data_1wjd_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 1wjd _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 . . . . . 0 N--CA 1.491 1.606 0 CA-C-O 121.428 0.633 . . . . 0.0 109.744 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 19.3 mt -72.67 -28.96 63.02 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.494 -0.754 . . . . 0.0 111.32 -178.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -61.89 -56.63 17.29 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 120.784 -1.198 . . . . 0.0 111.505 -178.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.91 -41.81 99.8 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.849 -1.3 . . . . 0.0 109.849 -179.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.409 ' O ' ' N ' ' A' ' 9' ' ' GLN . 95.2 mt -59.5 -40.04 80.83 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.522 0 O-C-N 121.496 -1.002 . . . . 0.0 110.682 -179.58 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 63.5 t0 -55.35 -49.12 73.07 Favored 'General case' 0 C--N 1.303 -1.418 0 C-N-CA 118.809 -1.156 . . . . 0.0 108.975 -179.285 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 58.8 mttp -69.08 -40.38 78.48 Favored 'General case' 0 C--N 1.302 -1.467 0 C-N-CA 119.077 -1.049 . . . . 0.0 109.313 178.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.22 -37.13 83.09 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.379 -0.826 . . . . 0.0 110.015 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.409 ' N ' ' O ' ' A' ' 5' ' ' ILE . 57.7 tt0 -59.08 -40.21 84.53 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.089 -1.007 . . . . 0.0 109.29 -179.165 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 -61.93 -42.32 98.97 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.004 -1.06 . . . . 0.0 109.102 179.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 26.8 tp10 -60.7 -40.54 92.6 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.119 -0.988 . . . . 0.0 108.746 179.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.543 ' O ' ' N ' ' A' ' 16' ' ' HIS . 14.4 t60 -59.89 -45.95 90.89 Favored 'General case' 0 C--N 1.304 -1.408 0 C-N-CA 119.37 -0.932 . . . . 0.0 109.711 179.67 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -61.16 -41.49 96.87 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.463 -0.773 . . . . 0.0 110.426 -179.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.3 mtpp -61.33 -38.24 86.18 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.366 -0.834 . . . . 0.0 112.7 -178.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -134.36 -2.04 2.82 Favored 'General case' 0 N--CA 1.507 2.398 0 O-C-N 120.867 -1.146 . . . . 0.0 112.414 -176.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.543 ' N ' ' O ' ' A' ' 12' ' ' HIS . 81.3 m-70 53.85 40.31 31.39 Favored 'General case' 0 N--CA 1.494 1.775 0 N-CA-C 107.214 -1.402 . . . . 0.0 107.214 -177.373 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 89.9 p -60.68 156.33 17.03 Favored 'General case' 0 C--N 1.305 -1.357 0 C-N-CA 120.161 -0.616 . . . . 0.0 110.282 -178.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -75.01 161.51 29.4 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.347 -0.846 . . . . 0.0 109.116 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 33.8 p-90 -57.87 -30.15 65.6 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.11 -0.993 . . . . 0.0 110.262 -179.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -62.49 -40.14 95.75 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.868 -1.145 . . . . 0.0 110.324 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.82 -48.87 57.38 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.218 -0.926 . . . . 0.0 109.358 -179.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 79.3 mtm -60.22 -39.75 87.75 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.386 -0.821 . . . . 0.0 109.852 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -59.15 -46.54 88.1 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.172 -0.955 . . . . 0.0 109.044 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 73.1 m -69.69 -37.39 76.61 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.452 -0.78 . . . . 0.0 110.44 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -60.56 -40.58 92.18 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.23 -0.918 . . . . 0.0 110.612 -178.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -111.61 4.99 19.07 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.44 -0.787 . . . . 0.0 109.701 -179.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.433 ' N ' ' O ' ' A' ' 23' ' ' ALA . 82.1 m-20 54.58 42.69 31.13 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.508 -0.745 . . . . 0.0 109.823 179.505 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 69.8 mt -107.63 151.45 41.06 Favored Pre-proline 0 N--CA 1.501 2.091 0 N-CA-C 108.493 -0.929 . . . . 0.0 108.493 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_endo -60.07 162.04 17.66 Favored 'Trans proline' 0 N--CA 1.494 1.534 0 C-N-CA 121.781 1.654 . . . . 0.0 111.177 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_endo -56.67 -34.45 95.87 Favored 'Trans proline' 0 C--N 1.303 -1.817 0 C-N-CA 122.233 1.955 . . . . 0.0 111.379 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 55.0 t -54.45 -49.75 63.1 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.633 0 O-C-N 121.054 -1.029 . . . . 0.0 110.171 -179.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 93.3 t -66.85 -48.6 79.3 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.745 0 C-N-CA 118.614 -1.234 . . . . 0.0 109.7 -179.195 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.46 -43.27 90.86 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.383 -0.823 . . . . 0.0 110.187 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.7 mtpm? -61.25 -36.99 81.5 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 120.836 -1.165 . . . . 0.0 110.473 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.3 tm-20 -61.77 -38.13 86.89 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 119.025 -1.07 . . . . 0.0 110.371 -178.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 77.5 mt -59.85 -40.23 82.15 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 120.745 -1.222 . . . . 0.0 108.387 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 90.4 t -64.1 -38.33 82.16 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.576 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 178.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.403 ' O ' ' OE1' ' A' ' 44' ' ' GLN . . . -60.21 -33.38 72.17 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.488 -0.757 . . . . 0.0 109.851 179.696 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 25.5 m -80.2 -25.92 39.44 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.936 -1.103 . . . . 0.0 109.435 -179.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 44.7 t -81.11 103.98 11.28 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.384 -0.822 . . . . 0.0 109.694 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -60.96 -30.88 70.51 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.474 -0.766 . . . . 0.0 110.828 -179.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -71.15 -41.19 70.75 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.817 -1.177 . . . . 0.0 110.676 -178.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 90.5 m -85.12 -23.53 28.4 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.953 -1.092 . . . . 0.0 109.656 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.403 ' OE1' ' O ' ' A' ' 38' ' ' ALA . 58.6 tt0 . . . . . 0 N--CA 1.493 1.715 0 O-C-N 121.235 -0.916 . . . . 0.0 110.144 -179.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 . . . . . 0 N--CA 1.492 1.631 0 CA-C-O 121.531 0.681 . . . . 0.0 109.861 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 20.8 mt -72.9 -28.51 62.52 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.39 -0.819 . . . . 0.0 111.148 -178.328 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -62.21 -56.97 13.35 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 120.765 -1.21 . . . . 0.0 111.51 -178.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.76 -41.28 99.87 Favored Glycine 0 N--CA 1.493 2.477 0 N-CA-C 109.847 -1.301 . . . . 0.0 109.847 -179.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . 0.427 ' O ' ' N ' ' B' ' 9' ' ' GLN . 93.6 mt -60.21 -39.94 82.15 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.598 0 O-C-N 121.387 -1.067 . . . . 0.0 110.633 -179.557 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 66.0 t0 -55.1 -49.15 72.43 Favored 'General case' 0 C--N 1.301 -1.538 0 C-N-CA 118.861 -1.136 . . . . 0.0 108.845 -179.195 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 58.6 mttp -69.59 -39.8 77.08 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.093 -1.005 . . . . 0.0 109.275 179.094 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.52 -37.36 82.66 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.456 -0.777 . . . . 0.0 109.905 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . 0.427 ' N ' ' O ' ' B' ' 5' ' ' ILE . 58.3 tt0 -59.06 -39.68 82.8 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.071 -1.018 . . . . 0.0 109.573 -179.007 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 78.4 tt0 -62.27 -42.91 99.75 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.152 -0.968 . . . . 0.0 108.827 179.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 26.4 tp10 -60.0 -40.43 89.2 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.253 -0.904 . . . . 0.0 108.867 179.253 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' HIS . . . . . 0.554 ' O ' ' N ' ' B' ' 16' ' ' HIS . 14.0 t60 -60.23 -45.6 92.67 Favored 'General case' 0 C--N 1.305 -1.365 0 C-N-CA 119.295 -0.962 . . . . 0.0 109.614 179.731 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.15 -41.98 97.73 Favored 'General case' 0 C--N 1.296 -1.738 0 O-C-N 121.414 -0.804 . . . . 0.0 110.313 -179.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 26.3 mtpp -61.09 -37.95 84.52 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.459 -0.776 . . . . 0.0 112.911 -178.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -134.63 -2.2 2.72 Favored 'General case' 0 N--CA 1.506 2.331 0 O-C-N 120.984 -1.073 . . . . 0.0 112.361 -176.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.554 ' N ' ' O ' ' B' ' 12' ' ' HIS . 81.7 m-70 54.09 40.46 31.67 Favored 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 107.14 -1.43 . . . . 0.0 107.14 -177.451 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 87.1 p -60.81 156.26 17.56 Favored 'General case' 0 C--N 1.303 -1.425 0 C-N-CA 119.966 -0.694 . . . . 0.0 110.314 -178.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 18.8 m120 -74.59 160.96 30.18 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.459 -0.775 . . . . 0.0 109.08 179.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 34.6 p-90 -57.4 -30.51 64.99 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.034 -1.041 . . . . 0.0 110.266 -179.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -61.92 -40.45 95.54 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.987 -1.071 . . . . 0.0 110.266 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.82 -48.75 57.83 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.176 -0.953 . . . . 0.0 109.591 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 79.0 mtm -60.55 -39.73 88.98 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.318 -0.864 . . . . 0.0 109.665 -179.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . 0.435 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -59.45 -46.0 90.01 Favored 'General case' 0 N--CA 1.491 1.592 0 C-N-CA 119.328 -0.949 . . . . 0.0 109.114 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 73.1 m -69.81 -37.43 76.26 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.409 -0.807 . . . . 0.0 110.428 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -60.46 -40.33 90.84 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.431 -0.793 . . . . 0.0 110.767 -178.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -111.76 5.0 18.84 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.516 -0.74 . . . . 0.0 109.847 -179.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . 0.435 ' N ' ' O ' ' B' ' 23' ' ' ALA . 81.1 m-20 54.52 42.32 31.4 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.508 -0.745 . . . . 0.0 109.859 179.602 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 68.4 mt -107.24 151.18 40.72 Favored Pre-proline 0 N--CA 1.502 2.152 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 179.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_endo -60.02 162.03 17.54 Favored 'Trans proline' 0 N--CA 1.493 1.487 0 C-N-CA 121.862 1.708 . . . . 0.0 111.185 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' PRO . . . . . 0.407 ' O ' ' N ' ' B' ' 34' ' ' LYS . 13.1 Cg_endo -56.39 -34.58 94.74 Favored 'Trans proline' 0 C--N 1.304 -1.777 0 C-N-CA 122.243 1.962 . . . . 0.0 111.43 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 55.7 t -54.41 -49.36 65.45 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.646 0 O-C-N 121.192 -0.943 . . . . 0.0 110.057 -179.201 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 92.6 t -67.39 -48.74 76.56 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.756 0 C-N-CA 118.633 -1.227 . . . . 0.0 109.644 -179.196 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.52 -42.92 91.48 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.383 -0.823 . . . . 0.0 110.278 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.407 ' N ' ' O ' ' B' ' 30' ' ' PRO . 10.7 mtpm? -61.41 -36.96 81.76 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.864 -1.148 . . . . 0.0 110.461 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 14.7 tm-20 -61.58 -38.62 88.19 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 120.952 -1.092 . . . . 0.0 110.349 -178.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 79.2 mt -59.25 -40.59 81.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 120.683 -1.261 . . . . 0.0 108.248 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 88.9 t -63.94 -38.64 82.91 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.587 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 178.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . 0.553 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -59.96 -33.48 71.98 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.551 -0.718 . . . . 0.0 109.798 179.607 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 25.4 m -80.18 -25.99 39.47 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.981 -1.074 . . . . 0.0 109.395 -179.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 47.4 t -81.12 104.51 11.65 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.335 -0.853 . . . . 0.0 109.667 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -61.37 -30.66 70.67 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.384 -0.822 . . . . 0.0 110.825 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 65.0 mttm -71.1 -40.97 71.19 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.647 -1.283 . . . . 0.0 110.76 -178.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 89.8 m -85.36 -23.7 27.91 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.922 -1.112 . . . . 0.0 109.645 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . 0.553 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 7.1 tt0 . . . . . 0 N--CA 1.492 1.666 0 O-C-N 121.124 -0.985 . . . . 0.0 110.014 -179.383 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 . . . . . 0 N--CA 1.487 1.414 0 CA-C-O 121.599 0.714 . . . . 0.0 109.686 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 33.7 mt -70.48 -38.5 74.4 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.466 -0.771 . . . . 0.0 111.367 -178.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -63.27 -46.96 84.37 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.744 -1.222 . . . . 0.0 110.274 -178.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.13 -47.53 72.14 Favored Glycine 0 N--CA 1.492 2.418 0 N-CA-C 109.651 -1.379 . . . . 0.0 109.651 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 81.6 mt -59.4 -39.78 79.96 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.71 0 O-C-N 121.61 -0.936 . . . . 0.0 111.14 -179.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -53.97 -46.7 71.73 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.723 -1.235 . . . . 0.0 109.148 -179.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -69.51 -43.23 73.5 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 120.884 -1.135 . . . . 0.0 109.726 178.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.31 -35.32 79.2 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.16 -0.963 . . . . 0.0 109.95 179.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -59.46 -39.66 84.35 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.142 -0.974 . . . . 0.0 109.256 -179.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -60.96 -40.86 94.94 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.199 -0.938 . . . . 0.0 109.051 179.025 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.4 tm-20 -61.71 -42.23 98.67 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.365 -0.834 . . . . 0.0 109.251 179.518 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.552 ' O ' ' N ' ' A' ' 16' ' ' HIS . 22.2 t60 -60.45 -45.51 93.43 Favored 'General case' 0 N--CA 1.486 1.362 0 O-C-N 121.086 -1.009 . . . . 0.0 109.747 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.13 -44.13 95.15 Favored 'General case' 0 C--N 1.298 -1.672 0 O-C-N 121.221 -0.924 . . . . 0.0 110.327 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.7 mtpp -62.11 -32.87 73.49 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.2 -0.938 . . . . 0.0 112.953 -178.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 27.4 m-85 -139.21 -1.65 1.72 Allowed 'General case' 0 N--CA 1.508 2.429 0 O-C-N 120.624 -1.298 . . . . 0.0 112.464 -177.105 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.552 ' N ' ' O ' ' A' ' 12' ' ' HIS . 89.7 m-70 54.76 39.71 31.52 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.498 -1.377 . . . . 0.0 107.317 -178.026 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 95.6 p -60.2 156.49 15.23 Favored 'General case' 0 C--N 1.303 -1.441 0 CA-C-O 121.39 0.614 . . . . 0.0 110.732 -178.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -74.1 155.88 38.0 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 179.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 39.5 p-90 -56.2 -29.83 61.46 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.958 -1.089 . . . . 0.0 109.561 -179.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 55.9 mtp180 -62.86 -40.23 96.85 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.834 -1.166 . . . . 0.0 109.868 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.21 -48.59 61.59 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.172 -0.955 . . . . 0.0 108.964 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 77.1 mtm -59.97 -41.46 92.02 Favored 'General case' 0 N--CA 1.49 1.53 0 C-N-CA 119.43 -0.908 . . . . 0.0 109.237 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -58.11 -46.0 86.31 Favored 'General case' 0 C--N 1.297 -1.701 0 C-N-CA 118.864 -1.134 . . . . 0.0 109.56 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 18.6 t -70.65 -38.02 73.78 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.345 -0.847 . . . . 0.0 111.212 -179.313 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -59.64 -43.05 93.99 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.075 -1.016 . . . . 0.0 109.907 -178.46 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -107.25 1.22 23.76 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.6 -0.687 . . . . 0.0 110.378 -179.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.453 ' N ' ' O ' ' A' ' 23' ' ' ALA . 66.9 t30 55.45 52.14 11.74 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.152 -0.967 . . . . 0.0 110.138 179.225 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 90.4 mt -118.61 150.59 48.46 Favored Pre-proline 0 N--CA 1.498 1.969 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 179.567 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_endo -59.97 149.27 85.08 Favored 'Trans proline' 0 N--CA 1.493 1.462 0 C-N-CA 121.934 1.756 . . . . 0.0 112.053 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.56 ' O ' ' N ' ' A' ' 34' ' ' LYS . 31.6 Cg_exo -43.24 -35.78 5.54 Favored 'Trans proline' 0 N--CA 1.486 1.047 0 C-N-CA 121.767 1.645 . . . . 0.0 112.029 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 88.8 t -52.8 -50.33 43.18 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.863 0 O-C-N 121.302 -0.874 . . . . 0.0 110.146 -178.099 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 47.4 t -67.1 -49.76 70.2 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.669 0 C-N-CA 118.578 -1.249 . . . . 0.0 109.495 -178.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.71 -41.87 91.81 Favored 'General case' 0 C--N 1.303 -1.448 0 C-N-CA 119.631 -0.828 . . . . 0.0 109.798 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.56 ' N ' ' O ' ' A' ' 30' ' ' PRO . 1.9 mmmp? -61.77 -38.11 86.82 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.005 -1.059 . . . . 0.0 110.233 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.6 tm-20 -61.15 -38.32 86.02 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 120.895 -1.128 . . . . 0.0 109.337 -178.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 81.2 mt -59.88 -39.88 81.25 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.342 0 O-C-N 121.092 -1.005 . . . . 0.0 109.678 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 71.2 t -63.43 -39.92 87.11 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.465 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 179.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.401 ' O ' ' OE1' ' A' ' 44' ' ' GLN . . . -61.1 -30.61 70.46 Favored 'General case' 0 C--N 1.301 -1.522 0 CA-C-O 121.378 0.609 . . . . 0.0 110.288 179.41 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.1 m -80.85 -20.5 42.24 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 120.824 -1.173 . . . . 0.0 109.965 -178.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 43.7 t -85.03 107.12 17.0 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.365 -0.834 . . . . 0.0 109.212 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -60.05 -32.59 71.07 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.348 -0.845 . . . . 0.0 110.259 -179.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 58.5 mttm -70.9 -42.91 69.35 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 120.989 -1.069 . . . . 0.0 110.935 -178.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 94.0 m -86.34 -23.68 26.13 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.447 -1.408 . . . . 0.0 109.754 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.401 ' OE1' ' O ' ' A' ' 38' ' ' ALA . 13.9 tt0 . . . . . 0 C--N 1.3 -1.574 0 O-C-N 121.157 -0.965 . . . . 0.0 109.193 -179.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 121.319 0.581 . . . . 0.0 109.942 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 34.7 mt -70.54 -37.6 74.07 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.367 -0.833 . . . . 0.0 111.583 -178.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -63.94 -46.32 85.25 Favored 'General case' 0 C--N 1.298 -1.632 0 O-C-N 120.838 -1.164 . . . . 0.0 110.371 -178.517 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.49 -47.32 63.39 Favored Glycine 0 N--CA 1.492 2.418 0 N-CA-C 109.469 -1.452 . . . . 0.0 109.469 -179.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . 0.409 ' O ' ' N ' ' B' ' 9' ' ' GLN . 82.3 mt -59.01 -39.35 78.12 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.559 0 O-C-N 121.557 -0.967 . . . . 0.0 110.331 179.791 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 79.5 m-20 -54.2 -47.52 72.0 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 118.424 -1.31 . . . . 0.0 108.951 -179.108 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -69.36 -41.69 76.24 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.904 -1.122 . . . . 0.0 110.051 179.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.7 -35.44 77.19 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.067 -1.021 . . . . 0.0 109.582 179.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . 0.409 ' N ' ' O ' ' B' ' 5' ' ' ILE . 55.3 tt0 -57.83 -40.67 80.59 Favored 'General case' 0 C--N 1.302 -1.458 0 C-N-CA 119.171 -1.012 . . . . 0.0 109.237 -179.581 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -60.16 -42.0 93.97 Favored 'General case' 0 N--CA 1.491 1.575 0 C-N-CA 119.602 -0.839 . . . . 0.0 109.154 178.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -60.51 -41.36 94.18 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 120.774 -1.204 . . . . 0.0 109.215 179.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' HIS . . . . . 0.568 ' O ' ' N ' ' B' ' 16' ' ' HIS . 20.6 t60 -60.9 -46.22 91.5 Favored 'General case' 0 C--N 1.3 -1.55 0 C-N-CA 119.404 -0.919 . . . . 0.0 110.083 -179.673 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -60.22 -41.14 92.42 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.229 -0.919 . . . . 0.0 110.329 -179.309 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -64.34 -33.03 74.91 Favored 'General case' 0 C--N 1.297 -1.682 0 O-C-N 121.303 -0.873 . . . . 0.0 112.859 -178.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -139.62 -1.92 1.61 Allowed 'General case' 0 N--CA 1.508 2.46 0 O-C-N 120.764 -1.21 . . . . 0.0 112.383 -176.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.568 ' N ' ' O ' ' B' ' 12' ' ' HIS . 90.0 m-70 55.31 40.81 31.6 Favored 'General case' 0 N--CA 1.491 1.582 0 N-CA-C 106.932 -1.507 . . . . 0.0 106.932 -178.076 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 92.8 p -61.08 155.35 20.62 Favored 'General case' 0 N--CA 1.492 1.664 0 CA-C-O 121.581 0.705 . . . . 0.0 110.576 -178.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -73.21 157.57 36.89 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.484 -0.76 . . . . 0.0 108.981 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 46.0 p-90 -57.31 -29.89 64.29 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.837 -1.164 . . . . 0.0 109.535 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 55.6 mtp180 -61.97 -40.44 95.6 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.015 -1.053 . . . . 0.0 109.829 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.44 -48.49 60.77 Favored 'General case' 0 C--N 1.302 -1.493 0 C-N-CA 119.253 -0.979 . . . . 0.0 109.282 179.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 78.5 mtm -60.44 -40.84 92.56 Favored 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 119.441 -0.903 . . . . 0.0 109.746 -179.188 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -59.05 -45.98 89.4 Favored 'General case' 0 C--N 1.295 -1.797 0 O-C-N 120.992 -1.067 . . . . 0.0 109.539 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 23.2 t -70.38 -38.84 74.8 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.181 -0.95 . . . . 0.0 110.685 -179.534 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -58.91 -42.27 89.25 Favored 'General case' 0 N--CA 1.494 1.741 0 C-N-CA 119.468 -0.893 . . . . 0.0 110.334 -178.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -107.89 1.1 22.47 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.422 -0.799 . . . . 0.0 109.997 -179.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . 0.444 ' N ' ' O ' ' B' ' 23' ' ' ALA . 67.1 t30 55.8 53.12 9.79 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.126 -0.983 . . . . 0.0 110.083 179.74 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 86.6 mt -119.37 151.42 51.24 Favored Pre-proline 0 N--CA 1.501 2.081 0 N-CA-C 108.188 -1.041 . . . . 0.0 108.188 179.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_endo -60.69 150.71 80.96 Favored 'Trans proline' 0 N--CA 1.493 1.447 0 C-N-CA 121.781 1.654 . . . . 0.0 111.933 -179.353 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' PRO . . . . . 0.5 ' O ' ' N ' ' B' ' 34' ' ' LYS . 34.0 Cg_exo -43.81 -35.7 7.1 Favored 'Trans proline' 0 C--N 1.312 -1.369 0 C-N-CA 121.861 1.707 . . . . 0.0 111.722 179.612 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 86.0 t -53.02 -50.67 43.73 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.731 0 O-C-N 121.142 -0.974 . . . . 0.0 110.454 -178.072 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 46.5 t -67.25 -49.3 73.65 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.642 0 C-N-CA 118.947 -1.101 . . . . 0.0 109.118 -179.131 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.86 -42.86 89.87 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.029 -1.044 . . . . 0.0 110.15 179.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.5 ' N ' ' O ' ' B' ' 30' ' ' PRO . 2.0 mmmp? -61.56 -38.76 88.64 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 120.987 -1.07 . . . . 0.0 110.207 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 14.6 tm-20 -60.19 -38.32 82.9 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 119.07 -1.052 . . . . 0.0 109.115 -179.036 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 86.3 mt -59.88 -40.27 82.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 120.965 -1.085 . . . . 0.0 109.698 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 77.9 t -62.99 -39.44 85.21 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.658 0 O-C-N 120.93 -1.106 . . . . 0.0 108.673 179.546 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . 0.552 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -61.81 -32.1 72.38 Favored 'General case' 0 N--CA 1.49 1.551 0 CA-C-O 121.404 0.621 . . . . 0.0 109.591 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 6.3 m -78.09 -23.98 47.77 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.153 -0.967 . . . . 0.0 110.356 -179.01 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 40.4 t -82.94 107.3 15.45 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.1 -1.0 . . . . 0.0 109.841 179.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -59.97 -31.31 69.77 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.388 -0.82 . . . . 0.0 110.798 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 62.7 mttm -72.16 -40.75 67.75 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 120.898 -1.126 . . . . 0.0 110.776 -178.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 84.3 m -89.0 -23.47 22.61 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 120.774 -1.203 . . . . 0.0 109.333 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . 0.552 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 51.0 tt0 . . . . . 0 C--N 1.3 -1.55 0 O-C-N 121.333 -0.854 . . . . 0.0 109.645 -179.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 . . . . . 0 N--CA 1.491 1.586 0 CA-C-O 121.358 0.599 . . . . 0.0 110.173 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 33.1 mt -72.47 -43.46 63.68 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.269 -0.894 . . . . 0.0 111.463 -177.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -66.9 -48.26 69.26 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.989 -1.069 . . . . 0.0 111.06 -178.126 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.75 -47.34 90.95 Favored Glycine 0 N--CA 1.494 2.5 0 N-CA-C 109.892 -1.283 . . . . 0.0 109.892 -179.294 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.492 ' O ' ' N ' ' A' ' 9' ' ' GLN . 87.1 mt -59.24 -39.87 79.82 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.511 0 O-C-N 121.345 -1.091 . . . . 0.0 110.116 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 -53.59 -43.6 68.71 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 120.81 -1.181 . . . . 0.0 109.097 -179.31 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -69.7 -45.28 68.61 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.965 -1.084 . . . . 0.0 108.985 178.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.33 -33.83 76.61 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.39 -0.819 . . . . 0.0 109.304 179.418 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.492 ' N ' ' O ' ' A' ' 5' ' ' ILE . 53.0 tt0 -58.71 -40.08 82.66 Favored 'General case' 0 C--N 1.302 -1.485 0 C-N-CA 119.367 -0.933 . . . . 0.0 109.158 -179.72 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 34.4 tp10 -62.34 -42.13 99.14 Favored 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 119.281 -0.968 . . . . 0.0 108.734 179.141 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 35.6 tp10 -60.49 -41.84 95.08 Favored 'General case' 0 N--CA 1.492 1.643 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 179.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.557 ' O ' ' N ' ' A' ' 16' ' ' HIS . 15.0 t60 -60.88 -47.8 84.72 Favored 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 119.705 -0.798 . . . . 0.0 109.909 179.635 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 32.9 tp10 -60.41 -41.35 93.73 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.287 -0.883 . . . . 0.0 110.029 -179.024 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 56.5 mtpt -60.73 -35.81 77.29 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.326 -0.859 . . . . 0.0 112.753 -178.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -136.38 -3.86 2.13 Favored 'General case' 0 N--CA 1.508 2.473 0 O-C-N 120.772 -1.205 . . . . 0.0 112.759 -177.29 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.557 ' N ' ' O ' ' A' ' 12' ' ' HIS . 87.5 m-70 54.54 43.61 30.01 Favored 'General case' 0 N--CA 1.498 1.955 0 N-CA-C 107.421 -1.326 . . . . 0.0 107.421 -177.432 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 87.3 p -64.95 155.31 34.85 Favored 'General case' 0 N--CA 1.486 1.331 0 CA-C-O 121.611 0.719 . . . . 0.0 110.626 -178.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -71.15 159.13 35.24 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.22 -0.925 . . . . 0.0 108.679 179.338 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 37.8 p-90 -56.91 -29.83 63.4 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.005 -1.059 . . . . 0.0 111.214 -178.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 62.1 mtp180 -61.56 -40.8 96.02 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.889 -1.132 . . . . 0.0 110.334 -179.635 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.54 -49.06 65.07 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.155 -0.965 . . . . 0.0 109.389 -179.602 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 78.3 mtm -60.23 -41.13 92.45 Favored 'General case' 0 C--N 1.303 -1.452 0 C-N-CA 119.588 -0.845 . . . . 0.0 109.386 179.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.51 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -58.76 -47.07 85.97 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.413 -0.804 . . . . 0.0 108.964 179.799 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 35.7 t -69.71 -38.22 76.84 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.594 -0.691 . . . . 0.0 110.464 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -60.59 -40.07 90.4 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.23 -0.919 . . . . 0.0 110.014 -179.012 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -108.93 -0.06 19.88 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.435 -0.79 . . . . 0.0 109.871 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.51 ' N ' ' O ' ' A' ' 23' ' ' ALA . 18.4 t-20 56.21 47.44 19.38 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.277 -0.889 . . . . 0.0 109.264 -179.802 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 83.4 mt -113.64 153.04 45.93 Favored Pre-proline 0 N--CA 1.501 2.086 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -60.13 163.27 14.69 Favored 'Trans proline' 0 C--N 1.314 -1.261 0 C-N-CA 121.449 1.433 . . . . 0.0 110.819 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.445 ' O ' ' N ' ' A' ' 34' ' ' LYS . 18.5 Cg_endo -58.96 -32.23 97.1 Favored 'Trans proline' 0 C--N 1.296 -2.2 0 C-N-CA 122.223 1.949 . . . . 0.0 111.743 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 49.3 t -56.56 -47.71 81.57 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.693 0 O-C-N 120.715 -1.241 . . . . 0.0 109.858 -178.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 57.8 t -67.46 -50.13 64.76 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.688 0 C-N-CA 118.852 -1.139 . . . . 0.0 108.976 -179.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.39 -46.15 84.55 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.328 -0.857 . . . . 0.0 110.301 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 30' ' ' PRO . 10.2 mtpm? -60.88 -36.1 78.34 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.776 -1.203 . . . . 0.0 109.88 179.604 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -60.87 -38.66 86.35 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 119.062 -1.055 . . . . 0.0 110.358 -178.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 48.3 mt -59.86 -39.97 81.48 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 120.921 -1.112 . . . . 0.0 108.335 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 95.5 t -61.18 -39.92 84.12 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 178.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.79 -32.05 70.26 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.54 -0.725 . . . . 0.0 109.775 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.9 m -78.88 -29.1 44.21 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.194 -0.941 . . . . 0.0 109.229 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 51.2 t -81.19 102.09 10.1 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.21 -0.931 . . . . 0.0 109.447 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -60.89 -31.24 70.73 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.213 -0.929 . . . . 0.0 110.213 -179.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp -67.86 -40.76 83.6 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.283 -0.886 . . . . 0.0 110.401 -178.496 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 88.4 m -86.67 -28.72 22.98 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.757 -1.215 . . . . 0.0 110.153 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 47.2 tt0 . . . . . 0 N--CA 1.495 1.804 0 O-C-N 121.002 -1.061 . . . . 0.0 110.867 -178.428 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 . . . . . 0 N--CA 1.49 1.561 0 CA-C-O 121.379 0.609 . . . . 0.0 110.169 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 30.7 mt -72.27 -43.84 63.7 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.323 -0.86 . . . . 0.0 111.558 -178.032 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -66.65 -47.73 71.61 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.837 -1.164 . . . . 0.0 111.112 -178.101 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.33 -47.27 90.82 Favored Glycine 0 N--CA 1.492 2.419 0 N-CA-C 109.918 -1.273 . . . . 0.0 109.918 -179.247 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . 0.401 ' O ' ' N ' ' B' ' 9' ' ' GLN . 86.8 mt -59.55 -39.05 78.34 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.516 0 O-C-N 121.595 -0.944 . . . . 0.0 110.209 -179.775 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -53.88 -43.44 69.61 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 120.682 -1.261 . . . . 0.0 109.243 -179.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -69.79 -45.1 68.72 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.072 -1.017 . . . . 0.0 108.983 179.124 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.3 -34.38 77.85 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.444 -0.785 . . . . 0.0 109.14 179.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . 0.401 ' N ' ' O ' ' B' ' 5' ' ' ILE . 53.4 tt0 -58.52 -40.3 82.51 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.277 -0.89 . . . . 0.0 109.075 -179.683 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 36.0 tp10 -62.06 -42.36 99.11 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.036 -1.04 . . . . 0.0 108.857 178.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 33.7 tp10 -60.77 -41.52 95.66 Favored 'General case' 0 N--CA 1.491 1.576 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 179.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' HIS . . . . . 0.579 ' O ' ' N ' ' B' ' 16' ' ' HIS . 14.9 t60 -60.82 -48.28 82.54 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.294 -0.879 . . . . 0.0 109.988 179.379 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 33.4 tp10 -60.11 -41.63 92.98 Favored 'General case' 0 C--N 1.297 -1.715 0 O-C-N 121.252 -0.905 . . . . 0.0 110.316 -178.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -60.9 -34.71 75.09 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.423 -0.798 . . . . 0.0 112.571 -178.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -136.95 -4.02 1.98 Allowed 'General case' 0 N--CA 1.512 2.636 0 O-C-N 120.721 -1.237 . . . . 0.0 112.819 -177.157 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.579 ' N ' ' O ' ' B' ' 12' ' ' HIS . 87.8 m-70 54.37 43.39 30.53 Favored 'General case' 0 N--CA 1.497 1.904 0 N-CA-C 107.529 -1.286 . . . . 0.0 107.529 -177.421 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 92.2 p -64.47 155.24 33.37 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.624 -0.672 . . . . 0.0 110.536 -178.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -71.61 159.56 34.21 Favored 'General case' 0 N--CA 1.489 1.512 0 N-CA-C 108.766 -0.828 . . . . 0.0 108.766 179.211 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 34.7 p-90 -56.98 -29.92 63.68 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.023 -1.048 . . . . 0.0 110.929 -178.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 61.4 mtp180 -61.68 -41.4 97.52 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.619 -1.301 . . . . 0.0 110.393 -179.593 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.83 -49.24 66.38 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.211 -0.931 . . . . 0.0 109.279 -179.38 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 78.4 mtm -60.1 -40.92 91.32 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 119.662 -0.815 . . . . 0.0 109.524 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . 0.524 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -58.88 -47.04 86.33 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.46 -0.775 . . . . 0.0 109.174 179.738 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 31.9 t -69.85 -38.28 76.4 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.459 -0.775 . . . . 0.0 110.436 179.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -60.06 -40.51 89.72 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.016 -1.053 . . . . 0.0 109.961 -179.056 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -109.05 -0.1 19.65 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.451 -0.781 . . . . 0.0 109.947 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . 0.524 ' N ' ' O ' ' B' ' 23' ' ' ALA . 17.6 t-20 56.24 47.03 20.15 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.312 -0.867 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 83.6 mt -112.97 153.4 45.26 Favored Pre-proline 0 N--CA 1.502 2.168 0 N-CA-C 108.361 -0.977 . . . . 0.0 108.361 179.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -60.21 163.0 15.43 Favored 'Trans proline' 0 C--N 1.314 -1.268 0 C-N-CA 121.545 1.496 . . . . 0.0 110.991 179.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' PRO . . . . . 0.421 ' O ' ' N ' ' B' ' 34' ' ' LYS . 19.2 Cg_endo -58.84 -32.2 96.77 Favored 'Trans proline' 0 C--N 1.3 -2.0 0 C-N-CA 122.171 1.914 . . . . 0.0 111.563 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 61.9 t -56.47 -48.29 80.39 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.716 0 O-C-N 121.035 -1.041 . . . . 0.0 109.795 -178.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 60.3 t -67.2 -49.96 67.7 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.711 0 C-N-CA 118.786 -1.165 . . . . 0.0 109.052 -179.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.15 -45.92 86.32 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.316 -0.865 . . . . 0.0 110.124 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.421 ' N ' ' O ' ' B' ' 30' ' ' PRO . 10.3 mtpm? -61.15 -36.19 79.12 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.767 -1.208 . . . . 0.0 109.849 179.744 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.0 tm-20 -60.86 -39.05 87.7 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.005 -1.06 . . . . 0.0 110.065 -178.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 49.3 mt -59.12 -40.51 81.12 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 120.795 -1.191 . . . . 0.0 108.65 179.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 84.3 t -61.37 -39.84 84.15 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 N-CA-C 108.081 -1.081 . . . . 0.0 108.081 179.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . 0.535 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -59.89 -32.48 70.78 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.555 -0.716 . . . . 0.0 109.501 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 49.6 m -78.39 -28.8 47.0 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.14 -0.975 . . . . 0.0 109.373 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 53.1 t -81.42 102.15 10.32 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.295 -0.878 . . . . 0.0 109.433 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -61.14 -31.16 70.88 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.342 -0.849 . . . . 0.0 110.23 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 26.9 mtpp -68.35 -39.96 81.66 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.081 -1.012 . . . . 0.0 110.518 -178.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 88.9 m -86.95 -29.06 22.34 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 120.931 -1.105 . . . . 0.0 110.252 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . 0.535 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 6.3 tt0 . . . . . 0 N--CA 1.496 1.851 0 O-C-N 121.049 -1.032 . . . . 0.0 111.003 -178.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 . . . . . 0 N--CA 1.491 1.613 0 CA-C-O 121.291 0.567 . . . . 0.0 110.253 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 14.6 mt -70.76 -37.95 73.43 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.372 -0.83 . . . . 0.0 111.747 -177.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 85.6 m-20 -64.33 -45.5 87.57 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.612 -1.305 . . . . 0.0 111.643 -177.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.13 -44.82 59.11 Favored Glycine 0 N--CA 1.492 2.393 0 N-CA-C 109.768 -1.333 . . . . 0.0 109.768 -179.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.464 ' O ' ' N ' ' A' ' 9' ' ' GLN . 94.7 mt -60.05 -40.28 82.77 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.773 0 O-C-N 121.628 -0.925 . . . . 0.0 110.888 -179.371 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -57.16 -47.97 79.87 Favored 'General case' 0 C--N 1.3 -1.571 0 C-N-CA 118.549 -1.26 . . . . 0.0 108.836 -179.452 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -68.8 -43.56 75.36 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.371 -0.831 . . . . 0.0 109.037 178.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.1 -36.09 83.21 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.353 -0.842 . . . . 0.0 109.911 179.327 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.464 ' N ' ' O ' ' A' ' 5' ' ' ILE . 62.0 tt0 -57.9 -40.81 81.22 Favored 'General case' 0 C--N 1.301 -1.523 0 C-N-CA 119.091 -1.044 . . . . 0.0 108.988 -179.022 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -60.26 -41.91 94.25 Favored 'General case' 0 C--N 1.297 -1.68 0 O-C-N 120.81 -1.181 . . . . 0.0 109.168 179.201 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -60.04 -40.37 89.17 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.303 -0.873 . . . . 0.0 108.729 179.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.551 ' O ' ' N ' ' A' ' 16' ' ' HIS . 15.3 t60 -61.67 -45.38 94.26 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.029 -1.044 . . . . 0.0 110.313 179.546 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -61.38 -43.79 98.26 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.041 -1.037 . . . . 0.0 110.96 -179.145 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 54.5 mtpt -61.42 -28.99 69.66 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.577 -0.702 . . . . 0.0 112.635 -178.331 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -139.77 -9.13 1.21 Allowed 'General case' 0 N--CA 1.506 2.35 0 O-C-N 120.818 -1.176 . . . . 0.0 112.154 -177.077 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.551 ' N ' ' O ' ' A' ' 12' ' ' HIS . 92.6 m-70 55.71 42.3 29.45 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.403 -1.436 . . . . 0.0 107.244 -177.707 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 84.8 p -65.04 160.26 21.35 Favored 'General case' 0 N--CA 1.484 1.23 0 O-C-N 121.351 -0.843 . . . . 0.0 110.375 -178.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -74.17 158.02 34.9 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.38 -0.825 . . . . 0.0 109.36 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 28.1 p-90 -57.14 -29.04 63.26 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.137 -0.977 . . . . 0.0 109.778 -179.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 77.6 mtm180 -64.24 -39.89 94.89 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.92 -1.113 . . . . 0.0 109.848 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.56 -50.0 60.56 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.642 -0.661 . . . . 0.0 109.396 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 79.0 mtm -60.67 -40.14 90.99 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.292 -0.88 . . . . 0.0 110.399 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -59.12 -44.42 92.01 Favored 'General case' 0 C--N 1.301 -1.538 0 C-N-CA 119.365 -0.934 . . . . 0.0 109.305 -179.282 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 13.7 m -71.5 -36.99 71.3 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.408 -0.807 . . . . 0.0 110.211 179.395 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -60.65 -39.99 90.4 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.321 -0.862 . . . . 0.0 110.316 -178.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -110.74 0.01 17.22 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.623 -0.673 . . . . 0.0 110.305 -179.259 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.442 ' N ' ' O ' ' A' ' 23' ' ' ALA . 11.3 m120 55.85 49.61 15.7 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.263 -0.898 . . . . 0.0 109.981 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 86.9 mt -116.76 153.49 49.24 Favored Pre-proline 0 N--CA 1.504 2.242 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -59.46 161.43 17.29 Favored 'Trans proline' 0 N--CA 1.492 1.418 0 C-N-CA 121.68 1.587 . . . . 0.0 111.496 179.311 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_endo -56.62 -32.1 89.26 Favored 'Trans proline' 0 C--N 1.304 -1.815 0 C-N-CA 122.589 2.193 . . . . 0.0 111.52 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 46.6 t -58.26 -49.65 81.09 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.843 0 O-C-N 120.872 -1.142 . . . . 0.0 110.1 -178.451 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 59.7 t -66.28 -47.26 84.88 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.739 0 C-N-CA 118.646 -1.221 . . . . 0.0 109.203 -178.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.48 -48.13 76.37 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.158 -0.964 . . . . 0.0 109.984 179.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.1 mtpm? -61.45 -35.42 77.56 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.089 -1.007 . . . . 0.0 110.726 -179.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.8 tm-20 -60.25 -38.39 83.3 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 120.979 -1.076 . . . . 0.0 109.466 -178.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 72.0 mt -60.46 -39.68 81.89 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 120.929 -1.107 . . . . 0.0 108.668 179.165 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 94.8 t -62.96 -38.22 81.39 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.61 0 O-C-N 121.492 -0.755 . . . . 0.0 108.994 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.26 -31.62 70.39 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.507 -0.746 . . . . 0.0 109.708 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.4 m -81.56 -23.06 37.4 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.149 -0.969 . . . . 0.0 110.875 -178.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 43.7 t -82.78 104.27 12.89 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.088 -1.008 . . . . 0.0 108.956 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -60.24 -30.38 69.38 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.398 -0.814 . . . . 0.0 110.405 -179.397 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -71.26 -40.17 71.13 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.164 -0.96 . . . . 0.0 111.404 -178.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 90.0 m -86.77 -17.97 32.23 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.001 -1.062 . . . . 0.0 110.138 -179.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 . . . . . 0 N--CA 1.493 1.676 0 O-C-N 120.954 -1.091 . . . . 0.0 108.786 -179.777 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 . . . . . 0 N--CA 1.49 1.559 0 CA-C-O 121.311 0.577 . . . . 0.0 110.011 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 13.8 mt -74.05 -35.66 64.3 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.543 -0.723 . . . . 0.0 111.96 -178.054 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -66.19 -44.07 85.01 Favored 'General case' 0 C--N 1.297 -1.686 0 O-C-N 120.828 -1.17 . . . . 0.0 111.046 -177.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.92 -44.72 45.61 Favored Glycine 0 N--CA 1.488 2.151 0 N-CA-C 109.385 -1.486 . . . . 0.0 109.385 -179.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 94.3 mt -60.07 -40.03 82.1 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.733 0 O-C-N 121.618 -0.93 . . . . 0.0 110.699 -179.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -56.39 -48.46 76.84 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 120.524 -1.36 . . . . 0.0 109.079 -179.419 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 37.1 ttmt -68.11 -43.74 77.72 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.066 -1.021 . . . . 0.0 108.914 178.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.81 -36.86 85.71 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.312 -0.868 . . . . 0.0 109.828 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 60.8 tt0 -56.73 -40.54 75.89 Favored 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 119.631 -0.828 . . . . 0.0 109.375 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.73 -42.89 98.21 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.037 -1.039 . . . . 0.0 109.165 179.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -60.18 -39.89 88.05 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' HIS . . . . . 0.552 ' O ' ' N ' ' B' ' 16' ' ' HIS . 15.1 t60 -62.56 -44.66 95.79 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.141 -0.974 . . . . 0.0 109.852 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -62.08 -44.23 97.13 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.167 -0.958 . . . . 0.0 110.352 -179.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 57.0 mtpt -60.14 -30.17 69.12 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.418 -0.801 . . . . 0.0 113.101 -177.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -139.59 -8.51 1.26 Allowed 'General case' 0 N--CA 1.507 2.419 0 O-C-N 120.91 -1.119 . . . . 0.0 112.248 -176.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.552 ' N ' ' O ' ' B' ' 12' ' ' HIS . 92.7 m-70 55.22 43.06 29.88 Favored 'General case' 0 N--CA 1.497 1.924 0 N-CA-C 107.452 -1.314 . . . . 0.0 107.452 -177.169 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 84.7 p -64.55 159.46 21.65 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 121.48 -0.762 . . . . 0.0 110.267 -178.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -73.62 157.24 37.0 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.461 -0.774 . . . . 0.0 109.543 179.389 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 24.4 p-90 -56.17 -30.09 61.74 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.053 -1.029 . . . . 0.0 110.525 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 81.7 mtm180 -63.83 -40.3 96.27 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.855 -1.153 . . . . 0.0 109.618 179.688 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.17 -49.47 64.56 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.41 -0.806 . . . . 0.0 109.751 -179.473 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 77.9 mtm -60.18 -39.53 86.81 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.483 -0.761 . . . . 0.0 109.689 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . 0.502 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -59.51 -46.76 87.91 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.248 -0.908 . . . . 0.0 109.619 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 15.2 m -69.97 -37.21 75.7 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.095 -1.003 . . . . 0.0 109.838 179.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -60.64 -40.83 93.41 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.372 -0.83 . . . . 0.0 110.548 -178.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -110.08 -0.14 18.13 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 121.425 -0.797 . . . . 0.0 109.851 179.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . 0.502 ' N ' ' O ' ' B' ' 23' ' ' ALA . 12.7 m120 56.25 49.09 15.95 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.913 -1.117 . . . . 0.0 109.547 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 88.6 mt -115.91 152.74 47.88 Favored Pre-proline 0 N--CA 1.493 1.714 0 N-CA-C 107.873 -1.158 . . . . 0.0 107.873 179.424 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -59.52 162.79 14.15 Favored 'Trans proline' 0 C--N 1.311 -1.424 0 C-N-CA 121.536 1.491 . . . . 0.0 111.554 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -57.9 -32.06 94.16 Favored 'Trans proline' 0 C--N 1.304 -1.795 0 C-N-CA 122.368 2.045 . . . . 0.0 111.862 -179.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 48.6 t -57.97 -48.91 82.92 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.783 0 O-C-N 121.053 -1.029 . . . . 0.0 110.097 -178.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 59.5 t -66.07 -47.96 83.17 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.615 0 C-N-CA 118.765 -1.174 . . . . 0.0 109.406 -178.527 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.73 -47.23 79.04 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.301 -0.874 . . . . 0.0 109.971 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 10.4 mtpm? -61.33 -36.48 80.27 Favored 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 119.29 -0.964 . . . . 0.0 110.275 -179.349 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 -60.09 -38.68 83.65 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.009 -1.057 . . . . 0.0 109.76 -178.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 78.2 mt -59.76 -40.37 82.31 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.412 0 O-C-N 120.963 -1.086 . . . . 0.0 108.797 179.187 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 94.5 t -62.31 -39.22 83.37 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.477 0 O-C-N 121.564 -0.71 . . . . 0.0 109.203 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . 0.485 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -59.66 -32.12 70.17 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.411 -0.806 . . . . 0.0 109.707 179.766 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 57.9 m -80.82 -22.75 39.73 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.293 -0.88 . . . . 0.0 110.508 -179.397 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 44.3 t -82.91 103.58 12.49 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.817 -1.177 . . . . 0.0 109.513 -179.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -60.12 -30.13 69.07 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.097 -1.002 . . . . 0.0 110.416 -179.455 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -71.31 -40.47 70.79 Favored 'General case' 0 N--CA 1.495 1.818 0 C-N-CA 119.203 -0.999 . . . . 0.0 110.931 -178.09 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 97.8 m -85.66 -19.67 30.58 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 120.739 -1.226 . . . . 0.0 109.857 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . 0.485 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 30.0 tt0 . . . . . 0 C--N 1.298 -1.661 0 O-C-N 121.169 -0.957 . . . . 0.0 109.397 -179.147 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 121.473 0.654 . . . . 0.0 109.881 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 15.3 mt -69.98 -34.7 73.71 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.107 -0.996 . . . . 0.0 111.746 -178.287 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -61.51 -46.3 90.56 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.678 -1.264 . . . . 0.0 110.621 -178.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.63 -46.4 31.56 Favored Glycine 0 N--CA 1.494 2.515 0 N-CA-C 109.416 -1.474 . . . . 0.0 109.416 179.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.463 ' O ' ' N ' ' A' ' 9' ' ' GLN . 78.2 mt -58.69 -39.98 78.04 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.512 0 O-C-N 121.501 -0.999 . . . . 0.0 109.798 -179.702 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 58.7 t0 -56.61 -46.46 80.88 Favored 'General case' 0 C--N 1.301 -1.503 0 C-N-CA 118.635 -1.226 . . . . 0.0 109.096 -179.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -69.51 -43.22 73.52 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.062 -1.024 . . . . 0.0 109.159 178.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.15 -36.95 84.47 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.237 -0.914 . . . . 0.0 109.579 179.075 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.463 ' N ' ' O ' ' A' ' 5' ' ' ILE . 60.4 tt0 -55.62 -40.43 72.11 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.273 -0.892 . . . . 0.0 109.052 -179.367 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 80.0 tt0 -60.02 -41.13 91.53 Favored 'General case' 0 C--N 1.304 -1.387 0 C-N-CA 119.381 -0.927 . . . . 0.0 108.986 179.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -61.47 -39.72 91.92 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.147 -0.97 . . . . 0.0 108.923 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.534 ' O ' ' N ' ' A' ' 16' ' ' HIS . 15.2 t60 -61.73 -43.77 98.2 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.098 -1.001 . . . . 0.0 109.777 179.28 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -60.16 -44.26 95.16 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.157 -0.964 . . . . 0.0 110.166 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 46.8 mtmt -61.5 -32.02 72.04 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.418 -0.802 . . . . 0.0 112.964 -178.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -138.27 -4.47 1.68 Allowed 'General case' 0 N--CA 1.506 2.327 0 O-C-N 120.541 -1.349 . . . . 0.0 112.845 -176.329 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.534 ' N ' ' O ' ' A' ' 12' ' ' HIS . 89.8 m-70 53.87 41.24 32.11 Favored 'General case' 0 N--CA 1.493 1.713 0 N-CA-C 107.578 -1.268 . . . . 0.0 107.578 -177.67 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 89.1 p -60.84 155.44 19.58 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.643 -0.661 . . . . 0.0 111.122 -178.34 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -71.32 159.21 34.99 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 108.863 -0.792 . . . . 0.0 108.863 179.235 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 41.8 p-90 -58.59 -30.79 67.47 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.158 -0.964 . . . . 0.0 110.385 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -63.45 -41.45 98.64 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.841 -1.162 . . . . 0.0 109.889 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.71 -47.79 71.26 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.316 -0.865 . . . . 0.0 109.883 -179.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 77.7 mtm -61.09 -39.47 90.03 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.104 -0.997 . . . . 0.0 109.331 179.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.521 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -57.35 -48.25 79.5 Favored 'General case' 0 C--N 1.303 -1.424 0 C-N-CA 119.552 -0.859 . . . . 0.0 109.242 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 20.4 t -70.05 -36.4 74.99 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.402 -0.811 . . . . 0.0 110.42 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -60.57 -40.23 90.92 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.25 -0.906 . . . . 0.0 110.174 -178.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -113.45 2.49 15.43 Favored 'General case' 0 N--CA 1.505 2.278 0 O-C-N 121.35 -0.844 . . . . 0.0 110.305 179.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.521 ' N ' ' O ' ' A' ' 23' ' ' ALA . 62.7 m-20 55.62 50.34 14.64 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.296 -0.877 . . . . 0.0 110.123 179.785 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 75.3 mt -115.49 151.85 46.46 Favored Pre-proline 0 N--CA 1.503 2.211 0 O-C-N 121.334 -0.854 . . . . 0.0 108.761 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_endo -61.16 150.83 82.64 Favored 'Trans proline' 0 N--CA 1.493 1.489 0 C-N-CA 121.938 1.759 . . . . 0.0 111.882 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -43.7 -41.22 11.35 Favored 'Trans proline' 0 C--N 1.313 -1.302 0 C-N-CA 122.202 1.935 . . . . 0.0 112.441 179.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 88.5 t -51.67 -50.24 31.86 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.913 0 O-C-N 121.138 -0.976 . . . . 0.0 110.441 -178.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 63.6 t -64.89 -48.61 83.55 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.646 0 C-N-CA 118.255 -1.378 . . . . 0.0 109.307 -178.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.58 -46.04 80.92 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.512 -0.743 . . . . 0.0 110.506 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 42.3 mtmt -62.44 -34.58 77.06 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 120.796 -1.19 . . . . 0.0 109.502 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.0 tm-20 -61.05 -39.32 89.37 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.135 -0.978 . . . . 0.0 109.725 -179.369 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 50.7 mt -59.36 -39.98 80.36 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 179.361 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 93.7 t -62.96 -39.63 85.87 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 O-C-N 121.357 -0.839 . . . . 0.0 108.791 179.169 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.72 -31.98 70.11 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.385 -0.822 . . . . 0.0 108.942 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.8 m -76.04 -29.14 57.96 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.531 -0.73 . . . . 0.0 109.413 179.602 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 51.4 t -82.62 103.76 12.38 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.368 -0.833 . . . . 0.0 109.492 179.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -61.66 -29.96 70.41 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.415 -0.803 . . . . 0.0 110.442 -179.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 60.8 mttp -70.06 -40.55 75.01 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.035 -1.04 . . . . 0.0 110.583 -179.036 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 99.6 m -85.7 -30.96 22.75 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 120.99 -1.069 . . . . 0.0 110.914 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.549 ' NE2' ' OE1' ' B' ' 44' ' ' GLN . 39.6 tt0 . . . . . 0 N--CA 1.496 1.852 0 O-C-N 120.969 -1.082 . . . . 0.0 110.897 -178.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 44.5 m-85 . . . . . 0 N--CA 1.49 1.555 0 CA-C-O 121.554 0.693 . . . . 0.0 109.902 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 16.3 mt -70.57 -34.25 72.0 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.304 -0.872 . . . . 0.0 111.663 -178.251 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -62.33 -45.8 91.59 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 120.567 -1.333 . . . . 0.0 110.632 -178.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.68 -46.03 26.0 Favored Glycine 0 N--CA 1.493 2.441 0 N-CA-C 109.375 -1.49 . . . . 0.0 109.375 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . 0.497 ' O ' ' N ' ' B' ' 9' ' ' GLN . 81.0 mt -58.24 -39.44 73.6 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.642 0 O-C-N 121.355 -1.085 . . . . 0.0 110.055 -179.725 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 61.5 t0 -57.62 -45.63 85.13 Favored 'General case' 0 C--N 1.301 -1.502 0 C-N-CA 119.139 -1.024 . . . . 0.0 108.956 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -69.52 -43.35 73.24 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.953 -1.092 . . . . 0.0 108.981 178.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.27 -36.82 83.97 Favored 'General case' 0 N--CA 1.486 1.369 0 O-C-N 121.256 -0.903 . . . . 0.0 109.324 179.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . 0.497 ' N ' ' O ' ' B' ' 5' ' ' ILE . 58.4 tt0 -55.83 -40.22 72.51 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.424 -0.797 . . . . 0.0 109.002 -179.334 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -60.07 -40.92 91.16 Favored 'General case' 0 C--N 1.3 -1.545 0 C-N-CA 119.392 -0.923 . . . . 0.0 109.023 179.369 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -61.78 -40.01 93.69 Favored 'General case' 0 N--CA 1.489 1.498 0 C-N-CA 119.145 -1.022 . . . . 0.0 109.095 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' HIS . . . . . 0.566 ' O ' ' N ' ' B' ' 16' ' ' HIS . 14.9 t60 -61.58 -42.4 98.8 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.009 -1.057 . . . . 0.0 109.626 179.4 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -60.63 -45.22 94.89 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.054 -1.029 . . . . 0.0 110.169 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 47.4 mtmt -61.25 -31.32 71.12 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.443 -0.786 . . . . 0.0 112.87 -178.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 47.2 m-85 -139.21 -3.98 1.53 Allowed 'General case' 0 N--CA 1.505 2.301 0 O-C-N 120.607 -1.308 . . . . 0.0 112.708 -176.228 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.566 ' N ' ' O ' ' B' ' 12' ' ' HIS . 90.1 m-70 54.04 40.62 31.81 Favored 'General case' 0 N--CA 1.493 1.677 0 N-CA-C 107.749 -1.204 . . . . 0.0 107.749 -178.031 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 90.7 p -60.08 155.86 16.2 Favored 'General case' 0 C--N 1.301 -1.529 0 CA-C-O 121.652 0.739 . . . . 0.0 111.189 -178.327 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -72.35 157.95 36.71 Favored 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 179.292 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 42.6 p-90 -57.05 -30.95 64.69 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.127 -0.983 . . . . 0.0 110.455 -179.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -63.37 -41.73 98.82 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.948 -1.095 . . . . 0.0 109.934 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.9 -47.07 72.93 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.403 -0.811 . . . . 0.0 109.842 -179.491 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 77.7 mtm -61.47 -39.91 92.61 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.038 -1.039 . . . . 0.0 109.198 179.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . 0.514 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -56.69 -48.71 77.07 Favored 'General case' 0 C--N 1.3 -1.57 0 C-N-CA 119.623 -0.831 . . . . 0.0 109.186 179.815 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 19.8 t -70.22 -36.05 74.28 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.306 -0.871 . . . . 0.0 110.492 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -60.73 -39.97 90.63 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.215 -0.928 . . . . 0.0 110.464 -178.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -114.44 1.96 14.51 Favored 'General case' 0 N--CA 1.503 2.211 0 O-C-N 121.6 -0.687 . . . . 0.0 110.191 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . 0.514 ' N ' ' O ' ' B' ' 23' ' ' ALA . 67.8 m-20 56.11 50.61 13.29 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.445 -0.785 . . . . 0.0 110.228 179.782 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 70.2 mt -115.97 151.6 46.68 Favored Pre-proline 0 N--CA 1.503 2.216 0 N-CA-C 108.52 -0.919 . . . . 0.0 108.52 179.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo -61.75 150.85 84.1 Favored 'Trans proline' 0 N--CA 1.497 1.693 0 C-N-CA 121.942 1.761 . . . . 0.0 111.996 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -43.17 -40.57 9.25 Favored 'Trans proline' 0 N--CA 1.489 1.226 0 C-N-CA 122.032 1.822 . . . . 0.0 112.308 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 86.7 t -51.89 -50.64 32.61 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 121.218 -0.926 . . . . 0.0 110.418 -178.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 62.6 t -64.77 -48.95 82.4 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.737 0 C-N-CA 118.33 -1.348 . . . . 0.0 109.476 -179.086 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.22 -45.8 83.24 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 121.416 -0.802 . . . . 0.0 110.639 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 42.0 mtmt -62.49 -34.12 76.22 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.036 -1.04 . . . . 0.0 109.777 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 13.2 tm-20 -61.91 -38.48 88.54 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.166 -0.958 . . . . 0.0 110.006 -179.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 45.9 mt -60.28 -39.78 81.82 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 N-CA-C 107.619 -1.252 . . . . 0.0 107.619 179.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 80.9 t -62.98 -39.92 87.03 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 179.175 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . 0.484 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -59.5 -32.17 70.03 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 179.4 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 51.8 m -76.0 -28.94 57.99 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.48 -0.763 . . . . 0.0 109.336 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 45.0 t -83.4 104.68 13.74 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.253 -0.904 . . . . 0.0 109.397 179.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -62.2 -29.68 70.54 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.327 -0.858 . . . . 0.0 110.518 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -70.01 -40.92 74.96 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.886 -1.134 . . . . 0.0 110.559 -178.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 94.2 m -85.13 -31.85 23.08 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.776 -1.202 . . . . 0.0 110.767 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . 0.549 ' OE1' ' NE2' ' A' ' 44' ' ' GLN . 5.8 tt0 . . . . . 0 N--CA 1.499 2.023 0 O-C-N 120.828 -1.17 . . . . 0.0 111.055 -178.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . 0.423 ' CE2' ' CE2' ' B' ' 1' ' ' PHE . 60.4 m-85 . . . . . 0 N--CA 1.492 1.639 0 CA-C-O 121.472 0.653 . . . . 0.0 109.764 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 20.2 mt -70.27 -35.19 73.6 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.202 -0.937 . . . . 0.0 111.114 -178.033 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -64.04 -45.72 87.6 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.868 -1.145 . . . . 0.0 110.774 -178.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.15 -41.96 52.29 Favored Glycine 0 N--CA 1.492 2.377 0 N-CA-C 109.338 -1.505 . . . . 0.0 109.338 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.411 ' O ' ' N ' ' A' ' 9' ' ' GLN . 72.6 mt -60.42 -39.19 80.31 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.374 -1.074 . . . . 0.0 109.867 179.536 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 47.1 t0 -56.08 -48.27 76.42 Favored 'General case' 0 C--N 1.303 -1.417 0 C-N-CA 119.116 -1.034 . . . . 0.0 108.919 -179.068 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -69.12 -40.92 78.0 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.79 -1.194 . . . . 0.0 109.317 178.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.6 -40.24 88.77 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.351 -0.843 . . . . 0.0 109.856 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.411 ' N ' ' O ' ' A' ' 5' ' ' ILE . 59.0 tt0 -55.65 -40.41 72.18 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.256 -0.902 . . . . 0.0 109.637 -179.24 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -62.24 -40.18 95.28 Favored 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 119.521 -0.872 . . . . 0.0 109.239 179.327 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -61.4 -40.63 95.09 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.064 -1.022 . . . . 0.0 108.677 179.465 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.54 ' O ' ' N ' ' A' ' 16' ' ' HIS . 12.8 t60 -60.22 -46.84 88.38 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.336 -0.853 . . . . 0.0 110.091 179.614 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -60.05 -42.97 95.61 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.346 -0.846 . . . . 0.0 110.905 -179.636 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.5 mtpp -61.7 -32.38 72.58 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.329 -0.857 . . . . 0.0 112.479 -178.121 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 -139.36 -3.97 1.5 Allowed 'General case' 0 N--CA 1.506 2.362 0 O-C-N 120.727 -1.233 . . . . 0.0 112.835 -176.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.54 ' N ' ' O ' ' A' ' 12' ' ' HIS . 81.3 m-70 54.55 44.28 28.98 Favored 'General case' 0 N--CA 1.499 1.979 0 N-CA-C 107.004 -1.48 . . . . 0.0 107.004 -177.422 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 91.8 p -67.49 157.01 35.26 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.605 -0.684 . . . . 0.0 110.307 -178.477 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 36.0 m120 -73.52 158.65 34.48 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.355 -0.841 . . . . 0.0 109.055 179.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 55.3 p-90 -57.76 -30.54 65.69 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.355 -0.841 . . . . 0.0 110.302 -179.485 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 79.3 mtm180 -61.29 -39.85 91.96 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.835 -1.166 . . . . 0.0 109.554 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.08 -49.37 57.94 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.697 -0.627 . . . . 0.0 110.321 -179.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 79.3 mtm -60.6 -39.23 87.37 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.051 -1.031 . . . . 0.0 109.631 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.559 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -57.19 -47.74 80.5 Favored 'General case' 0 C--N 1.299 -1.613 0 C-N-CA 119.505 -0.878 . . . . 0.0 109.57 -179.667 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 18.3 t -68.27 -36.41 79.37 Favored 'General case' 0 C--N 1.298 -1.672 0 O-C-N 121.181 -0.949 . . . . 0.0 110.04 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -59.88 -40.03 87.29 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.279 -0.888 . . . . 0.0 110.428 -178.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -114.43 1.6 14.42 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.38 -0.825 . . . . 0.0 110.121 -179.385 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.559 ' N ' ' O ' ' A' ' 23' ' ' ALA . 85.9 m-20 56.12 45.09 24.12 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.411 -0.806 . . . . 0.0 110.168 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 61.0 mt -107.77 150.98 40.94 Favored Pre-proline 0 N--CA 1.503 2.224 0 O-C-N 121.176 -0.953 . . . . 0.0 108.473 179.39 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -61.78 149.76 88.68 Favored 'Trans proline' 0 N--CA 1.489 1.234 0 C-N-CA 121.526 1.484 . . . . 0.0 111.325 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -42.75 -38.43 6.59 Favored 'Trans proline' 0 C--N 1.313 -1.309 0 C-N-CA 122.315 2.01 . . . . 0.0 113.171 -179.374 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 59.2 t -54.09 -50.91 51.46 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.943 0 O-C-N 120.949 -1.095 . . . . 0.0 110.231 -177.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 57.7 t -64.19 -48.21 86.65 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.736 0 C-N-CA 118.739 -1.184 . . . . 0.0 109.339 -178.584 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.89 -45.28 82.58 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.46 -0.775 . . . . 0.0 109.692 179.631 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 53.4 mtpt -60.25 -37.37 80.18 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.111 -0.993 . . . . 0.0 110.491 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.6 tm-20 -60.53 -39.47 87.98 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.821 -1.174 . . . . 0.0 110.349 -179.469 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 89.6 mt -60.02 -39.54 80.57 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.493 0 O-C-N 120.65 -1.281 . . . . 0.0 107.751 178.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 92.9 t -66.05 -39.4 84.4 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.397 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 178.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.29 -38.11 76.37 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.773 -0.579 . . . . 0.0 110.661 -179.699 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 47.4 m -77.24 -22.79 51.69 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.417 -0.802 . . . . 0.0 109.597 -179.212 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 45.4 t -81.05 98.77 8.13 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.27 -0.894 . . . . 0.0 109.195 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -60.83 -28.9 69.16 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.597 -0.69 . . . . 0.0 110.442 -179.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 60.8 mttm -68.85 -39.68 79.77 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 120.963 -1.085 . . . . 0.0 110.423 -178.229 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 57.6 m -83.45 -51.87 7.0 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 120.903 -1.123 . . . . 0.0 110.34 -179.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.554 ' NE2' ' OE1' ' B' ' 44' ' ' GLN . 13.1 tt0 . . . . . 0 N--CA 1.494 1.752 0 O-C-N 120.926 -1.109 . . . . 0.0 110.083 -179.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . 0.423 ' CE2' ' CE2' ' A' ' 1' ' ' PHE . 58.1 m-85 . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 121.545 0.688 . . . . 0.0 109.458 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 19.2 mt -70.52 -34.99 72.92 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.341 -0.849 . . . . 0.0 110.879 -178.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -64.27 -45.5 87.79 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.821 -1.174 . . . . 0.0 110.837 -178.681 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.39 -41.49 52.1 Favored Glycine 0 N--CA 1.492 2.411 0 N-CA-C 109.289 -1.524 . . . . 0.0 109.289 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . 0.421 ' O ' ' N ' ' B' ' 9' ' ' GLN . 67.3 mt -60.12 -39.63 81.05 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.438 0 O-C-N 121.359 -1.083 . . . . 0.0 109.807 179.618 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 46.7 t0 -55.85 -49.02 74.46 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.036 -1.04 . . . . 0.0 109.017 -178.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -68.99 -40.36 78.82 Favored 'General case' 0 C--N 1.3 -1.581 0 C-N-CA 118.453 -1.299 . . . . 0.0 109.428 178.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.63 -38.12 83.45 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.097 -1.002 . . . . 0.0 109.779 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . 0.421 ' N ' ' O ' ' B' ' 5' ' ' ILE . 60.4 tt0 -56.27 -41.22 75.47 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.144 -0.973 . . . . 0.0 109.628 -179.477 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 78.9 tt0 -61.75 -41.08 97.21 Favored 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 119.618 -0.833 . . . . 0.0 108.906 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 23.6 tp10 -60.28 -39.83 88.26 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.041 -1.037 . . . . 0.0 108.557 179.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' HIS . . . . . 0.554 ' O ' ' N ' ' B' ' 16' ' ' HIS . 16.5 t60 -60.62 -47.59 85.55 Favored 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 119.917 -0.713 . . . . 0.0 109.494 179.45 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -60.24 -43.72 95.85 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.375 -0.828 . . . . 0.0 110.718 -178.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 25.3 mtpp -60.52 -32.67 71.68 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.193 -0.942 . . . . 0.0 112.736 -178.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -139.66 -3.21 1.49 Allowed 'General case' 0 N--CA 1.505 2.297 0 O-C-N 120.723 -1.235 . . . . 0.0 112.88 -176.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.554 ' N ' ' O ' ' B' ' 12' ' ' HIS . 82.2 m-70 54.17 45.46 27.36 Favored 'General case' 0 N--CA 1.498 1.932 0 N-CA-C 106.871 -1.529 . . . . 0.0 106.871 -177.435 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 96.3 p -69.49 154.12 42.49 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.544 -0.723 . . . . 0.0 110.248 -178.333 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 35.7 m120 -70.4 158.51 35.86 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.302 -0.874 . . . . 0.0 108.973 179.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 56.9 p-90 -57.29 -31.65 65.85 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.351 -0.843 . . . . 0.0 110.503 -179.334 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 80.1 mtm180 -60.51 -39.24 87.05 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.143 -0.973 . . . . 0.0 109.817 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.69 -50.3 45.15 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.229 -0.919 . . . . 0.0 109.905 -179.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 79.4 mtm -59.99 -39.46 85.8 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.127 -0.983 . . . . 0.0 109.455 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . 0.519 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -57.83 -46.37 84.82 Favored 'General case' 0 C--N 1.303 -1.421 0 C-N-CA 119.266 -0.974 . . . . 0.0 109.409 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 24.9 t -69.64 -36.34 76.02 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.224 -0.923 . . . . 0.0 110.058 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -60.01 -40.2 88.43 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.132 -0.98 . . . . 0.0 110.295 -179.033 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -113.1 0.13 14.87 Favored 'General case' 0 N--CA 1.505 2.297 0 O-C-N 121.308 -0.87 . . . . 0.0 110.448 -179.303 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . 0.519 ' N ' ' O ' ' B' ' 23' ' ' ALA . 78.0 m-20 56.86 46.65 19.36 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.42 -0.8 . . . . 0.0 110.272 179.792 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 68.4 mt -109.76 151.24 42.21 Favored Pre-proline 0 N--CA 1.496 1.852 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 179.322 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -61.12 151.09 81.11 Favored 'Trans proline' 0 C--N 1.309 -1.531 0 C-N-CA 121.439 1.426 . . . . 0.0 111.262 179.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_exo -44.26 -37.78 10.5 Favored 'Trans proline' 0 C--N 1.311 -1.405 0 C-N-CA 122.421 2.081 . . . . 0.0 112.728 -179.652 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 49.8 t -54.53 -49.83 63.21 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.781 0 O-C-N 121.156 -0.965 . . . . 0.0 110.488 -177.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 63.4 t -65.25 -47.5 87.09 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.763 0 C-N-CA 118.44 -1.304 . . . . 0.0 109.575 -178.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.41 -44.36 83.19 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.454 -0.779 . . . . 0.0 109.904 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 56.0 mtpt -61.98 -37.16 83.76 Favored 'General case' 0 C--N 1.306 -1.312 0 O-C-N 121.288 -0.883 . . . . 0.0 110.632 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 16.7 tm-20 -59.85 -39.91 86.78 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.785 -1.197 . . . . 0.0 109.767 -179.344 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 91.4 mt -59.7 -40.28 81.93 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 O-C-N 120.782 -1.199 . . . . 0.0 108.175 179.036 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 86.9 t -65.69 -38.7 82.91 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 178.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.05 -38.37 79.19 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.577 -0.702 . . . . 0.0 109.883 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 26.4 m -76.41 -23.17 54.0 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.03 -1.044 . . . . 0.0 109.53 -179.441 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 53.1 t -80.38 99.61 8.03 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.122 -0.986 . . . . 0.0 109.048 179.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -61.48 -30.03 70.35 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.615 -0.678 . . . . 0.0 110.095 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 62.4 mttm -68.11 -38.13 81.91 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.028 -1.045 . . . . 0.0 110.531 -178.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 54.1 m -84.17 -53.63 5.38 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.932 -1.105 . . . . 0.0 110.333 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . 0.554 ' OE1' ' NE2' ' A' ' 44' ' ' GLN . 44.2 tt0 . . . . . 0 C--N 1.3 -1.558 0 O-C-N 120.847 -1.158 . . . . 0.0 109.715 -179.023 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 . . . . . 0 N--CA 1.49 1.544 0 CA-C-O 121.567 0.699 . . . . 0.0 109.54 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 23.1 mt -75.91 -41.83 50.72 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.501 -0.749 . . . . 0.0 110.994 -178.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 58.9 t0 -65.36 -50.01 67.19 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.878 -1.139 . . . . 0.0 110.459 -178.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.78 -48.95 66.43 Favored Glycine 0 N--CA 1.494 2.563 0 N-CA-C 109.975 -1.25 . . . . 0.0 109.975 -179.32 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.462 ' O ' ' N ' ' A' ' 9' ' ' GLN . 77.6 mt -58.9 -39.67 78.29 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.13 -1.218 . . . . 0.0 110.361 -179.588 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -54.16 -46.17 72.22 Favored 'General case' 0 C--N 1.296 -1.737 0 O-C-N 120.491 -1.38 . . . . 0.0 108.946 -179.214 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -70.08 -42.75 72.37 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.911 -1.118 . . . . 0.0 109.583 178.271 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.39 -38.28 84.45 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.284 -0.885 . . . . 0.0 109.292 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.462 ' N ' ' O ' ' A' ' 5' ' ' ILE . 60.1 tt0 -57.44 -40.64 78.86 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.613 -0.679 . . . . 0.0 109.41 -179.671 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -61.13 -40.48 93.96 Favored 'General case' 0 C--N 1.301 -1.502 0 C-N-CA 118.992 -1.083 . . . . 0.0 108.836 179.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 15.2 tm-20 -62.44 -40.7 97.41 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.046 -1.034 . . . . 0.0 109.331 179.145 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.556 ' O ' ' N ' ' A' ' 16' ' ' HIS . 13.2 t60 -59.96 -44.16 94.59 Favored 'General case' 0 C--N 1.304 -1.401 0 C-N-CA 119.225 -0.99 . . . . 0.0 109.029 179.723 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -60.68 -45.64 93.41 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.839 -1.163 . . . . 0.0 110.934 -179.526 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 54.5 mtmt -60.47 -32.21 71.19 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.09 -1.006 . . . . 0.0 112.595 -178.314 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 45.3 m-85 -137.87 -4.98 1.73 Allowed 'General case' 0 N--CA 1.509 2.475 0 O-C-N 120.65 -1.281 . . . . 0.0 113.043 -177.04 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.556 ' N ' ' O ' ' A' ' 12' ' ' HIS . 92.7 m-70 54.71 42.72 31.01 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 120.503 -1.373 . . . . 0.0 107.511 -177.788 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 78.6 p -63.89 158.01 23.27 Favored 'General case' 0 C--N 1.297 -1.689 0 CA-C-O 121.504 0.669 . . . . 0.0 110.73 -178.232 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 -74.31 159.03 32.97 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.594 -0.691 . . . . 0.0 109.261 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 38.6 p-90 -57.71 -29.79 64.99 Favored 'General case' 0 C--N 1.303 -1.432 0 C-N-CA 119.33 -0.948 . . . . 0.0 109.909 -179.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 80.4 mtm180 -63.87 -40.29 96.2 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 120.898 -1.126 . . . . 0.0 110.364 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.83 -47.81 61.34 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.125 -0.984 . . . . 0.0 108.984 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 78.2 mtm -61.05 -40.23 92.86 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.316 -0.865 . . . . 0.0 109.447 179.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.5 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -59.63 -45.87 90.67 Favored 'General case' 0 N--CA 1.492 1.626 0 C-N-CA 119.513 -0.875 . . . . 0.0 109.174 179.569 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 43.6 t -70.76 -37.16 73.38 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.506 -0.746 . . . . 0.0 110.249 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -60.24 -39.31 86.24 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.258 -0.901 . . . . 0.0 109.962 -178.397 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -111.51 -2.52 15.47 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.566 -0.709 . . . . 0.0 110.045 -179.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.5 ' N ' ' O ' ' A' ' 23' ' ' ALA . 11.1 t-20 59.74 47.09 10.79 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.639 -0.663 . . . . 0.0 109.562 179.82 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 53.0 mt -113.62 152.15 45.18 Favored Pre-proline 0 N--CA 1.502 2.157 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 179.353 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -60.13 149.39 85.16 Favored 'Trans proline' 0 C--N 1.312 -1.345 0 C-N-CA 121.65 1.566 . . . . 0.0 111.509 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -41.19 -37.7 2.99 Favored 'Trans proline' 0 C--N 1.31 -1.455 0 C-N-CA 121.922 1.748 . . . . 0.0 111.854 178.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 98.4 t -50.49 -51.83 17.66 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.766 0 O-C-N 121.264 -0.897 . . . . 0.0 110.747 -177.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 58.1 t -66.32 -48.54 80.66 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.937 0 C-N-CA 118.545 -1.262 . . . . 0.0 109.327 -178.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.54 -46.69 84.8 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.281 -0.887 . . . . 0.0 110.491 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 43.7 mtmt -60.52 -37.44 81.18 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 120.895 -1.128 . . . . 0.0 110.199 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.2 tm-20 -60.81 -39.97 90.95 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.012 -1.055 . . . . 0.0 110.107 -178.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 50.0 mt -59.72 -39.74 80.54 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 O-C-N 120.789 -1.194 . . . . 0.0 108.702 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 59.8 t -63.68 -39.66 86.17 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.029 -1.045 . . . . 0.0 108.506 179.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.414 ' O ' ' OE1' ' A' ' 44' ' ' GLN . . . -60.65 -31.18 70.4 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.521 -0.737 . . . . 0.0 109.344 179.015 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 68.5 m -77.09 -28.19 54.43 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.277 -0.89 . . . . 0.0 109.864 -179.213 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 43.0 t -82.25 103.11 11.6 Favored 'General case' 0 N--CA 1.486 1.365 0 O-C-N 121.273 -0.892 . . . . 0.0 109.899 -179.629 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -60.57 -29.96 69.51 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.458 -0.776 . . . . 0.0 110.023 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 64.1 mttp -69.97 -39.53 75.9 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.939 -1.101 . . . . 0.0 110.703 -178.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 62.1 m -84.99 -30.1 24.47 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.705 -1.247 . . . . 0.0 109.639 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.549 ' NE2' ' OE1' ' B' ' 44' ' ' GLN . 55.5 tt0 . . . . . 0 N--CA 1.492 1.648 0 O-C-N 121.062 -1.024 . . . . 0.0 110.212 -179.239 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 . . . . . 0 N--CA 1.488 1.455 0 CA-C-O 121.511 0.672 . . . . 0.0 109.55 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 23.5 mt -76.45 -42.83 42.51 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.58 -0.7 . . . . 0.0 110.649 -179.016 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 57.2 t0 -63.27 -52.05 63.64 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.067 -1.021 . . . . 0.0 110.518 -178.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.61 -49.53 72.59 Favored Glycine 0 N--CA 1.495 2.592 0 N-CA-C 110.205 -1.158 . . . . 0.0 110.205 -179.245 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . 0.466 ' O ' ' N ' ' B' ' 9' ' ' GLN . 79.1 mt -58.87 -38.74 74.8 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.279 -1.13 . . . . 0.0 110.337 -179.579 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -54.68 -45.7 73.96 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 120.669 -1.269 . . . . 0.0 108.759 -179.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -70.36 -42.53 71.68 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.043 -1.036 . . . . 0.0 109.658 178.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.06 -38.89 82.95 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.312 -0.868 . . . . 0.0 109.563 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . 0.466 ' N ' ' O ' ' B' ' 5' ' ' ILE . 59.2 tt0 -57.41 -40.44 78.3 Favored 'General case' 0 C--N 1.298 -1.649 0 O-C-N 121.268 -0.895 . . . . 0.0 109.131 -179.749 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -61.14 -41.31 96.5 Favored 'General case' 0 C--N 1.302 -1.496 0 C-N-CA 119.093 -1.043 . . . . 0.0 108.605 179.126 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 15.2 tm-20 -61.73 -40.69 95.96 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.217 -0.927 . . . . 0.0 109.211 179.26 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' HIS . . . . . 0.55 ' O ' ' N ' ' B' ' 16' ' ' HIS . 12.7 t60 -59.87 -43.46 94.71 Favored 'General case' 0 C--N 1.302 -1.492 0 C-N-CA 119.099 -1.04 . . . . 0.0 109.123 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -61.08 -45.75 93.45 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.093 -1.004 . . . . 0.0 111.068 -179.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 54.8 mtmt -60.74 -31.04 70.37 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.23 -0.919 . . . . 0.0 113.004 -178.319 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 48.1 m-85 -139.15 -5.05 1.47 Allowed 'General case' 0 N--CA 1.507 2.404 0 O-C-N 120.614 -1.304 . . . . 0.0 112.7 -176.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.55 ' N ' ' O ' ' B' ' 12' ' ' HIS . 91.8 m-70 54.35 42.05 31.64 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 120.629 -1.294 . . . . 0.0 107.9 -178.018 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 82.4 p -62.61 159.0 16.87 Favored 'General case' 0 C--N 1.297 -1.676 0 CA-C-O 121.573 0.702 . . . . 0.0 110.64 -178.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -75.31 159.39 31.53 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.493 -0.754 . . . . 0.0 109.61 179.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 32.5 p-90 -57.85 -30.06 65.48 Favored 'General case' 0 C--N 1.305 -1.365 0 C-N-CA 119.503 -0.879 . . . . 0.0 110.065 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 79.2 mtm180 -63.34 -40.66 97.91 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.12 -0.988 . . . . 0.0 110.053 179.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.69 -48.01 61.16 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.346 -0.846 . . . . 0.0 109.158 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 77.3 mtm -60.34 -40.73 91.75 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.431 -0.793 . . . . 0.0 109.221 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . 0.517 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -58.95 -46.43 88.05 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.393 -0.817 . . . . 0.0 109.303 179.407 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 47.8 t -70.32 -37.65 74.76 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.54 -0.725 . . . . 0.0 110.261 179.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -59.89 -39.16 84.4 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.372 -0.83 . . . . 0.0 110.109 -178.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -112.24 -2.36 14.91 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.555 -0.715 . . . . 0.0 109.795 -179.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . 0.517 ' N ' ' O ' ' B' ' 23' ' ' ALA . 11.6 t-20 59.36 48.84 9.55 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.52 -0.738 . . . . 0.0 109.466 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 53.8 mt -115.03 152.48 46.62 Favored Pre-proline 0 N--CA 1.501 2.113 0 N-CA-C 108.412 -0.959 . . . . 0.0 108.412 179.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -60.35 150.18 81.87 Favored 'Trans proline' 0 C--N 1.313 -1.303 0 C-N-CA 121.518 1.479 . . . . 0.0 111.722 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -41.87 -37.79 4.37 Favored 'Trans proline' 0 C--N 1.308 -1.575 0 C-N-CA 121.885 1.723 . . . . 0.0 111.584 178.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 73.8 t -50.72 -51.97 18.15 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.622 0 O-C-N 121.19 -0.944 . . . . 0.0 110.916 -177.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 84.0 t -66.54 -48.19 81.23 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.015 0 C-N-CA 118.561 -1.256 . . . . 0.0 109.235 -179.338 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.61 -46.87 83.79 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.315 -0.866 . . . . 0.0 110.385 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 43.5 mtmt -60.94 -36.48 79.44 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.868 -1.145 . . . . 0.0 110.296 -179.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -60.78 -39.85 90.37 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 119.212 -0.995 . . . . 0.0 110.164 -178.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 50.9 mt -59.82 -40.1 81.73 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 O-C-N 120.871 -1.143 . . . . 0.0 108.76 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 58.2 t -63.24 -40.17 88.04 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.451 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 179.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . 0.548 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -60.73 -31.27 70.58 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.402 -0.811 . . . . 0.0 109.501 179.147 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 66.7 m -77.06 -28.18 54.59 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.238 -0.914 . . . . 0.0 109.63 -179.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 48.2 t -82.05 102.01 10.73 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.31 -0.869 . . . . 0.0 110.068 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -60.12 -29.94 68.95 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.424 -0.798 . . . . 0.0 110.212 179.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -69.63 -38.46 77.22 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 120.868 -1.145 . . . . 0.0 110.847 -178.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 60.0 m -85.93 -31.21 22.26 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.922 -1.111 . . . . 0.0 109.863 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . 0.549 ' OE1' ' NE2' ' A' ' 44' ' ' GLN . 6.7 tt0 . . . . . 0 N--CA 1.489 1.514 0 O-C-N 121.181 -0.95 . . . . 0.0 110.085 -178.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . 0.458 ' CE2' ' CE2' ' B' ' 1' ' ' PHE . 76.4 m-85 . . . . . 0 N--CA 1.49 1.538 0 CA-C-O 121.368 0.604 . . . . 0.0 110.214 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 14.1 mt -71.39 -35.56 71.09 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.275 -0.891 . . . . 0.0 111.245 -178.274 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 -62.77 -52.46 63.12 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.722 -1.236 . . . . 0.0 110.685 -178.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.04 -44.98 93.55 Favored Glycine 0 N--CA 1.49 2.264 0 N-CA-C 109.9 -1.28 . . . . 0.0 109.9 -179.511 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.486 ' O ' ' N ' ' A' ' 9' ' ' GLN . 87.2 mt -60.01 -39.55 80.6 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.471 0 O-C-N 121.267 -1.137 . . . . 0.0 110.945 -179.303 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -55.05 -45.71 75.3 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.035 -1.04 . . . . 0.0 108.942 -179.101 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 36.1 mtmm -69.6 -43.93 71.76 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 120.976 -1.078 . . . . 0.0 109.478 178.597 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.96 -34.2 77.57 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.321 -0.862 . . . . 0.0 109.57 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.486 ' N ' ' O ' ' A' ' 5' ' ' ILE . 56.1 tt0 -57.75 -42.25 83.56 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.061 -1.024 . . . . 0.0 108.902 -179.658 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -61.91 -40.75 96.56 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.386 -0.821 . . . . 0.0 109.046 179.421 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.2 tm-20 -61.16 -40.52 94.17 Favored 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 179.303 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.538 ' O ' ' N ' ' A' ' 16' ' ' HIS . 13.3 t60 -62.59 -46.54 87.85 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 120.019 -0.672 . . . . 0.0 110.192 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 78.5 tt0 -60.68 -42.62 97.47 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.237 -0.915 . . . . 0.0 110.616 -179.404 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -63.1 -30.62 71.74 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.33 -0.856 . . . . 0.0 112.621 -178.281 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -140.34 -4.67 1.28 Allowed 'General case' 0 N--CA 1.507 2.41 0 O-C-N 120.759 -1.213 . . . . 0.0 112.969 -176.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.538 ' N ' ' O ' ' A' ' 12' ' ' HIS . 90.7 m-70 54.52 45.19 27.5 Favored 'General case' 0 N--CA 1.495 1.809 0 N-CA-C 107.154 -1.424 . . . . 0.0 107.154 -177.514 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 95.1 p -65.86 156.16 34.18 Favored 'General case' 0 C--N 1.305 -1.336 0 CA-C-O 121.36 0.6 . . . . 0.0 110.363 -178.581 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -73.07 159.29 33.83 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.416 -0.803 . . . . 0.0 108.918 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 42.2 p-90 -56.9 -29.43 63.02 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.303 -0.873 . . . . 0.0 110.225 -179.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 72.3 mtm180 -62.61 -40.6 97.47 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.621 -1.299 . . . . 0.0 109.823 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.16 -50.42 61.24 Favored 'General case' 0 C--N 1.3 -1.552 0 C-N-CA 119.694 -0.802 . . . . 0.0 109.59 -179.052 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 78.0 mtm -61.16 -40.66 94.69 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 121.33 -0.857 . . . . 0.0 109.35 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.483 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -58.02 -49.77 75.72 Favored 'General case' 0 C--N 1.303 -1.43 0 C-N-CA 119.521 -0.871 . . . . 0.0 109.231 179.739 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 42.7 t -70.41 -36.43 74.03 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.672 -0.642 . . . . 0.0 110.382 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -59.87 -40.42 88.6 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.261 -0.899 . . . . 0.0 110.524 -178.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -112.17 0.27 15.79 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 121.388 -0.82 . . . . 0.0 109.905 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.483 ' N ' ' O ' ' A' ' 23' ' ' ALA . 42.2 t30 60.01 46.28 11.09 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.233 -0.917 . . . . 0.0 109.937 179.619 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 51.0 mt -110.32 151.69 42.79 Favored Pre-proline 0 N--CA 1.5 2.065 0 N-CA-C 108.204 -1.036 . . . . 0.0 108.204 179.446 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 21.5 Cg_endo -60.9 162.29 19.38 Favored 'Trans proline' 0 N--CA 1.492 1.421 0 C-N-CA 121.776 1.65 . . . . 0.0 111.269 179.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_endo -56.42 -34.85 95.56 Favored 'Trans proline' 0 C--N 1.302 -1.901 0 C-N-CA 122.267 1.978 . . . . 0.0 111.974 -179.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 79.7 t -56.21 -49.44 76.2 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.618 0 O-C-N 120.839 -1.163 . . . . 0.0 109.649 -179.158 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 66.2 t -64.96 -49.3 80.38 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.781 0 C-N-CA 118.712 -1.195 . . . . 0.0 109.464 -179.085 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.16 -46.28 81.52 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.548 -0.72 . . . . 0.0 110.361 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.468 ' NZ ' ' CB ' ' A' ' 34' ' ' LYS . 8.4 mtmp? -61.29 -34.87 75.92 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 120.607 -1.308 . . . . 0.0 109.829 179.47 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.436 ' OE2' ' NZ ' ' B' ' 34' ' ' LYS . 16.0 tm-20 -61.04 -39.96 91.78 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.918 -1.114 . . . . 0.0 110.362 -179.25 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 69.8 mt -60.38 -39.44 80.99 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 O-C-N 120.922 -1.111 . . . . 0.0 108.092 179.437 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 94.6 t -65.6 -39.03 83.77 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.421 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 178.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.408 ' O ' ' OE1' ' A' ' 44' ' ' GLN . . . -61.24 -30.7 70.61 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.684 -0.635 . . . . 0.0 109.691 179.721 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.9 m -80.2 -26.18 39.32 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.806 -1.184 . . . . 0.0 109.638 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 40.8 t -81.35 102.44 10.45 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.211 -0.93 . . . . 0.0 109.483 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -60.06 -29.62 68.66 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.563 -0.711 . . . . 0.0 110.37 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -69.87 -39.9 76.03 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.791 -1.193 . . . . 0.0 110.384 -178.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 69.2 m -84.64 -23.65 29.42 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.03 -1.044 . . . . 0.0 109.343 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.408 ' OE1' ' O ' ' A' ' 38' ' ' ALA . 36.2 tt0 . . . . . 0 N--CA 1.495 1.802 0 O-C-N 120.936 -1.103 . . . . 0.0 109.019 179.278 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . 0.458 ' CE2' ' CE2' ' A' ' 1' ' ' PHE . 74.8 m-85 . . . . . 0 N--CA 1.49 1.568 0 CA-C-O 121.235 0.541 . . . . 0.0 110.162 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 14.2 mt -71.6 -35.9 70.66 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.229 -0.92 . . . . 0.0 111.351 -178.272 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -62.71 -50.82 69.62 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 120.649 -1.282 . . . . 0.0 110.775 -178.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.89 -45.48 87.9 Favored Glycine 0 N--CA 1.487 2.079 0 N-CA-C 109.99 -1.244 . . . . 0.0 109.99 -179.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . 0.418 ' O ' ' N ' ' B' ' 9' ' ' GLN . 86.3 mt -60.02 -39.64 80.88 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.472 0 O-C-N 121.339 -1.095 . . . . 0.0 111.025 -179.101 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -55.28 -45.43 76.19 Favored 'General case' 0 C--N 1.304 -1.404 0 C-N-CA 119.015 -1.074 . . . . 0.0 108.963 -178.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 36.5 mtmm -69.68 -44.02 71.33 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.062 -1.024 . . . . 0.0 109.029 178.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.63 -34.7 78.83 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.284 -0.885 . . . . 0.0 109.674 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' B' ' 5' ' ' ILE . 57.7 tt0 -57.83 -41.72 82.86 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.021 -1.049 . . . . 0.0 109.089 -179.483 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -62.21 -40.64 96.77 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.146 -0.971 . . . . 0.0 109.08 179.088 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 14.6 tm-20 -61.06 -40.59 94.24 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.171 -0.956 . . . . 0.0 108.676 179.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' HIS . . . . . 0.523 ' O ' ' N ' ' B' ' 16' ' ' HIS . 13.4 t60 -62.45 -46.44 88.52 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 119.79 -0.764 . . . . 0.0 110.323 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 -60.45 -42.34 95.94 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.2 -0.937 . . . . 0.0 110.548 -179.583 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -63.75 -30.34 71.45 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.054 -1.028 . . . . 0.0 112.644 -178.235 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -140.36 -4.68 1.28 Allowed 'General case' 0 N--CA 1.507 2.387 0 O-C-N 120.693 -1.255 . . . . 0.0 112.958 -176.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.523 ' N ' ' O ' ' B' ' 12' ' ' HIS . 90.4 m-70 54.47 44.58 28.6 Favored 'General case' 0 N--CA 1.498 1.96 0 N-CA-C 107.115 -1.439 . . . . 0.0 107.115 -177.693 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 99.2 p -65.45 156.1 33.46 Favored 'General case' 0 C--N 1.302 -1.497 0 CA-C-O 121.574 0.702 . . . . 0.0 110.48 -178.41 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -72.79 158.69 35.08 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.093 -1.004 . . . . 0.0 109.445 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 38.7 p-90 -56.91 -29.26 62.89 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.043 -1.036 . . . . 0.0 110.526 -179.47 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 72.3 mtm180 -62.35 -40.63 97.02 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.675 -1.266 . . . . 0.0 109.864 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.34 -50.36 60.26 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.277 -0.889 . . . . 0.0 109.571 -179.27 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 77.8 mtm -61.13 -39.79 91.37 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 121.206 -0.934 . . . . 0.0 109.397 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . 0.489 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -58.63 -49.2 78.37 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.302 -0.874 . . . . 0.0 109.01 179.773 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 38.3 t -70.6 -37.41 73.88 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.621 -0.675 . . . . 0.0 110.267 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 54.1 t0 -59.12 -40.46 85.49 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.244 -0.91 . . . . 0.0 110.49 -178.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -112.26 0.68 15.83 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.483 -0.761 . . . . 0.0 109.8 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . 0.489 ' N ' ' O ' ' B' ' 23' ' ' ALA . 42.3 t30 59.68 44.51 14.19 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.194 -0.941 . . . . 0.0 110.203 179.474 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 48.3 mt -108.89 151.04 41.63 Favored Pre-proline 0 N--CA 1.499 1.976 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 179.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -60.81 162.6 18.2 Favored 'Trans proline' 0 C--N 1.312 -1.356 0 C-N-CA 121.496 1.464 . . . . 0.0 111.12 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' PRO . . . . . 0.418 ' O ' ' N ' ' B' ' 34' ' ' LYS . 13.5 Cg_endo -56.62 -33.96 94.5 Favored 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 122.49 2.127 . . . . 0.0 112.24 -179.6 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 82.9 t -56.9 -49.24 79.67 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.693 0 O-C-N 120.776 -1.202 . . . . 0.0 109.624 -179.299 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 66.2 t -65.39 -49.09 80.49 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.845 0 C-N-CA 118.673 -1.211 . . . . 0.0 109.236 -178.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.49 -46.23 80.56 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.586 -0.696 . . . . 0.0 110.204 -179.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.459 ' CB ' ' NZ ' ' B' ' 34' ' ' LYS . 8.3 mtmp? -61.24 -35.42 77.2 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.645 -1.284 . . . . 0.0 109.852 179.31 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 16.3 tm-20 -60.87 -39.92 90.98 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 120.98 -1.075 . . . . 0.0 110.246 -179.146 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 73.6 mt -60.2 -40.04 82.41 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 120.737 -1.227 . . . . 0.0 107.982 179.594 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 89.7 t -64.55 -40.07 87.77 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.566 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 178.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . 0.586 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -60.09 -31.79 70.35 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.296 -0.878 . . . . 0.0 109.765 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 49.8 m -79.42 -26.43 41.87 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 120.855 -1.153 . . . . 0.0 109.483 -179.391 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 42.5 t -81.41 102.18 10.33 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.245 -0.909 . . . . 0.0 109.41 -179.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -60.54 -28.92 68.79 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.511 -0.743 . . . . 0.0 110.597 -179.545 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 61.5 mttp -69.94 -39.85 75.84 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.898 -1.126 . . . . 0.0 110.058 -179.368 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 69.3 m -84.7 -24.26 29.0 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.176 -0.952 . . . . 0.0 109.326 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . 0.586 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 17.3 tt0 . . . . . 0 N--CA 1.493 1.722 0 O-C-N 121.044 -1.035 . . . . 0.0 108.907 179.32 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 37.4 m-85 . . . . . 0 N--CA 1.489 1.506 0 CA-C-O 121.428 0.632 . . . . 0.0 109.981 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 55.9 mt -71.54 -31.09 66.64 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.324 -0.86 . . . . 0.0 112.084 -178.275 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -62.63 -51.85 65.64 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.641 -1.287 . . . . 0.0 110.693 -178.143 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.15 -42.19 77.28 Favored Glycine 0 N--CA 1.491 2.322 0 N-CA-C 109.936 -1.266 . . . . 0.0 109.936 -179.484 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.463 ' O ' ' N ' ' A' ' 9' ' ' GLN . 91.9 mt -59.92 -40.45 82.91 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.547 0 O-C-N 121.412 -1.052 . . . . 0.0 110.105 -179.855 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -55.45 -47.01 76.73 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 120.897 -1.127 . . . . 0.0 108.855 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 17.4 ttmm -68.43 -44.45 74.95 Favored 'General case' 0 C--N 1.3 -1.56 0 C-N-CA 119.59 -0.844 . . . . 0.0 109.314 179.029 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.19 -36.34 83.74 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.476 -0.765 . . . . 0.0 109.039 179.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.463 ' N ' ' O ' ' A' ' 5' ' ' ILE . 55.4 tt0 -58.84 -40.28 83.76 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.337 -0.852 . . . . 0.0 109.309 -179.401 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -60.67 -39.94 90.24 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.067 -1.021 . . . . 0.0 108.391 178.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.7 tm-20 -60.48 -41.26 93.85 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.334 -0.854 . . . . 0.0 108.875 178.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.537 ' O ' ' N ' ' A' ' 16' ' ' HIS . 17.6 t60 -61.77 -44.77 96.23 Favored 'General case' 0 C--N 1.304 -1.412 0 C-N-CA 119.289 -0.964 . . . . 0.0 109.88 179.76 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.1 tp10 -60.53 -45.28 94.41 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.06 -1.025 . . . . 0.0 110.34 -179.19 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 52.6 mtmt -60.98 -32.2 71.77 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.48 -0.762 . . . . 0.0 112.973 -178.157 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 52.0 m-85 -137.69 -6.02 1.73 Allowed 'General case' 0 N--CA 1.506 2.33 0 O-C-N 120.765 -1.209 . . . . 0.0 112.812 -176.609 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.537 ' N ' ' O ' ' A' ' 12' ' ' HIS . 91.8 m-70 53.97 46.43 25.58 Favored 'General case' 0 N--CA 1.495 1.784 0 N-CA-C 107.33 -1.359 . . . . 0.0 107.33 -177.58 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 87.7 p -69.06 159.68 32.43 Favored 'General case' 0 N--CA 1.486 1.355 0 CA-C-O 121.534 0.683 . . . . 0.0 110.616 -178.253 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -74.16 157.59 35.68 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 179.525 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 50.2 p-90 -59.25 -31.22 68.89 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.047 -1.033 . . . . 0.0 109.841 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 83.6 mtm180 -61.47 -40.67 95.36 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.936 -1.103 . . . . 0.0 108.691 179.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.89 -49.75 55.52 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.354 -0.841 . . . . 0.0 109.038 179.432 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 76.2 mtm -61.48 -41.81 97.83 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.141 -0.975 . . . . 0.0 109.635 179.672 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.525 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -59.92 -43.54 94.86 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.205 -0.935 . . . . 0.0 109.022 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 8.6 t -71.7 -34.78 69.9 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.626 -0.671 . . . . 0.0 109.949 179.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -61.77 -42.61 99.21 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.39 -0.819 . . . . 0.0 109.642 -179.41 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -108.2 0.15 21.3 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.64 -0.663 . . . . 0.0 110.227 -179.492 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.525 ' N ' ' O ' ' A' ' 23' ' ' ALA . 75.5 m-20 53.65 48.31 21.86 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.382 -0.824 . . . . 0.0 109.565 179.702 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 83.5 mt -112.34 149.29 40.79 Favored Pre-proline 0 N--CA 1.499 2.006 0 O-C-N 121.172 -0.955 . . . . 0.0 108.981 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_exo -44.66 145.3 2.81 Favored 'Trans proline' 0 N--CA 1.49 1.268 0 C-N-CA 121.785 1.657 . . . . 0.0 111.252 178.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -46.61 -39.19 22.9 Favored 'Trans proline' 0 C--N 1.31 -1.485 0 C-N-CA 121.34 1.36 . . . . 0.0 111.268 178.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 67.1 t -51.91 -48.34 39.96 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.573 0 O-C-N 121.721 -0.612 . . . . 0.0 110.595 -178.476 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 60.7 t -65.19 -48.14 84.78 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.726 0 C-N-CA 118.293 -1.363 . . . . 0.0 109.209 -178.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.96 -46.33 78.51 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.387 -0.821 . . . . 0.0 109.467 179.33 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -60.25 -36.61 78.15 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.021 -1.05 . . . . 0.0 110.583 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.8 tm-20 -62.89 -37.63 87.72 Favored 'General case' 0 N--CA 1.487 1.406 0 C-N-CA 119.306 -0.958 . . . . 0.0 110.064 -179.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 84.4 mt -60.2 -40.04 82.43 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.448 0 O-C-N 120.707 -1.246 . . . . 0.0 109.137 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 77.2 t -63.69 -39.45 85.4 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 178.473 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.411 ' O ' ' OE1' ' A' ' 44' ' ' GLN . . . -59.77 -29.54 68.26 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.345 -0.847 . . . . 0.0 109.093 179.153 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 44.8 m -78.15 -29.43 48.68 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.142 -0.974 . . . . 0.0 109.531 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 38.5 t -80.6 105.71 12.06 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.1 -1.0 . . . . 0.0 109.665 -179.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -61.84 -30.48 70.87 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.307 -0.871 . . . . 0.0 110.37 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -69.84 -39.76 76.25 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.105 -0.997 . . . . 0.0 110.915 -178.411 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 98.5 m -85.66 -35.15 21.09 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 120.658 -1.276 . . . . 0.0 110.389 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.415 ' NE2' ' CG ' ' B' ' 44' ' ' GLN . 48.1 tt0 . . . . . 0 N--CA 1.497 1.91 0 O-C-N 121.065 -1.022 . . . . 0.0 110.955 -178.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 . . . . . 0 N--CA 1.488 1.437 0 CA-C-O 121.306 0.574 . . . . 0.0 109.977 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 53.3 mt -71.92 -31.18 66.1 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.303 -0.873 . . . . 0.0 112.141 -178.199 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 54.2 t0 -61.74 -51.25 69.11 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 120.541 -1.35 . . . . 0.0 110.923 -178.07 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.52 -42.37 73.14 Favored Glycine 0 N--CA 1.491 2.313 0 N-CA-C 109.664 -1.375 . . . . 0.0 109.664 -179.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 91.4 mt -59.34 -40.62 81.94 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.613 0 O-C-N 121.272 -1.134 . . . . 0.0 110.28 -179.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -55.73 -47.58 76.68 Favored 'General case' 0 C--N 1.303 -1.42 0 C-N-CA 119.101 -1.04 . . . . 0.0 108.474 -179.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 17.7 ttmm -68.34 -44.47 75.23 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.407 -0.808 . . . . 0.0 109.392 179.241 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.67 -35.98 82.78 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.384 -0.823 . . . . 0.0 109.087 179.516 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -58.06 -40.6 81.4 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.301 -0.874 . . . . 0.0 109.157 -179.537 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -60.41 -39.87 88.93 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.037 -1.04 . . . . 0.0 108.548 179.192 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 14.2 tm-20 -60.9 -40.74 94.24 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 119.53 -0.868 . . . . 0.0 108.86 179.209 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' HIS . . . . . 0.562 ' O ' ' N ' ' B' ' 16' ' ' HIS . 17.5 t60 -62.23 -44.82 95.71 Favored 'General case' 0 C--N 1.301 -1.503 0 C-N-CA 119.277 -0.969 . . . . 0.0 109.94 179.602 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 46.1 tp10 -60.69 -45.01 95.82 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.09 -1.006 . . . . 0.0 110.221 -179.391 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 52.5 mtmt -61.02 -32.54 72.14 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.295 -0.878 . . . . 0.0 112.886 -178.226 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 49.7 m-85 -137.26 -6.28 1.81 Allowed 'General case' 0 N--CA 1.509 2.505 0 O-C-N 120.667 -1.27 . . . . 0.0 112.903 -176.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.562 ' N ' ' O ' ' B' ' 12' ' ' HIS . 91.4 m-70 54.27 46.41 25.25 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 120.586 -1.321 . . . . 0.0 107.446 -177.587 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 88.6 p -68.61 159.43 32.01 Favored 'General case' 0 C--N 1.302 -1.467 0 CA-C-O 121.487 0.66 . . . . 0.0 110.608 -178.464 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -74.52 157.32 35.71 Favored 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 179.199 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 49.7 p-90 -58.89 -31.41 68.58 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 120.98 -1.075 . . . . 0.0 109.841 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 83.0 mtm180 -61.31 -40.53 94.54 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.866 -1.146 . . . . 0.0 108.768 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.95 -48.9 62.06 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.345 -0.847 . . . . 0.0 109.128 179.246 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 76.2 mtm -62.08 -41.81 98.56 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.095 -1.003 . . . . 0.0 109.699 179.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . 0.524 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -59.71 -43.27 94.19 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.166 -0.959 . . . . 0.0 109.014 179.764 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 9.0 t -71.77 -34.93 69.86 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.528 -0.733 . . . . 0.0 110.079 179.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -61.49 -42.95 99.56 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.461 -0.774 . . . . 0.0 109.72 -179.277 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -108.45 -0.02 20.75 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.698 -0.626 . . . . 0.0 110.276 -179.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . 0.524 ' N ' ' O ' ' B' ' 23' ' ' ALA . 77.5 m-20 54.2 47.46 23.09 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.388 -0.82 . . . . 0.0 109.642 179.582 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 82.1 mt -111.38 149.41 40.58 Favored Pre-proline 0 N--CA 1.499 1.982 0 O-C-N 121.28 -0.887 . . . . 0.0 109.624 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_exo -44.1 144.14 2.91 Favored 'Trans proline' 0 N--CA 1.488 1.15 0 C-N-CA 121.654 1.569 . . . . 0.0 111.386 178.516 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -45.7 -39.28 18.07 Favored 'Trans proline' 0 C--N 1.312 -1.389 0 C-N-CA 121.435 1.423 . . . . 0.0 111.062 178.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 69.0 t -51.84 -49.37 36.89 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.58 0 O-C-N 121.822 -0.549 . . . . 0.0 110.635 -178.553 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 58.8 t -64.72 -47.88 86.88 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.935 0 C-N-CA 118.315 -1.354 . . . . 0.0 109.22 -178.612 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.03 -46.38 78.07 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.084 -1.01 . . . . 0.0 109.594 179.139 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -60.24 -36.4 77.66 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.151 -0.968 . . . . 0.0 110.546 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 13.5 tm-20 -63.13 -37.86 88.89 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 120.915 -1.116 . . . . 0.0 109.922 -179.038 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 87.7 mt -59.58 -40.19 81.4 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.399 0 O-C-N 120.947 -1.096 . . . . 0.0 109.029 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 78.1 t -63.56 -39.27 84.73 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 178.587 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . 0.555 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -59.83 -30.1 68.72 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.415 -0.803 . . . . 0.0 108.928 179.07 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 35.4 m -77.67 -28.98 51.32 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.06 -1.025 . . . . 0.0 109.681 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 40.3 t -81.34 105.22 12.35 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.261 -0.9 . . . . 0.0 109.554 -179.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -61.36 -30.82 70.76 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.612 -0.68 . . . . 0.0 110.305 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -69.5 -39.75 77.41 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 120.977 -1.077 . . . . 0.0 111.199 -178.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 91.4 m -85.81 -35.57 20.59 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 120.813 -1.18 . . . . 0.0 110.136 -179.627 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . 0.555 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 6.2 tt0 . . . . . 0 N--CA 1.498 1.961 0 O-C-N 120.643 -1.286 . . . . 0.0 111.167 -178.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 . . . . . 0 N--CA 1.491 1.583 0 CA-C-O 121.442 0.639 . . . . 0.0 110.245 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 25.0 mt -70.1 -29.97 67.07 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.503 -0.748 . . . . 0.0 111.681 -177.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -62.57 -52.39 63.6 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.431 -1.418 . . . . 0.0 111.45 -178.039 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.89 -43.77 57.48 Favored Glycine 0 N--CA 1.489 2.201 0 N-CA-C 110.077 -1.209 . . . . 0.0 110.077 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.439 ' O ' ' N ' ' A' ' 9' ' ' GLN . 96.0 mt -58.7 -40.22 78.82 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.549 0 O-C-N 121.053 -1.263 . . . . 0.0 109.942 -179.523 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 57.0 t0 -56.23 -44.44 79.59 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 120.837 -1.165 . . . . 0.0 108.925 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.2 ttmp? -68.48 -46.24 70.25 Favored 'General case' 0 N--CA 1.494 1.759 0 C-N-CA 119.34 -0.944 . . . . 0.0 109.044 178.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.29 -34.91 78.71 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.496 -0.753 . . . . 0.0 109.453 179.527 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.439 ' N ' ' O ' ' A' ' 5' ' ' ILE . 6.7 tt0 -58.64 -39.88 81.83 Favored 'General case' 0 C--N 1.305 -1.347 0 O-C-N 121.313 -0.867 . . . . 0.0 109.35 -179.102 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -60.73 -39.78 89.92 Favored 'General case' 0 C--N 1.305 -1.349 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 178.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.8 tm-20 -60.5 -40.72 92.39 Favored 'General case' 0 N--CA 1.492 1.644 0 N-CA-C 108.223 -1.029 . . . . 0.0 108.223 179.132 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.551 ' O ' ' N ' ' A' ' 16' ' ' HIS . 16.3 t60 -62.55 -47.26 84.66 Favored 'General case' 0 C--N 1.306 -1.311 0 C-N-CA 119.261 -0.976 . . . . 0.0 109.752 179.643 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 76.0 tt0 -59.53 -45.58 91.34 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.053 -1.029 . . . . 0.0 110.244 -178.258 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 52.4 mtpt -60.69 -30.8 70.15 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.207 -0.933 . . . . 0.0 113.403 -178.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -138.85 -5.79 1.49 Allowed 'General case' 0 N--CA 1.507 2.397 0 O-C-N 120.515 -1.365 . . . . 0.0 112.519 -176.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.551 ' N ' ' O ' ' A' ' 12' ' ' HIS . 93.0 m-70 54.89 42.35 31.17 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 -177.653 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 96.3 p -61.05 156.45 17.9 Favored 'General case' 0 C--N 1.302 -1.481 0 C-N-CA 120.105 -0.638 . . . . 0.0 109.983 -179.06 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 33.5 m120 -73.06 155.08 40.13 Favored 'General case' 0 C--N 1.305 -1.344 0 O-C-N 121.264 -0.897 . . . . 0.0 109.425 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 34.0 p-90 -55.96 -29.42 60.18 Favored 'General case' 0 C--N 1.298 -1.655 0 C-N-CA 119.126 -1.03 . . . . 0.0 109.357 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 84.6 mtm180 -63.89 -40.78 97.33 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 120.86 -1.15 . . . . 0.0 110.209 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.02 -47.36 68.65 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.217 -0.927 . . . . 0.0 109.976 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 77.9 mtm -60.68 -38.36 84.68 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.065 -1.022 . . . . 0.0 109.615 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.505 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -56.67 -49.31 75.46 Favored 'General case' 0 C--N 1.301 -1.529 0 C-N-CA 118.993 -1.083 . . . . 0.0 108.532 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 21.5 t -69.85 -35.2 74.53 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.43 -0.794 . . . . 0.0 110.37 -179.642 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 58.4 t0 -59.07 -46.57 87.94 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.226 -0.921 . . . . 0.0 110.202 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -108.41 3.31 23.14 Favored 'General case' 0 N--CA 1.502 2.126 0 O-C-N 121.261 -0.899 . . . . 0.0 110.43 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.505 ' N ' ' O ' ' A' ' 23' ' ' ALA . 81.9 m-20 55.94 44.89 24.95 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.17 -0.956 . . . . 0.0 109.695 179.418 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 60.7 mt -108.54 152.28 42.03 Favored Pre-proline 0 N--CA 1.501 2.112 0 N-CA-C 107.683 -1.229 . . . . 0.0 107.683 179.437 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_endo -63.52 151.42 85.08 Favored 'Trans proline' 0 N--CA 1.49 1.313 0 C-N-CA 121.391 1.394 . . . . 0.0 111.26 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_exo -43.26 -38.78 8.24 Favored 'Trans proline' 0 N--CA 1.491 1.372 0 C-N-CA 122.463 2.109 . . . . 0.0 111.914 179.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 25.6 t -51.71 -51.5 26.75 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.63 0 O-C-N 121.417 -0.802 . . . . 0.0 110.471 -178.681 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 91.8 t -65.89 -46.85 87.38 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.753 0 C-N-CA 118.702 -1.199 . . . . 0.0 109.647 -178.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.72 -44.34 81.85 Favored 'General case' 0 C--N 1.299 -1.618 0 C-N-CA 119.584 -0.846 . . . . 0.0 109.983 -179.539 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.516 ' NZ ' ' OE2' ' B' ' 35' ' ' GLU . 10.2 mtpm? -61.21 -37.37 82.74 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.201 -0.937 . . . . 0.0 110.307 -179.775 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.42 ' OE2' ' NZ ' ' B' ' 34' ' ' LYS . 14.2 tm-20 -61.04 -36.91 80.82 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.883 -1.135 . . . . 0.0 109.77 -178.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 84.2 mt -59.72 -39.63 80.22 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.405 0 O-C-N 120.855 -1.153 . . . . 0.0 108.38 179.285 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 81.3 t -63.45 -39.37 85.07 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 O-C-N 121.303 -0.873 . . . . 0.0 109.097 179.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.44 ' O ' ' OE1' ' A' ' 44' ' ' GLN . . . -59.83 -33.94 72.43 Favored 'General case' 0 C--N 1.3 -1.568 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 179.532 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 34.8 m -74.53 -29.92 61.57 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.16 -0.962 . . . . 0.0 109.727 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 50.7 t -82.16 103.17 11.57 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.16 -0.963 . . . . 0.0 109.173 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -60.15 -30.01 69.03 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 120.967 -1.083 . . . . 0.0 110.373 -179.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -69.2 -38.73 78.78 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 120.888 -1.133 . . . . 0.0 110.922 -178.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 94.2 m -90.55 -14.96 31.52 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.216 -0.928 . . . . 0.0 109.65 179.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.44 ' OE1' ' O ' ' A' ' 38' ' ' ALA . 35.1 tt0 . . . . . 0 N--CA 1.497 1.89 0 O-C-N 121.184 -0.947 . . . . 0.0 109.562 -178.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 . . . . . 0 N--CA 1.495 1.791 0 CA-C-O 121.476 0.655 . . . . 0.0 110.082 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 26.6 mt -70.33 -29.85 66.66 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.204 -0.935 . . . . 0.0 111.192 -178.095 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -62.37 -54.57 38.49 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 120.549 -1.345 . . . . 0.0 111.334 -178.173 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.7 -44.26 71.49 Favored Glycine 0 N--CA 1.493 2.485 0 N-CA-C 109.816 -1.313 . . . . 0.0 109.816 -179.528 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . 0.475 ' O ' ' N ' ' B' ' 9' ' ' GLN . 96.8 mt -58.78 -40.03 78.61 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.384 0 O-C-N 121.382 -1.07 . . . . 0.0 110.274 -179.264 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 57.1 t0 -57.35 -43.73 83.73 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 120.722 -1.236 . . . . 0.0 108.112 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 4.4 ttmp? -68.15 -47.59 67.66 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 118.947 -1.101 . . . . 0.0 109.238 178.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.43 -35.27 79.89 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.482 -0.761 . . . . 0.0 109.476 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . 0.475 ' N ' ' O ' ' B' ' 5' ' ' ILE . 6.9 tt0 -56.98 -39.68 75.09 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.276 -0.89 . . . . 0.0 109.335 -179.327 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -60.58 -40.64 92.44 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 178.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 14.0 tm-20 -59.27 -41.56 89.15 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.182 -0.949 . . . . 0.0 108.756 179.255 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' HIS . . . . . 0.582 ' O ' ' N ' ' B' ' 16' ' ' HIS . 17.5 t60 -61.56 -47.1 87.05 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.118 -0.989 . . . . 0.0 109.962 179.737 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -59.75 -45.01 93.54 Favored 'General case' 0 C--N 1.293 -1.852 0 O-C-N 121.091 -1.005 . . . . 0.0 110.627 -178.517 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 52.4 mtpt -60.96 -33.26 72.92 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.484 -0.76 . . . . 0.0 112.988 -178.49 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -136.37 -5.32 2.05 Favored 'General case' 0 N--CA 1.506 2.354 0 O-C-N 120.781 -1.199 . . . . 0.0 112.416 -176.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.582 ' N ' ' O ' ' B' ' 12' ' ' HIS . 93.1 m-70 54.88 40.71 32.11 Favored 'General case' 0 N--CA 1.499 2.001 0 N-CA-C 107.33 -1.359 . . . . 0.0 107.33 -177.493 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 90.9 p -59.52 154.04 18.24 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.638 -0.664 . . . . 0.0 110.216 -179.026 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 35.6 m120 -71.53 155.96 39.97 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.488 -0.757 . . . . 0.0 108.983 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 40.1 p-90 -57.25 -29.08 63.51 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.795 -1.191 . . . . 0.0 109.729 -179.642 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 83.6 mtm180 -63.04 -39.96 96.29 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.03 -1.044 . . . . 0.0 110.322 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.93 -47.34 62.79 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.403 -0.811 . . . . 0.0 110.136 -179.621 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 78.0 mtm -60.53 -38.38 84.26 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.24 -0.912 . . . . 0.0 108.953 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . 0.496 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -56.76 -49.74 74.36 Favored 'General case' 0 N--CA 1.49 1.56 0 C-N-CA 119.597 -0.841 . . . . 0.0 109.454 179.444 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 16.8 t -70.03 -33.73 72.36 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.147 -0.97 . . . . 0.0 110.038 179.583 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -59.62 -46.25 89.52 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.985 -1.072 . . . . 0.0 109.922 -179.089 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -109.43 3.37 21.34 Favored 'General case' 0 N--CA 1.503 2.211 0 O-C-N 121.459 -0.776 . . . . 0.0 110.547 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . 0.496 ' N ' ' O ' ' B' ' 23' ' ' ALA . 79.8 m-20 55.42 48.04 19.86 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.013 -1.054 . . . . 0.0 109.687 179.553 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 62.5 mt -111.56 151.4 43.29 Favored Pre-proline 0 N--CA 1.503 2.186 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 179.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_endo -62.0 151.11 83.48 Favored 'Trans proline' 0 C--N 1.314 -1.289 0 C-N-CA 121.008 1.138 . . . . 0.0 111.619 -179.561 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_exo -43.3 -39.09 8.61 Favored 'Trans proline' 0 N--CA 1.493 1.467 0 C-N-CA 122.588 2.192 . . . . 0.0 111.35 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 23.8 t -51.01 -53.8 12.91 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.736 0 O-C-N 121.625 -0.672 . . . . 0.0 110.301 -178.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 94.1 t -63.79 -46.9 93.17 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.85 0 C-N-CA 118.588 -1.245 . . . . 0.0 110.134 -178.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.16 -42.99 83.39 Favored 'General case' 0 C--N 1.299 -1.624 0 C-N-CA 119.494 -0.883 . . . . 0.0 109.873 -179.594 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.42 ' NZ ' ' OE2' ' A' ' 35' ' ' GLU . 10.2 mtpm? -62.7 -35.49 79.88 Favored 'General case' 0 N--CA 1.486 1.363 0 O-C-N 120.851 -1.155 . . . . 0.0 110.325 -179.437 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . 0.516 ' OE2' ' NZ ' ' A' ' 34' ' ' LYS . 15.1 tm-20 -62.39 -36.46 82.38 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 120.834 -1.166 . . . . 0.0 109.757 -179.239 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 82.9 mt -60.49 -39.91 82.68 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.465 0 C-N-CA 119.169 -1.012 . . . . 0.0 108.28 179.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 76.7 t -63.24 -39.36 84.96 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.584 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 178.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . 0.546 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -60.27 -33.05 71.77 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.543 -0.723 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 36.1 m -76.68 -27.72 55.67 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.261 -0.9 . . . . 0.0 109.801 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 51.6 t -82.54 104.76 13.05 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.053 -1.03 . . . . 0.0 109.2 179.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -61.48 -29.32 69.9 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.337 -0.852 . . . . 0.0 110.491 -179.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -70.27 -39.27 75.05 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.109 -0.995 . . . . 0.0 110.524 -178.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 84.0 m -89.71 -16.25 30.79 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.264 -0.898 . . . . 0.0 109.696 179.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . 0.546 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 22.6 tt0 . . . . . 0 N--CA 1.496 1.839 0 O-C-N 121.141 -0.975 . . . . 0.0 110.205 -179.405 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . 0.49 ' CE2' ' CE2' ' B' ' 1' ' ' PHE . 76.2 m-85 . . . . . 0 N--CA 1.49 1.55 0 CA-C-O 121.123 0.487 . . . . 0.0 109.905 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 37.0 mt -72.12 -34.89 68.92 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.313 -0.867 . . . . 0.0 111.854 -178.245 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -62.22 -47.85 82.61 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.728 -1.232 . . . . 0.0 110.85 -178.244 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.06 -43.24 49.16 Favored Glycine 0 N--CA 1.494 2.546 0 N-CA-C 109.168 -1.573 . . . . 0.0 109.168 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.509 ' O ' ' N ' ' A' ' 9' ' ' GLN . 80.1 mt -59.49 -39.43 79.22 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.486 0 O-C-N 121.235 -1.156 . . . . 0.0 109.697 179.711 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 51.7 t0 -55.45 -49.31 72.79 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 120.746 -1.221 . . . . 0.0 109.055 -179.604 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 58.1 mttm -68.96 -40.04 79.14 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 120.899 -1.126 . . . . 0.0 109.504 179.183 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.46 -35.58 77.77 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.274 -0.891 . . . . 0.0 109.747 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.509 ' N ' ' O ' ' A' ' 5' ' ' ILE . 53.4 tt0 -59.49 -40.06 85.78 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 108.585 -0.895 . . . . 0.0 108.585 -179.631 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 74.5 tt0 -61.08 -41.95 97.59 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.019 -1.051 . . . . 0.0 108.64 178.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.6 tm-20 -60.73 -40.25 91.67 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.544 -0.722 . . . . 0.0 109.085 179.49 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.545 ' O ' ' N ' ' A' ' 16' ' ' HIS . 14.7 t60 -60.79 -46.12 91.73 Favored 'General case' 0 C--N 1.304 -1.398 0 C-N-CA 119.575 -0.85 . . . . 0.0 109.688 179.611 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -60.24 -44.35 95.32 Favored 'General case' 0 C--N 1.297 -1.704 0 O-C-N 121.39 -0.819 . . . . 0.0 109.985 -179.619 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 50.5 mtmt -61.88 -31.44 71.72 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.467 -0.77 . . . . 0.0 112.963 -178.287 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 65.1 m-85 -138.18 -7.42 1.57 Allowed 'General case' 0 N--CA 1.506 2.349 0 O-C-N 120.755 -1.216 . . . . 0.0 112.541 -176.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.545 ' N ' ' O ' ' A' ' 12' ' ' HIS . 87.5 m-70 54.62 40.67 32.02 Favored 'General case' 0 N--CA 1.497 1.888 0 N-CA-C 107.235 -1.395 . . . . 0.0 107.235 -177.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 89.7 p -64.05 156.85 26.88 Favored 'General case' 0 N--CA 1.488 1.427 0 CA-C-O 121.45 0.643 . . . . 0.0 111.033 -178.118 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -71.05 157.92 37.38 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.473 -0.767 . . . . 0.0 109.099 179.289 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 54.0 p-90 -57.1 -29.66 63.69 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.245 -0.91 . . . . 0.0 110.318 -179.57 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 75.6 mtm180 -63.15 -40.51 97.78 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.86 -1.15 . . . . 0.0 109.885 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.34 -49.04 65.72 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.198 -0.939 . . . . 0.0 109.441 -179.427 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 79.4 mtm -61.19 -40.47 94.05 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.145 -0.972 . . . . 0.0 109.41 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.475 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -57.66 -45.99 84.8 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 119.394 -0.923 . . . . 0.0 109.26 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 20.4 m -69.94 -38.52 76.19 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.388 -0.82 . . . . 0.0 110.428 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -60.18 -40.38 89.78 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.097 -1.002 . . . . 0.0 110.607 -178.563 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -111.36 3.15 18.02 Favored 'General case' 0 N--CA 1.503 2.212 0 O-C-N 121.206 -0.934 . . . . 0.0 110.023 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.475 ' N ' ' O ' ' A' ' 23' ' ' ALA . 82.2 m-20 55.79 42.6 28.91 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.362 -0.836 . . . . 0.0 110.279 179.699 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 69.8 mt -106.74 149.9 39.02 Favored Pre-proline 0 N--CA 1.498 1.974 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 179.257 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_endo -60.83 153.68 61.21 Favored 'Trans proline' 0 N--CA 1.493 1.482 0 C-N-CA 121.842 1.694 . . . . 0.0 112.082 -179.285 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_exo -43.11 -41.46 9.46 Favored 'Trans proline' 0 C--N 1.312 -1.382 0 C-N-CA 122.489 2.126 . . . . 0.0 112.767 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.8 t -52.6 -50.11 42.01 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.809 0 O-C-N 121.191 -0.943 . . . . 0.0 110.385 -177.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 57.9 t -65.77 -48.29 82.77 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.932 0 C-N-CA 118.716 -1.194 . . . . 0.0 109.184 -178.571 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.59 -46.76 78.15 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.282 -0.886 . . . . 0.0 109.929 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 88.2 mttt -61.52 -36.12 79.66 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 120.976 -1.078 . . . . 0.0 110.505 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.4 tm-20 -60.72 -39.92 90.4 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 120.857 -1.152 . . . . 0.0 109.979 -179.25 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 73.0 mt -59.63 -40.14 81.41 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 O-C-N 121.141 -0.975 . . . . 0.0 108.829 179.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 89.7 t -63.09 -40.03 87.5 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.4 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 179.394 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.15 -30.77 70.59 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.48 -0.762 . . . . 0.0 109.626 179.607 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.4 m -77.57 -27.08 51.34 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.037 -1.039 . . . . 0.0 109.206 -179.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 42.6 t -80.92 104.17 11.24 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.162 -0.961 . . . . 0.0 109.761 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -60.02 -30.88 69.45 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.576 -0.702 . . . . 0.0 110.048 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 42.6 mtpt -71.19 -40.19 71.37 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.05 -1.031 . . . . 0.0 111.081 -178.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 69.4 m -84.75 -19.16 33.08 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 120.687 -1.258 . . . . 0.0 110.161 -179.473 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 . . . . . 0 N--CA 1.491 1.611 0 O-C-N 121.093 -1.004 . . . . 0.0 109.341 -179.725 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . 0.49 ' CE2' ' CE2' ' A' ' 1' ' ' PHE . 75.0 m-85 . . . . . 0 N--CA 1.487 1.423 0 CA-C-O 121.305 0.574 . . . . 0.0 109.94 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 33.9 mt -72.44 -33.37 67.02 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.299 -0.876 . . . . 0.0 111.783 -178.544 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -63.46 -48.0 79.49 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 120.713 -1.242 . . . . 0.0 110.494 -178.295 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.7 -43.34 51.9 Favored Glycine 0 N--CA 1.492 2.412 0 N-CA-C 109.307 -1.517 . . . . 0.0 109.307 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . 0.418 ' O ' ' N ' ' B' ' 9' ' ' GLN . 78.1 mt -59.6 -39.38 79.33 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.461 0 O-C-N 121.661 -0.905 . . . . 0.0 109.624 179.728 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -55.69 -48.25 75.43 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 120.854 -1.154 . . . . 0.0 109.063 -179.405 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 59.1 mttm -69.65 -40.91 76.22 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 120.944 -1.097 . . . . 0.0 109.51 179.248 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.18 -35.04 77.4 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.359 -0.838 . . . . 0.0 109.929 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' B' ' 5' ' ' ILE . 53.1 tt0 -59.48 -39.81 84.93 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.021 -1.049 . . . . 0.0 108.771 -179.844 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 74.6 tt0 -61.14 -41.98 97.72 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.267 -0.896 . . . . 0.0 108.616 178.687 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 12.5 tm-20 -60.51 -40.41 91.32 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.503 -0.748 . . . . 0.0 109.093 179.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' HIS . . . . . 0.572 ' O ' ' N ' ' B' ' 16' ' ' HIS . 15.6 t60 -60.73 -45.7 93.26 Favored 'General case' 0 C--N 1.305 -1.366 0 C-N-CA 119.516 -0.874 . . . . 0.0 109.834 179.482 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -60.44 -44.61 95.65 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.202 -0.936 . . . . 0.0 109.901 -179.625 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 50.7 mtmt -61.23 -32.45 72.24 Favored 'General case' 0 N--CA 1.495 1.786 0 N-CA-C 113.157 0.799 . . . . 0.0 113.157 -178.456 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 63.3 m-85 -137.12 -7.16 1.81 Allowed 'General case' 0 N--CA 1.507 2.417 0 O-C-N 120.741 -1.224 . . . . 0.0 112.466 -176.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.572 ' N ' ' O ' ' B' ' 12' ' ' HIS . 85.7 m-70 54.46 39.83 31.34 Favored 'General case' 0 N--CA 1.495 1.795 0 N-CA-C 107.087 -1.449 . . . . 0.0 107.087 -177.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 88.3 p -62.95 156.91 23.1 Favored 'General case' 0 N--CA 1.488 1.447 0 CA-C-O 121.523 0.678 . . . . 0.0 111.249 -178.342 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -70.84 158.25 36.71 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 179.281 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 54.7 p-90 -57.44 -30.19 64.81 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.197 -0.939 . . . . 0.0 110.171 -179.47 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 75.7 mtm180 -62.92 -40.26 97.07 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.821 -1.174 . . . . 0.0 109.94 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.01 -49.07 66.45 Favored 'General case' 0 C--N 1.299 -1.587 0 O-C-N 121.172 -0.955 . . . . 0.0 109.412 -179.426 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 79.0 mtm -61.54 -40.12 93.53 Favored 'General case' 0 C--N 1.298 -1.66 0 O-C-N 121.099 -1.001 . . . . 0.0 109.817 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . 0.468 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -58.13 -45.29 87.6 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.203 -0.936 . . . . 0.0 109.512 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 25.3 m -70.01 -38.77 76.03 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.251 -0.906 . . . . 0.0 110.634 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -60.06 -40.57 89.95 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.312 -0.868 . . . . 0.0 110.533 -178.334 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -111.14 1.64 17.41 Favored 'General case' 0 N--CA 1.502 2.127 0 O-C-N 121.383 -0.823 . . . . 0.0 110.135 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . 0.468 ' N ' ' O ' ' B' ' 23' ' ' ALA . 81.1 m-20 56.75 42.94 26.02 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.633 -0.667 . . . . 0.0 110.27 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 73.4 mt -106.52 149.52 38.44 Favored Pre-proline 0 N--CA 1.496 1.869 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 179.31 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_endo -61.23 154.05 60.74 Favored 'Trans proline' 0 N--CA 1.494 1.542 0 C-N-CA 121.829 1.686 . . . . 0.0 111.975 -179.087 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -43.33 -40.7 9.87 Favored 'Trans proline' 0 C--N 1.314 -1.274 0 C-N-CA 122.515 2.144 . . . . 0.0 112.625 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 57.3 t -53.67 -50.25 51.89 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.749 0 C-N-CA 119.511 -0.876 . . . . 0.0 110.523 -177.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 59.2 t -65.59 -47.44 86.34 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.945 0 C-N-CA 118.617 -1.233 . . . . 0.0 109.36 -178.712 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.83 -47.74 74.0 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.27 -0.894 . . . . 0.0 109.974 179.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -61.01 -35.48 76.97 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 121.202 -0.936 . . . . 0.0 110.526 -179.548 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.9 tm-20 -60.73 -39.86 90.23 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.858 -1.151 . . . . 0.0 109.996 -179.394 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 74.5 mt -60.3 -39.69 81.6 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.297 0 O-C-N 120.991 -1.068 . . . . 0.0 108.849 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 89.3 t -63.23 -40.15 87.95 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.514 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 179.43 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . 0.436 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -61.33 -30.76 70.71 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.612 -0.68 . . . . 0.0 109.731 179.348 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 15.3 m -77.42 -26.19 51.44 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.208 -0.933 . . . . 0.0 109.11 -179.607 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 43.6 t -81.77 104.46 12.17 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 119.942 -0.703 . . . . 0.0 109.776 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -60.37 -31.64 70.53 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.448 -0.782 . . . . 0.0 110.147 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 42.7 mtpt -70.26 -40.02 74.63 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.016 -1.053 . . . . 0.0 111.209 -178.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 67.5 m -85.2 -19.35 31.82 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 120.681 -1.262 . . . . 0.0 110.353 -179.262 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . 0.436 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 12.3 tt0 . . . . . 0 N--CA 1.49 1.543 0 O-C-N 121.145 -0.972 . . . . 0.0 109.113 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . 0.532 ' CE2' ' CE2' ' B' ' 1' ' ' PHE . 62.7 m-85 . . . . . 0 N--CA 1.493 1.677 0 CA-C-O 121.578 0.704 . . . . 0.0 109.631 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 43.2 mt -72.52 -41.4 65.92 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.496 -0.753 . . . . 0.0 110.865 -178.464 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 60.8 t0 -63.83 -53.55 48.9 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 120.897 -1.127 . . . . 0.0 110.895 -179.067 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.18 -45.05 96.74 Favored Glycine 0 N--CA 1.495 2.576 0 N-CA-C 110.396 -1.081 . . . . 0.0 110.396 -179.288 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 68.9 mt -59.57 -39.02 78.32 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.31 -1.112 . . . . 0.0 110.524 -179.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -55.46 -45.32 76.91 Favored 'General case' 0 C--N 1.302 -1.485 0 C-N-CA 118.876 -1.13 . . . . 0.0 109.422 -179.129 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -69.93 -43.43 71.67 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.149 -0.97 . . . . 0.0 109.112 179.452 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.32 -34.97 79.19 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 119.584 -0.847 . . . . 0.0 109.681 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -58.44 -41.4 85.0 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 120.98 -1.075 . . . . 0.0 109.628 -179.037 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -62.12 -41.21 98.01 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.838 -1.164 . . . . 0.0 108.693 179.027 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -60.0 -40.69 90.05 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 179.031 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.577 ' O ' ' N ' ' A' ' 16' ' ' HIS . 13.5 t60 -61.76 -47.5 84.9 Favored 'General case' 0 C--N 1.306 -1.304 0 CA-C-O 121.572 0.701 . . . . 0.0 110.117 179.648 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.2 tp10 -60.72 -41.56 95.55 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 120.922 -1.111 . . . . 0.0 109.861 -179.116 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -60.88 -31.92 71.38 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.498 -0.751 . . . . 0.0 112.367 -178.547 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -140.07 -4.93 1.31 Allowed 'General case' 0 N--CA 1.508 2.432 0 O-C-N 120.722 -1.236 . . . . 0.0 112.788 -177.089 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.577 ' N ' ' O ' ' A' ' 12' ' ' HIS . 90.0 m-70 54.04 42.33 31.66 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 120.191 -1.568 . . . . 0.0 107.309 -177.605 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 93.9 p -63.92 156.89 26.33 Favored 'General case' 0 C--N 1.303 -1.442 0 CA-C-O 121.553 0.692 . . . . 0.0 110.709 -178.494 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -73.05 156.22 38.98 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.371 -0.831 . . . . 0.0 109.288 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 36.1 p-90 -54.46 -30.56 53.28 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.093 -1.004 . . . . 0.0 110.242 -179.247 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 59.5 mtp180 -61.05 -40.25 92.92 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.902 -1.124 . . . . 0.0 109.529 -179.695 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.85 -50.02 53.45 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.406 -0.809 . . . . 0.0 109.695 -179.732 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 78.6 mtm -60.79 -39.72 89.96 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.216 -0.927 . . . . 0.0 109.662 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.523 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -60.4 -47.34 86.49 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.147 -0.97 . . . . 0.0 109.149 179.583 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 62.8 m -69.38 -36.0 76.37 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.363 -0.836 . . . . 0.0 110.14 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -61.38 -41.53 97.24 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.135 -0.978 . . . . 0.0 109.902 -179.41 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.47 ' O ' ' OD1' ' A' ' 27' ' ' ASN . 96.7 m-85 -110.25 5.67 21.94 Favored 'General case' 0 N--CA 1.502 2.169 0 O-C-N 121.432 -0.793 . . . . 0.0 110.044 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.562 ' ND2' ' O ' ' A' ' 27' ' ' ASN . 1.9 p-10 49.63 42.84 23.82 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.574 -0.704 . . . . 0.0 110.843 179.719 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 79.5 mt -106.83 146.38 32.99 Favored Pre-proline 0 N--CA 1.503 2.193 0 O-C-N 120.912 -1.117 . . . . 0.0 109.205 179.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_exo -47.42 144.98 9.17 Favored 'Trans proline' 0 N--CA 1.493 1.444 0 C-N-CA 121.416 1.411 . . . . 0.0 111.08 178.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_exo -43.45 -33.83 4.54 Favored 'Trans proline' 0 C--N 1.315 -1.209 0 C-N-CA 121.865 1.71 . . . . 0.0 111.575 179.53 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 53.1 t -51.2 -51.83 21.2 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.615 0 O-C-N 121.764 -0.585 . . . . 0.0 110.628 -178.279 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 93.1 t -64.5 -49.25 81.51 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.801 0 C-N-CA 118.939 -1.104 . . . . 0.0 109.315 -178.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.86 -45.8 87.81 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.571 -0.706 . . . . 0.0 109.717 179.718 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.3 mtpm? -61.24 -36.21 79.35 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.066 -1.021 . . . . 0.0 109.882 179.579 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -62.09 -38.61 89.51 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.111 -0.993 . . . . 0.0 110.392 -179.446 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 66.3 mt -60.44 -39.24 80.49 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 120.817 -1.177 . . . . 0.0 108.666 -179.649 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 71.7 t -61.74 -39.09 82.06 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.546 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 178.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.55 -33.42 72.64 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 179.087 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 21.8 m -76.03 -29.82 58.22 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.319 -0.863 . . . . 0.0 109.749 -179.652 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 43.1 t -82.33 101.66 10.72 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.339 -0.85 . . . . 0.0 109.548 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -60.93 -29.97 69.93 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.427 -0.796 . . . . 0.0 110.151 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -69.19 -41.15 77.54 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.075 -1.015 . . . . 0.0 110.348 -178.752 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 57.8 m -82.27 -30.0 30.91 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.937 -1.102 . . . . 0.0 109.574 179.569 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.532 HE21 ' CG ' ' B' ' 44' ' ' GLN . 39.4 tt0 . . . . . 0 N--CA 1.49 1.574 0 O-C-N 121.092 -1.005 . . . . 0.0 108.917 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . 0.532 ' CE2' ' CE2' ' A' ' 1' ' ' PHE . 65.2 m-85 . . . . . 0 N--CA 1.492 1.625 0 CA-C-O 121.572 0.701 . . . . 0.0 109.61 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 42.1 mt -73.41 -40.48 64.24 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.617 -0.677 . . . . 0.0 111.193 -178.149 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 62.6 t0 -64.35 -53.4 49.25 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.964 -1.085 . . . . 0.0 110.563 -179.071 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.28 -45.05 96.82 Favored Glycine 0 N--CA 1.493 2.436 0 N-CA-C 110.303 -1.119 . . . . 0.0 110.303 -179.219 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 72.8 mt -59.91 -38.3 75.79 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 121.297 -1.119 . . . . 0.0 110.402 -179.398 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -56.2 -44.95 79.97 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 120.743 -1.223 . . . . 0.0 109.332 -179.045 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -70.47 -42.96 70.73 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 120.956 -1.09 . . . . 0.0 109.253 179.415 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.8 -35.44 80.08 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.285 -0.884 . . . . 0.0 109.45 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -57.91 -41.13 81.98 Favored 'General case' 0 C--N 1.303 -1.45 0 C-N-CA 119.221 -0.992 . . . . 0.0 109.565 -179.193 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -62.87 -40.94 99.03 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.954 -1.091 . . . . 0.0 108.944 179.088 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -60.43 -39.98 89.44 Favored 'General case' 0 N--CA 1.49 1.553 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 178.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' HIS . . . . . 0.562 ' O ' ' N ' ' B' ' 16' ' ' HIS . 13.7 t60 -61.85 -48.07 82.21 Favored 'General case' 0 C--N 1.306 -1.285 0 O-C-N 121.451 -0.78 . . . . 0.0 110.113 179.633 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 35.0 tp10 -59.75 -41.73 91.62 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 120.973 -1.079 . . . . 0.0 110.209 -179.154 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 55.1 mtpt -60.8 -33.09 72.47 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.534 -0.729 . . . . 0.0 112.5 -178.432 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -138.9 -4.49 1.55 Allowed 'General case' 0 N--CA 1.508 2.44 0 O-C-N 120.708 -1.245 . . . . 0.0 112.63 -176.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.562 ' N ' ' O ' ' B' ' 12' ' ' HIS . 90.7 m-70 53.77 42.13 31.87 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.436 -1.415 . . . . 0.0 107.316 -177.298 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 91.8 p -63.25 156.45 25.46 Favored 'General case' 0 C--N 1.305 -1.356 0 CA-C-O 121.428 0.632 . . . . 0.0 110.56 -178.486 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -73.08 156.45 38.71 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.445 -0.784 . . . . 0.0 109.489 179.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 36.5 p-90 -54.33 -30.11 50.27 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.25 -0.906 . . . . 0.0 110.258 -179.407 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 59.4 mtp180 -61.3 -40.71 95.18 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.026 -1.046 . . . . 0.0 109.491 -179.65 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.71 -50.03 54.1 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.455 -0.778 . . . . 0.0 109.709 -179.464 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 78.8 mtm -60.81 -40.11 91.49 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.197 -0.939 . . . . 0.0 109.571 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . 0.504 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -59.91 -47.09 87.18 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.062 -1.024 . . . . 0.0 109.117 179.749 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 54.9 m -70.16 -36.48 74.73 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.366 -0.834 . . . . 0.0 110.282 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -60.67 -40.39 91.95 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.253 -0.904 . . . . 0.0 109.905 -179.046 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . 0.461 ' O ' ' OD1' ' B' ' 27' ' ' ASN . 96.7 m-85 -111.42 5.96 19.98 Favored 'General case' 0 N--CA 1.502 2.136 0 O-C-N 121.48 -0.763 . . . . 0.0 110.109 179.789 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . 0.589 ' ND2' ' O ' ' B' ' 27' ' ' ASN . 1.6 p-10 50.35 41.83 25.17 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.347 -0.846 . . . . 0.0 111.088 179.461 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 83.4 mt -106.47 147.79 35.58 Favored Pre-proline 0 N--CA 1.506 2.366 0 O-C-N 120.725 -1.234 . . . . 0.0 109.287 179.234 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -48.29 146.48 9.86 Favored 'Trans proline' 0 N--CA 1.491 1.341 0 C-N-CA 121.259 1.306 . . . . 0.0 111.184 178.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_exo -44.22 -34.24 6.76 Favored 'Trans proline' 0 C--N 1.31 -1.452 0 C-N-CA 121.884 1.722 . . . . 0.0 111.626 179.208 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 47.5 t -51.53 -51.36 25.96 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.624 -0.673 . . . . 0.0 110.701 -178.462 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 98.0 t -64.59 -49.09 82.07 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.736 0 C-N-CA 118.624 -1.23 . . . . 0.0 109.383 -179.057 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.37 -45.72 86.53 Favored 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 119.881 -0.728 . . . . 0.0 109.837 179.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 10.1 mtpm? -61.32 -36.69 80.83 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.862 -1.149 . . . . 0.0 109.708 179.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.3 tm-20 -61.12 -39.16 88.96 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.159 -0.963 . . . . 0.0 110.228 -179.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 67.3 mt -59.69 -40.47 82.4 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 120.912 -1.117 . . . . 0.0 108.718 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 69.0 t -60.45 -39.33 80.8 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.417 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 178.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . 0.538 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -61.26 -30.71 70.62 Favored 'General case' 0 N--CA 1.488 1.447 0 CA-C-O 121.705 0.764 . . . . 0.0 109.381 179.077 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 31.7 m -78.71 -29.67 45.54 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.212 -0.93 . . . . 0.0 109.594 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 41.0 t -83.03 101.65 11.25 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.24 -0.912 . . . . 0.0 109.249 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -60.77 -30.27 69.92 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.446 -0.784 . . . . 0.0 110.067 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 87.6 mttt -68.24 -41.41 81.23 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.084 -1.01 . . . . 0.0 110.234 -178.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 58.5 m -82.38 -29.72 30.71 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.939 -1.101 . . . . 0.0 109.63 179.531 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . 0.538 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 11.6 tt0 . . . . . 0 N--CA 1.493 1.675 0 O-C-N 121.191 -0.943 . . . . 0.0 108.817 -179.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 . . . . . 0 N--CA 1.49 1.559 0 CA-C-O 121.532 0.682 . . . . 0.0 109.407 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 23.1 mt -73.69 -40.07 63.9 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.349 -0.845 . . . . 0.0 111.369 -178.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -63.95 -46.16 85.93 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 120.857 -1.152 . . . . 0.0 110.949 -178.266 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.16 -47.57 52.21 Favored Glycine 0 N--CA 1.491 2.366 0 N-CA-C 109.478 -1.449 . . . . 0.0 109.478 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.413 ' O ' ' N ' ' A' ' 9' ' ' GLN . 91.2 mt -59.36 -39.21 78.45 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.34 -1.094 . . . . 0.0 110.223 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -53.15 -49.46 66.56 Favored 'General case' 0 N--CA 1.485 1.318 0 O-C-N 120.866 -1.146 . . . . 0.0 109.119 -178.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -69.13 -39.83 78.62 Favored 'General case' 0 N--CA 1.493 1.682 0 C-N-CA 118.975 -1.09 . . . . 0.0 109.175 178.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.29 -38.95 88.96 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.538 -0.726 . . . . 0.0 109.861 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.413 ' N ' ' O ' ' A' ' 5' ' ' ILE . 57.5 tt0 -58.08 -40.43 81.07 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.347 -0.846 . . . . 0.0 109.15 -179.314 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 35.0 tp10 -60.84 -41.84 96.6 Favored 'General case' 0 N--CA 1.485 1.289 0 O-C-N 120.891 -1.131 . . . . 0.0 108.226 179.376 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 20.9 tp10 -61.61 -39.89 92.87 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.242 -0.912 . . . . 0.0 109.033 178.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.563 ' O ' ' N ' ' A' ' 16' ' ' HIS . 13.9 t60 -61.06 -47.27 87.13 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.48 -0.763 . . . . 0.0 109.886 179.482 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 78.0 tt0 -60.45 -41.97 95.18 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.13 -0.981 . . . . 0.0 110.752 -179.187 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -62.49 -30.24 71.12 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.463 -0.773 . . . . 0.0 112.833 -177.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -140.98 -3.64 1.23 Allowed 'General case' 0 N--CA 1.503 2.192 0 O-C-N 120.769 -1.207 . . . . 0.0 112.06 -177.424 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.563 ' N ' ' O ' ' A' ' 12' ' ' HIS . 84.3 m-70 54.2 41.73 31.86 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 107.314 -1.365 . . . . 0.0 107.314 -177.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 91.2 p -62.16 155.38 24.59 Favored 'General case' 0 N--CA 1.488 1.44 0 CA-C-O 121.333 0.587 . . . . 0.0 110.23 -179.123 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 -74.72 162.62 28.54 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.276 -0.89 . . . . 0.0 109.617 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 34.6 p-90 -58.8 -30.44 67.61 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.943 -1.098 . . . . 0.0 110.329 -179.5 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 56.1 mtp180 -62.91 -39.62 95.1 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.11 -0.993 . . . . 0.0 109.765 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.67 -49.16 56.25 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.162 -0.961 . . . . 0.0 109.119 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 78.0 mtm -60.77 -39.95 90.73 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.118 -0.989 . . . . 0.0 109.721 179.524 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.49 -48.56 80.4 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 120.936 -1.103 . . . . 0.0 109.1 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 13.8 m -70.4 -33.92 71.94 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.453 -0.78 . . . . 0.0 110.363 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 52.9 t0 -63.03 -43.4 98.8 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.35 -0.844 . . . . 0.0 110.808 -178.577 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -108.16 -0.25 21.14 Favored 'General case' 0 N--CA 1.503 2.202 0 O-C-N 121.179 -0.951 . . . . 0.0 110.419 -179.551 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 12.4 m120 59.02 49.86 8.97 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.349 -0.845 . . . . 0.0 109.593 179.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 63.7 mt -115.63 152.23 47.02 Favored Pre-proline 0 N--CA 1.504 2.247 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 14.8 Cg_endo -58.49 160.84 15.83 Favored 'Trans proline' 0 C--N 1.316 -1.158 0 C-N-CA 121.163 1.242 . . . . 0.0 110.666 179.028 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_endo -56.1 -33.35 89.76 Favored 'Trans proline' 0 C--N 1.304 -1.798 0 C-N-CA 122.514 2.143 . . . . 0.0 111.864 -179.226 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 68.1 t -56.91 -48.69 81.02 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.155 -0.966 . . . . 0.0 110.099 -179.118 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 50.5 t -66.49 -47.95 82.14 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.783 0 C-N-CA 118.379 -1.328 . . . . 0.0 109.306 -178.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.52 -45.18 80.34 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.191 -0.943 . . . . 0.0 109.906 179.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.2 mtpm? -62.11 -36.57 82.15 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.998 -1.064 . . . . 0.0 110.371 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.7 tm-20 -60.83 -39.05 87.61 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.846 -1.159 . . . . 0.0 109.753 -179.097 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 60.0 mt -60.06 -40.23 82.66 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.418 0 O-C-N 121.034 -1.041 . . . . 0.0 109.13 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 75.6 t -62.76 -39.59 85.43 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.37 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 179.157 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.31 -32.9 71.66 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.386 -0.821 . . . . 0.0 109.295 179.19 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.8 m -76.7 -30.83 56.86 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.041 -1.037 . . . . 0.0 109.509 -179.628 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 36.8 t -80.36 103.06 9.98 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.155 -0.966 . . . . 0.0 108.835 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -60.4 -29.51 69.01 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.293 -0.879 . . . . 0.0 109.969 -179.31 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -70.05 -40.08 75.32 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.262 -0.899 . . . . 0.0 110.606 -178.476 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 82.3 m -87.7 -16.41 34.38 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.988 -1.07 . . . . 0.0 109.9 179.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 . . . . . 0 N--CA 1.491 1.599 0 O-C-N 121.392 -0.818 . . . . 0.0 109.265 -178.944 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 . . . . . 0 N--CA 1.492 1.642 0 CA-C-O 121.454 0.645 . . . . 0.0 109.619 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 24.4 mt -72.95 -40.11 65.64 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.27 -0.894 . . . . 0.0 111.373 -178.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -63.69 -45.7 88.86 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.906 -1.122 . . . . 0.0 110.959 -178.43 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.24 -47.59 51.46 Favored Glycine 0 N--CA 1.493 2.498 0 N-CA-C 109.54 -1.424 . . . . 0.0 109.54 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . 0.408 ' O ' ' N ' ' B' ' 9' ' ' GLN . 90.3 mt -59.72 -38.5 76.19 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.554 0 O-C-N 121.376 -1.073 . . . . 0.0 110.266 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 48.5 t0 -54.4 -49.77 69.15 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 120.847 -1.158 . . . . 0.0 108.896 -178.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -68.54 -40.27 80.76 Favored 'General case' 0 N--CA 1.49 1.542 0 C-N-CA 119.254 -0.978 . . . . 0.0 109.298 178.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.14 -38.13 87.39 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.426 -0.796 . . . . 0.0 109.672 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . 0.408 ' N ' ' O ' ' B' ' 5' ' ' ILE . 57.7 tt0 -58.61 -40.04 82.15 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.102 -0.999 . . . . 0.0 109.198 -179.263 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 34.0 tp10 -60.95 -42.7 98.74 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 120.865 -1.147 . . . . 0.0 108.599 178.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 20.1 tp10 -60.75 -40.35 92.1 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.346 -0.847 . . . . 0.0 108.973 178.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' HIS . . . . . 0.569 ' O ' ' N ' ' B' ' 16' ' ' HIS . 13.2 t60 -60.59 -47.77 84.75 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.215 -0.928 . . . . 0.0 109.989 179.69 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 77.2 tt0 -60.09 -42.41 94.59 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.19 -0.943 . . . . 0.0 110.682 -179.225 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 56.0 mtpt -61.97 -30.7 71.1 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 121.354 -0.841 . . . . 0.0 112.765 -178.222 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -140.77 -4.15 1.24 Allowed 'General case' 0 N--CA 1.503 2.192 0 O-C-N 120.466 -1.396 . . . . 0.0 111.85 -177.172 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.569 ' N ' ' O ' ' B' ' 12' ' ' HIS . 85.1 m-70 54.8 42.01 31.48 Favored 'General case' 0 N--CA 1.496 1.874 0 N-CA-C 107.426 -1.324 . . . . 0.0 107.426 -177.562 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 99.0 p -62.38 155.97 23.76 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.489 -0.757 . . . . 0.0 110.0 -178.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -75.15 162.63 28.33 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.106 -0.996 . . . . 0.0 109.612 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 34.5 p-90 -58.48 -30.7 67.19 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.024 -1.048 . . . . 0.0 110.083 -179.508 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 56.3 mtp180 -62.59 -40.28 96.4 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.954 -1.091 . . . . 0.0 109.743 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.38 -48.13 62.11 Favored 'General case' 0 C--N 1.298 -1.638 0 C-N-CA 119.502 -0.879 . . . . 0.0 109.286 -179.672 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 78.0 mtm -61.97 -39.94 93.86 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.283 -0.886 . . . . 0.0 109.909 179.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.38 -48.59 80.13 Favored 'General case' 0 C--N 1.3 -1.582 0 C-N-CA 119.345 -0.942 . . . . 0.0 108.696 179.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 14.4 m -70.57 -33.52 71.19 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.379 -0.826 . . . . 0.0 110.438 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 51.1 t0 -63.21 -43.94 96.72 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.961 -1.087 . . . . 0.0 110.679 -178.585 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -107.63 0.58 22.61 Favored 'General case' 0 N--CA 1.502 2.166 0 O-C-N 121.235 -0.915 . . . . 0.0 110.373 -179.539 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 13.6 m120 58.33 49.81 10.47 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.372 -0.83 . . . . 0.0 109.619 179.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 66.3 mt -115.0 151.97 46.09 Favored Pre-proline 0 N--CA 1.503 2.217 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 179.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -58.71 160.54 17.34 Favored 'Trans proline' 0 N--CA 1.489 1.227 0 C-N-CA 121.43 1.42 . . . . 0.0 110.515 179.085 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -55.9 -32.67 86.23 Favored 'Trans proline' 0 C--N 1.307 -1.653 0 C-N-CA 122.538 2.159 . . . . 0.0 112.038 -179.252 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 72.7 t -57.89 -48.81 83.03 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.643 0 O-C-N 121.257 -0.902 . . . . 0.0 110.184 -179.032 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 56.4 t -66.43 -47.49 83.71 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.887 0 C-N-CA 118.155 -1.418 . . . . 0.0 109.328 -178.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.55 -44.81 81.36 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.166 -0.958 . . . . 0.0 110.048 179.476 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 10.3 mtpm? -62.64 -36.9 84.3 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.851 -1.156 . . . . 0.0 110.243 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.2 tm-20 -60.12 -39.54 86.62 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.998 -1.064 . . . . 0.0 110.096 -179.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 59.8 mt -59.99 -40.41 83.0 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 120.991 -1.068 . . . . 0.0 108.815 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 76.0 t -62.03 -40.28 86.79 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.501 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 179.069 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . 0.522 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -59.61 -33.27 71.26 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.574 -0.704 . . . . 0.0 109.561 179.438 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 61.5 m -76.43 -30.67 57.48 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.378 -0.826 . . . . 0.0 109.927 -179.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 38.1 t -80.6 102.95 10.12 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.181 -0.949 . . . . 0.0 109.096 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -60.15 -29.69 68.82 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.196 -0.94 . . . . 0.0 110.154 -179.666 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -70.12 -39.87 75.19 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.29 -0.881 . . . . 0.0 110.453 -178.297 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 84.5 m -87.82 -16.06 35.13 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 120.868 -1.145 . . . . 0.0 109.851 179.496 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . 0.522 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 31.3 tt0 . . . . . 0 N--CA 1.493 1.698 0 O-C-N 121.178 -0.951 . . . . 0.0 109.1 -178.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 76.6 m-85 . . . . . 0 N--CA 1.492 1.64 0 CA-C-O 121.268 0.556 . . . . 0.0 109.721 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 29.3 mt -70.98 -43.58 67.75 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.307 -0.87 . . . . 0.0 110.644 -178.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -62.94 -44.9 94.81 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.219 -0.926 . . . . 0.0 110.19 -179.017 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.3 -49.79 54.79 Favored Glycine 0 N--CA 1.495 2.599 0 N-CA-C 109.951 -1.26 . . . . 0.0 109.951 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.4 ' O ' ' N ' ' A' ' 9' ' ' GLN . 93.6 mt -59.46 -39.11 78.34 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.608 0 O-C-N 121.275 -1.132 . . . . 0.0 110.108 -179.79 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -53.82 -42.11 68.06 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 120.659 -1.276 . . . . 0.0 108.866 -179.434 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 9.6 mtmp? -69.99 -45.34 67.52 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.14 -0.975 . . . . 0.0 109.494 178.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.96 -36.62 82.6 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.529 -0.732 . . . . 0.0 109.613 179.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.4 ' N ' ' O ' ' A' ' 5' ' ' ILE . 1.0 OUTLIER -56.47 -39.96 74.08 Favored 'General case' 0 C--N 1.302 -1.466 0 C-N-CA 119.228 -0.989 . . . . 0.0 108.899 -179.498 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -62.64 -43.21 99.39 Favored 'General case' 0 C--N 1.304 -1.411 0 C-N-CA 118.941 -1.104 . . . . 0.0 109.27 179.53 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 23.6 tp10 -60.98 -40.3 92.93 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.042 -1.036 . . . . 0.0 108.638 179.362 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.508 ' O ' ' N ' ' A' ' 16' ' ' HIS . 13.2 t60 -61.47 -47.0 87.68 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.21 -0.931 . . . . 0.0 110.301 179.217 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.4 tp10 -59.58 -41.03 89.29 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.0 -1.063 . . . . 0.0 110.283 -178.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt -63.37 -31.82 73.09 Favored 'General case' 0 N--CA 1.497 1.914 0 N-CA-C 113.112 0.782 . . . . 0.0 113.112 -178.564 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -140.11 -2.13 1.5 Allowed 'General case' 0 N--CA 1.51 2.549 0 O-C-N 120.527 -1.358 . . . . 0.0 112.237 -177.171 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.508 ' N ' ' O ' ' A' ' 12' ' ' HIS . 88.3 m-70 53.22 45.12 29.22 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.445 -1.409 . . . . 0.0 107.487 -177.704 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 90.1 p -67.01 153.17 44.32 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.482 -0.761 . . . . 0.0 109.879 -178.615 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -71.78 160.34 32.77 Favored 'General case' 0 C--N 1.304 -1.385 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 179.593 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 41.6 p-90 -57.53 -29.5 64.41 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 121.267 -0.896 . . . . 0.0 110.531 -179.254 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -62.05 -40.94 97.48 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.163 -0.961 . . . . 0.0 109.907 -179.447 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.04 -49.31 62.21 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.471 -0.768 . . . . 0.0 110.0 -179.359 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 78.7 mtm -61.61 -39.94 93.05 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 120.937 -1.102 . . . . 0.0 109.473 179.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.481 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -54.42 -47.86 72.32 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.13 -0.981 . . . . 0.0 108.722 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 8.3 t -70.24 -36.97 74.86 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.359 -0.838 . . . . 0.0 110.391 179.449 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 61.6 t0 -60.72 -41.12 94.66 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.05 -1.031 . . . . 0.0 110.755 -178.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -110.62 0.5 17.58 Favored 'General case' 0 N--CA 1.503 2.18 0 O-C-N 121.33 -0.856 . . . . 0.0 109.611 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.481 ' N ' ' O ' ' A' ' 23' ' ' ALA . 65.4 t30 57.13 48.3 15.64 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.407 -0.808 . . . . 0.0 110.008 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 58.4 mt -114.76 152.88 46.78 Favored Pre-proline 0 N--CA 1.501 2.09 0 O-C-N 121.301 -0.874 . . . . 0.0 109.035 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -60.85 148.77 91.22 Favored 'Trans proline' 0 C--N 1.313 -1.307 0 C-N-CA 121.747 1.631 . . . . 0.0 111.422 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.459 ' O ' ' N ' ' A' ' 34' ' ' LYS . 38.8 Cg_exo -44.71 -33.59 7.21 Favored 'Trans proline' 0 C--N 1.311 -1.435 0 C-N-CA 121.7 1.6 . . . . 0.0 111.338 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 16.2 t -52.47 -52.2 27.85 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.675 0 O-C-N 121.291 -0.881 . . . . 0.0 110.579 -178.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 58.1 t -67.64 -48.07 77.76 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.713 0 C-N-CA 118.6 -1.24 . . . . 0.0 109.339 -178.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.51 -42.25 95.91 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.281 -0.887 . . . . 0.0 110.037 179.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.459 ' N ' ' O ' ' A' ' 30' ' ' PRO . 55.9 mtpt -62.78 -35.96 81.55 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.704 -1.248 . . . . 0.0 110.55 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.6 tm-20 -60.49 -38.41 84.22 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 120.961 -1.087 . . . . 0.0 109.792 -179.381 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 34.9 mt -60.3 -40.22 83.2 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.414 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 74.5 t -64.75 -40.15 88.1 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.443 0 O-C-N 121.214 -0.929 . . . . 0.0 109.086 179.336 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.67 -30.58 70.83 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.173 -0.954 . . . . 0.0 108.788 179.027 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 55.1 m -78.43 -30.68 47.74 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.502 -0.749 . . . . 0.0 109.949 179.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 30.4 t -81.11 104.04 11.33 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 120.963 -1.086 . . . . 0.0 109.198 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -60.11 -30.54 69.34 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.693 -0.629 . . . . 0.0 110.899 -179.236 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 63.6 mttm -71.37 -40.06 70.86 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.229 -0.919 . . . . 0.0 110.698 -178.572 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 68.7 m -84.03 -23.02 31.09 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.96 -1.088 . . . . 0.0 109.615 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 44.6 tt0 . . . . . 0 N--CA 1.493 1.71 0 O-C-N 121.281 -0.887 . . . . 0.0 109.493 179.921 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 . . . . . 0 N--CA 1.491 1.593 0 CA-C-O 121.198 0.523 . . . . 0.0 109.776 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 30.5 mt -71.44 -43.83 65.95 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.104 -0.998 . . . . 0.0 110.447 -179.174 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -62.59 -44.08 97.21 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.251 -0.906 . . . . 0.0 110.556 -178.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.35 -48.42 51.94 Favored Glycine 0 N--CA 1.496 2.642 0 N-CA-C 109.665 -1.374 . . . . 0.0 109.665 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 95.3 mt -59.84 -38.44 76.22 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.486 0 O-C-N 121.187 -1.184 . . . . 0.0 110.233 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -55.08 -42.24 72.57 Favored 'General case' 0 C--N 1.3 -1.582 0 C-N-CA 118.756 -1.177 . . . . 0.0 109.094 -179.022 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 9.4 mtmp? -69.73 -44.98 69.19 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.27 -0.894 . . . . 0.0 109.484 178.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.55 -35.41 78.99 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.669 -0.645 . . . . 0.0 109.551 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -57.9 -39.87 78.94 Favored 'General case' 0 C--N 1.303 -1.416 0 C-N-CA 119.37 -0.932 . . . . 0.0 108.964 -179.491 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -62.43 -42.01 99.13 Favored 'General case' 0 C--N 1.305 -1.338 0 C-N-CA 118.965 -1.094 . . . . 0.0 109.106 179.29 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 28.1 tp10 -61.69 -41.11 97.14 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.139 -0.976 . . . . 0.0 108.69 179.205 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 12' ' ' HIS . . . . . 0.528 ' O ' ' N ' ' B' ' 16' ' ' HIS . 13.7 t60 -60.79 -46.64 89.71 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.251 -0.906 . . . . 0.0 110.137 179.369 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 50.4 tp10 -59.55 -41.06 89.24 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.089 -1.007 . . . . 0.0 110.136 -179.09 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -63.58 -31.97 73.3 Favored 'General case' 0 N--CA 1.493 1.694 0 N-CA-C 113.021 0.748 . . . . 0.0 113.021 -178.388 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -139.92 -2.1 1.54 Allowed 'General case' 0 N--CA 1.509 2.492 0 O-C-N 120.452 -1.405 . . . . 0.0 112.255 -177.288 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.528 ' N ' ' O ' ' B' ' 12' ' ' HIS . 85.3 m-70 53.9 42.36 31.73 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.468 -1.395 . . . . 0.0 107.395 -177.83 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 93.3 p -64.75 153.28 40.29 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.548 -0.72 . . . . 0.0 110.045 -178.675 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -71.63 160.11 33.23 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.499 -0.75 . . . . 0.0 109.043 179.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 41.7 p-90 -57.64 -29.51 64.64 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.377 -0.827 . . . . 0.0 110.395 -179.277 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -62.06 -41.52 98.24 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.172 -0.955 . . . . 0.0 109.751 -179.629 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.56 -50.05 60.37 Favored 'General case' 0 C--N 1.298 -1.647 0 O-C-N 121.454 -0.779 . . . . 0.0 109.814 -179.202 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 78.8 mtm -60.95 -39.88 91.18 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.084 -1.01 . . . . 0.0 109.508 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . 0.474 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -54.83 -48.45 72.83 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.058 -1.026 . . . . 0.0 108.775 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 8.1 t -70.23 -35.84 74.12 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.368 -0.833 . . . . 0.0 110.398 179.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -60.47 -42.51 96.4 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.243 -0.911 . . . . 0.0 110.375 -179.166 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -109.94 1.65 19.24 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.507 -0.746 . . . . 0.0 109.818 -179.64 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . 0.474 ' N ' ' O ' ' B' ' 23' ' ' ALA . 66.5 t30 56.87 46.39 19.8 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.431 -0.793 . . . . 0.0 110.179 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 61.4 mt -112.74 153.1 45.18 Favored Pre-proline 0 N--CA 1.503 2.177 0 O-C-N 121.176 -0.953 . . . . 0.0 109.189 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -61.07 149.71 87.79 Favored 'Trans proline' 0 N--CA 1.49 1.309 0 C-N-CA 121.594 1.529 . . . . 0.0 111.504 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 30' ' ' PRO . . . . . 0.488 ' O ' ' N ' ' B' ' 34' ' ' LYS . 37.4 Cg_exo -44.98 -34.45 8.91 Favored 'Trans proline' 0 C--N 1.314 -1.246 0 C-N-CA 121.686 1.591 . . . . 0.0 111.628 179.615 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 14.1 t -51.84 -52.09 24.49 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.389 -0.819 . . . . 0.0 110.681 -178.614 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 59.9 t -67.49 -48.68 76.26 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.733 0 C-N-CA 118.861 -1.136 . . . . 0.0 109.461 -178.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.58 -42.4 95.65 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.336 -0.853 . . . . 0.0 110.168 179.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.488 ' N ' ' O ' ' B' ' 30' ' ' PRO . 57.6 mtpt -62.95 -34.28 77.15 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 120.863 -1.148 . . . . 0.0 110.765 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.3 tm-20 -61.14 -39.81 91.47 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.043 -1.035 . . . . 0.0 109.569 -179.514 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 32.5 mt -59.72 -40.55 82.72 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.393 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 -179.318 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 69.6 t -64.53 -40.15 88.07 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.559 0 O-C-N 121.342 -0.849 . . . . 0.0 108.885 179.342 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . 0.467 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -61.99 -30.76 71.16 Favored 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 179.013 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 66.6 m -78.25 -30.76 48.82 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.543 -0.723 . . . . 0.0 109.513 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 36.6 t -80.88 105.41 12.09 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.14 -0.975 . . . . 0.0 109.219 -179.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 -60.52 -31.46 70.53 Favored 'General case' 0 N--CA 1.492 1.664 0 CA-C-O 121.213 0.53 . . . . 0.0 111.007 -179.424 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 63.9 mttm -70.76 -40.26 72.75 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.958 -1.089 . . . . 0.0 111.048 -178.644 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 69.3 m -84.24 -22.85 30.68 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.068 -1.02 . . . . 0.0 109.668 -179.502 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . 0.467 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 6.7 tt0 . . . . . 0 N--CA 1.492 1.631 0 O-C-N 121.301 -0.874 . . . . 0.0 109.086 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 . . . . . 0 N--CA 1.489 1.504 0 CA-C-O 121.444 0.64 . . . . 0.0 109.522 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 51.5 mt -71.13 -41.35 70.62 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.249 -0.907 . . . . 0.0 111.003 -178.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 48.3 t0 -62.47 -48.1 81.11 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.676 -1.265 . . . . 0.0 111.442 -178.54 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.38 -49.2 53.41 Favored Glycine 0 N--CA 1.49 2.251 0 N-CA-C 108.86 -1.696 . . . . 0.0 108.86 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.451 ' O ' ' N ' ' A' ' 9' ' ' GLN . 75.7 mt -56.12 -39.17 57.24 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.538 0 O-C-N 121.452 -1.028 . . . . 0.0 110.332 179.66 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 85.9 m-20 -55.15 -45.81 75.67 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.596 -1.315 . . . . 0.0 109.747 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 46.5 mtpt -70.66 -44.59 66.76 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.44 -0.788 . . . . 0.0 109.165 179.167 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.37 -34.31 78.01 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 -179.666 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' A' ' 5' ' ' ILE . 60.0 tt0 -58.23 -41.27 83.76 Favored 'General case' 0 C--N 1.305 -1.357 0 C-N-CA 119.787 -0.765 . . . . 0.0 108.946 -179.394 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -62.19 -39.7 93.57 Favored 'General case' 0 C--N 1.301 -1.518 0 C-N-CA 119.019 -1.072 . . . . 0.0 108.301 179.49 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.448 ' CD ' ' HG ' ' A' ' 17' ' ' SER . 9.7 tm-20 -61.26 -40.79 95.4 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 179.504 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.54 ' O ' ' N ' ' A' ' 16' ' ' HIS . 16.3 t60 -63.72 -43.69 95.79 Favored 'General case' 0 C--N 1.302 -1.46 0 C-N-CA 119.26 -0.976 . . . . 0.0 110.136 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 -62.21 -42.54 99.39 Favored 'General case' 0 C--N 1.296 -1.724 0 O-C-N 121.242 -0.912 . . . . 0.0 110.514 -179.038 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 56.8 mtpt -61.59 -34.35 75.47 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.553 -0.717 . . . . 0.0 112.302 -178.446 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 -136.27 -5.21 2.08 Favored 'General case' 0 N--CA 1.507 2.381 0 O-C-N 120.953 -1.092 . . . . 0.0 112.68 -176.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.54 ' N ' ' O ' ' A' ' 12' ' ' HIS . 91.1 m-70 54.75 45.53 26.52 Favored 'General case' 0 N--CA 1.493 1.712 0 N-CA-C 106.881 -1.525 . . . . 0.0 106.881 -176.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.448 ' HG ' ' CD ' ' A' ' 11' ' ' GLU . 91.6 p -67.52 154.28 41.78 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.42 -0.8 . . . . 0.0 109.796 -179.186 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 30.7 m120 -71.81 159.08 34.93 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.409 -0.807 . . . . 0.0 109.279 179.398 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 48.0 p-90 -57.76 -28.99 64.44 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.033 -1.042 . . . . 0.0 110.168 -179.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -62.2 -41.3 98.22 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 120.739 -1.225 . . . . 0.0 109.365 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.08 -49.69 64.22 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.208 -0.933 . . . . 0.0 109.619 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 79.4 mtm -61.2 -39.57 90.7 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.542 -0.724 . . . . 0.0 109.835 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.541 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -59.36 -46.57 88.28 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 179.812 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.1 t -69.2 -37.89 78.34 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.23 -0.919 . . . . 0.0 110.06 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 56.8 t0 -60.04 -39.92 87.59 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.297 -0.877 . . . . 0.0 110.388 -178.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -111.26 -0.1 16.55 Favored 'General case' 0 N--CA 1.502 2.157 0 O-C-N 121.302 -0.874 . . . . 0.0 109.645 179.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.541 ' N ' ' O ' ' A' ' 23' ' ' ALA . 52.0 t30 55.58 50.77 13.83 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.484 -0.76 . . . . 0.0 110.396 179.257 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 67.1 mt -117.01 150.11 45.37 Favored Pre-proline 0 N--CA 1.508 2.445 0 O-C-N 121.13 -0.981 . . . . 0.0 110.514 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -44.95 156.8 0.23 Allowed 'Trans proline' 0 N--CA 1.486 1.053 0 C-N-CA 121.439 1.426 . . . . 0.0 110.87 178.167 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.413 ' O ' ' N ' ' A' ' 34' ' ' LYS . 9.9 Cg_endo -56.91 -31.42 89.3 Favored 'Trans proline' 0 C--N 1.306 -1.675 0 C-N-CA 121.658 1.572 . . . . 0.0 111.349 179.182 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 61.3 t -55.36 -48.47 76.81 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.555 -0.715 . . . . 0.0 110.562 -178.395 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 69.2 t -66.89 -50.46 64.72 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.879 0 O-C-N 120.871 -1.143 . . . . 0.0 109.921 -179.156 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.82 -40.41 91.81 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 121.117 -0.989 . . . . 0.0 109.587 179.672 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' A' ' 30' ' ' PRO . 13.8 mmmt -62.1 -40.45 95.89 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.366 -0.834 . . . . 0.0 109.494 179.504 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.7 tm-20 -59.65 -40.08 86.5 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.185 -0.947 . . . . 0.0 110.65 -178.499 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 21.7 mt -59.82 -43.78 92.62 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 O-C-N 120.949 -1.095 . . . . 0.0 108.487 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 75.4 t -64.07 -39.95 87.29 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.886 0 C-N-CA 119.312 -0.955 . . . . 0.0 109.004 179.293 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.52 -34.75 73.02 Favored 'General case' 0 C--N 1.297 -1.708 0 CA-C-O 121.512 0.672 . . . . 0.0 110.345 -179.446 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.7 m -78.53 -23.92 45.97 Favored 'General case' 0 C--N 1.295 -1.781 0 O-C-N 121.336 -0.853 . . . . 0.0 110.332 -178.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 43.0 t -80.81 100.94 9.06 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.043 -1.036 . . . . 0.0 109.236 -179.551 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 -60.07 -30.2 69.06 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.383 -0.823 . . . . 0.0 110.416 -179.216 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 64.3 mttm -69.07 -30.01 68.25 Favored 'General case' 0 C--N 1.297 -1.684 0 O-C-N 120.845 -1.159 . . . . 0.0 110.724 -178.37 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 25.7 m -91.41 -59.86 2.03 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.073 -1.017 . . . . 0.0 112.656 -178.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.428 ' NE2' ' OE1' ' B' ' 44' ' ' GLN . 14.3 tt0 . . . . . 0 N--CA 1.503 2.199 0 O-C-N 120.757 -1.215 . . . . 0.0 112.893 -176.467 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 . . . . . 0 N--CA 1.489 1.502 0 CA-C-O 121.653 0.74 . . . . 0.0 109.364 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 48.2 mt -70.28 -38.72 75.11 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.646 -0.659 . . . . 0.0 111.138 -178.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -64.24 -47.46 79.57 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.011 -1.056 . . . . 0.0 111.295 -178.204 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.28 -46.91 55.25 Favored Glycine 0 N--CA 1.491 2.331 0 N-CA-C 109.307 -1.517 . . . . 0.0 109.307 -179.56 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . 0.528 ' O ' ' N ' ' B' ' 9' ' ' GLN . 68.8 mt -58.14 -39.88 74.9 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.574 -0.957 . . . . 0.0 109.778 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -55.05 -46.08 75.32 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.606 -1.309 . . . . 0.0 109.448 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 44.1 mtpt -69.18 -43.5 74.1 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.068 -1.02 . . . . 0.0 109.074 178.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.69 -34.06 77.01 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.691 -0.631 . . . . 0.0 109.546 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . 0.528 ' N ' ' O ' ' B' ' 5' ' ' ILE . 58.5 tt0 -57.86 -42.06 83.71 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.347 -0.846 . . . . 0.0 109.155 -179.599 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -61.36 -41.92 97.85 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 121.215 -0.928 . . . . 0.0 108.758 179.167 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 10.1 tm-20 -60.02 -39.92 87.51 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.29 -0.881 . . . . 0.0 109.144 179.215 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 12' ' ' HIS . . . . . 0.56 ' O ' ' N ' ' B' ' 16' ' ' HIS . 15.7 t60 -64.43 -43.69 93.53 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.047 -1.033 . . . . 0.0 109.95 179.799 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 72.6 tt0 -62.64 -42.39 99.57 Favored 'General case' 0 C--N 1.298 -1.652 0 O-C-N 121.241 -0.912 . . . . 0.0 110.794 -179.055 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 57.3 mtpt -61.98 -34.9 76.99 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.616 -0.678 . . . . 0.0 112.2 -178.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -134.97 -4.19 2.46 Favored 'General case' 0 N--CA 1.509 2.523 0 O-C-N 120.735 -1.228 . . . . 0.0 112.734 -177.014 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.56 ' N ' ' O ' ' B' ' 12' ' ' HIS . 89.8 m-70 54.17 43.84 30.04 Favored 'General case' 0 N--CA 1.492 1.643 0 N-CA-C 107.275 -1.38 . . . . 0.0 107.275 -177.102 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 87.5 p -65.52 156.63 31.94 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.39 -0.819 . . . . 0.0 110.536 -178.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 29.7 m120 -73.78 159.28 33.16 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.293 -0.879 . . . . 0.0 109.515 179.23 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 44.8 p-90 -58.06 -28.24 64.35 Favored 'General case' 0 C--N 1.297 -1.676 0 O-C-N 121.114 -0.992 . . . . 0.0 110.007 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -63.96 -39.84 95.05 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.05 -1.031 . . . . 0.0 109.513 179.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.54 -49.82 50.8 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.359 -0.838 . . . . 0.0 109.102 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 80.1 mtm -60.32 -40.14 89.55 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.39 -0.819 . . . . 0.0 109.663 179.634 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . 0.537 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -58.83 -46.96 86.45 Favored 'General case' 0 C--N 1.304 -1.397 0 C-N-CA 119.0 -1.08 . . . . 0.0 108.767 -179.824 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 26.9 t -69.02 -37.39 78.61 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.095 -1.003 . . . . 0.0 110.103 179.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 59.5 t0 -60.2 -40.33 89.68 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.139 -0.976 . . . . 0.0 110.494 -179.509 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -110.04 -2.89 16.79 Favored 'General case' 0 N--CA 1.505 2.304 0 O-C-N 121.039 -1.038 . . . . 0.0 109.988 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . 0.537 ' N ' ' O ' ' B' ' 23' ' ' ALA . 43.4 t30 57.39 50.47 11.33 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.787 -0.571 . . . . 0.0 110.309 179.226 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 75.5 mt -116.77 151.25 47.04 Favored Pre-proline 0 N--CA 1.501 2.083 0 O-C-N 121.335 -0.853 . . . . 0.0 110.16 -179.245 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -46.01 156.78 0.44 Allowed 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 121.742 1.628 . . . . 0.0 110.674 178.056 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 30' ' ' PRO . . . . . 0.423 ' O ' ' N ' ' B' ' 34' ' ' LYS . 11.4 Cg_endo -57.74 -29.8 86.98 Favored 'Trans proline' 0 C--N 1.305 -1.717 0 C-N-CA 121.652 1.568 . . . . 0.0 110.905 179.174 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 53.5 t -56.82 -48.86 80.48 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.508 0 O-C-N 121.655 -0.653 . . . . 0.0 110.145 -178.307 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 99.4 t -66.22 -50.13 70.77 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.943 0 C-N-CA 118.584 -1.246 . . . . 0.0 109.452 -178.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.17 -42.04 94.06 Favored 'General case' 0 C--N 1.299 -1.63 0 O-C-N 121.583 -0.698 . . . . 0.0 109.736 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' B' ' 30' ' ' PRO . 13.7 mmmt -62.06 -38.93 90.62 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.904 -1.122 . . . . 0.0 110.066 179.387 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 14.0 tm-20 -61.02 -40.08 92.22 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.129 -0.982 . . . . 0.0 110.618 -178.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 43.3 mt -60.29 -41.11 85.89 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.771 0 O-C-N 120.727 -1.233 . . . . 0.0 108.46 -179.665 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 65.3 t -66.48 -39.29 83.62 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.686 0 O-C-N 121.185 -0.947 . . . . 0.0 108.949 179.112 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.75 -33.32 72.76 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.549 -0.719 . . . . 0.0 110.556 -179.376 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 22.0 m -79.7 -23.29 42.5 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.308 -0.87 . . . . 0.0 109.866 -178.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 48.4 t -80.18 100.15 8.14 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.084 -1.01 . . . . 0.0 108.96 179.482 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -60.31 -29.95 69.18 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 121.528 -0.732 . . . . 0.0 110.117 -179.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 63.0 mttm -69.38 -30.9 68.99 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.788 -1.195 . . . . 0.0 111.297 -178.019 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 22.0 m -90.74 -59.32 2.21 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.38 -0.825 . . . . 0.0 112.569 -178.586 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . 0.428 ' OE1' ' NE2' ' A' ' 44' ' ' GLN . 45.9 tt0 . . . . . 0 N--CA 1.503 2.194 0 O-C-N 120.487 -1.383 . . . . 0.0 112.731 -176.753 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 46.4 m-85 . . . . . 0 N--CA 1.49 1.552 0 CA-C-O 121.566 0.698 . . . . 0.0 109.435 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 19.0 mt -71.24 -19.81 62.32 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.604 -0.685 . . . . 0.0 111.548 -178.654 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 0.547 ' OD1' ' N ' ' A' ' 3' ' ' ASP . 13.4 p-10 -67.65 -65.03 0.74 Allowed 'General case' 0 C--N 1.295 -1.804 0 O-C-N 121.045 -1.034 . . . . 0.0 111.309 -178.522 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.442 ' H ' ' CG ' ' A' ' 3' ' ' ASP . . . -61.05 -40.36 98.4 Favored Glycine 0 N--CA 1.497 2.764 0 N-CA-C 110.144 -1.183 . . . . 0.0 110.144 -179.24 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.495 ' O ' ' N ' ' A' ' 9' ' ' GLN . 96.6 mt -59.75 -40.24 81.95 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.536 0 O-C-N 121.531 -0.982 . . . . 0.0 109.932 -179.464 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 59.4 t0 -54.97 -44.83 74.77 Favored 'General case' 0 N--CA 1.485 1.294 0 O-C-N 120.817 -1.177 . . . . 0.0 108.163 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 60.1 tttp -69.17 -44.64 71.8 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.284 -0.885 . . . . 0.0 109.141 178.674 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.64 -34.15 77.61 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.236 -0.915 . . . . 0.0 109.496 179.464 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.495 ' N ' ' O ' ' A' ' 5' ' ' ILE . 58.5 tt0 -58.23 -42.04 85.44 Favored 'General case' 0 C--N 1.303 -1.456 0 C-N-CA 119.625 -0.83 . . . . 0.0 109.233 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -59.92 -40.44 88.89 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 119.527 -0.869 . . . . 0.0 109.547 179.609 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -60.68 -41.27 94.79 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 179.626 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.573 ' O ' ' N ' ' A' ' 16' ' ' HIS . 16.0 t60 -61.32 -47.02 87.87 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.363 -0.836 . . . . 0.0 110.026 179.382 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 34.1 tp10 -60.28 -41.27 92.99 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.007 -1.058 . . . . 0.0 110.415 -179.323 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.1 mtpp -61.23 -37.03 81.6 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.162 -0.961 . . . . 0.0 112.655 -178.652 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -135.13 -3.96 2.43 Favored 'General case' 0 N--CA 1.507 2.384 0 O-C-N 120.989 -1.07 . . . . 0.0 112.662 -176.62 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.573 ' N ' ' O ' ' A' ' 12' ' ' HIS . 89.2 m-70 55.65 49.92 15.44 Favored 'General case' 0 N--CA 1.496 1.848 0 N-CA-C 107.447 -1.316 . . . . 0.0 107.447 -177.639 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 68.0 p -69.57 154.05 42.57 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.664 -0.648 . . . . 0.0 110.786 -178.568 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -73.24 155.39 39.58 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.41 -0.807 . . . . 0.0 108.954 179.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 40.5 p-90 -55.03 -30.34 59.33 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.17 -0.956 . . . . 0.0 110.111 -179.351 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 85.6 mtm180 -62.03 -40.47 95.83 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.072 -1.018 . . . . 0.0 109.931 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.55 -48.69 54.13 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.266 -0.896 . . . . 0.0 109.234 -179.595 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 76.8 mtm -59.94 -39.88 87.05 Favored 'General case' 0 C--N 1.304 -1.409 0 C-N-CA 119.673 -0.811 . . . . 0.0 109.388 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -57.65 -48.44 79.48 Favored 'General case' 0 C--N 1.297 -1.715 0 C-N-CA 119.054 -1.058 . . . . 0.0 109.109 179.591 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 35.1 t -69.91 -35.38 74.56 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.253 -0.904 . . . . 0.0 110.612 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 54.2 m-20 -60.79 -40.03 91.12 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.326 -0.859 . . . . 0.0 110.557 -178.198 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -112.23 -1.63 15.13 Favored 'General case' 0 N--CA 1.502 2.152 0 O-C-N 121.302 -0.874 . . . . 0.0 110.089 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.456 ' N ' ' O ' ' A' ' 23' ' ' ALA . 42.7 t30 59.95 48.72 8.47 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.352 -0.843 . . . . 0.0 109.152 -179.755 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 75.8 mt -111.37 152.29 43.79 Favored Pre-proline 0 N--CA 1.499 1.984 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 179.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -59.96 159.81 24.19 Favored 'Trans proline' 0 C--N 1.312 -1.386 0 C-N-CA 121.242 1.295 . . . . 0.0 111.315 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -55.35 -36.3 93.5 Favored 'Trans proline' 0 C--N 1.307 -1.622 0 C-N-CA 122.418 2.079 . . . . 0.0 110.699 -179.523 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 32.3 t -54.01 -48.58 63.9 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.706 0 C-N-CA 119.749 -0.781 . . . . 0.0 110.377 -179.431 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 58.1 t -69.13 -46.66 77.71 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.968 0 C-N-CA 118.522 -1.271 . . . . 0.0 109.673 -178.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.93 -45.03 83.31 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.358 -0.839 . . . . 0.0 109.851 179.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp -61.96 -34.89 76.97 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.038 -1.039 . . . . 0.0 110.25 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -63.81 -39.04 93.3 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.054 -1.029 . . . . 0.0 110.383 -179.63 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 59.8 mt -59.81 -40.59 83.06 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 O-C-N 120.841 -1.162 . . . . 0.0 108.442 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 90.6 t -64.04 -38.99 83.86 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.631 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 178.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.54 -34.05 73.55 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.545 -0.722 . . . . 0.0 110.264 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.2 m -78.44 -25.25 45.9 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.082 -1.011 . . . . 0.0 109.626 -179.284 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 40.9 t -82.86 101.23 10.84 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.414 -0.804 . . . . 0.0 109.243 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -60.44 -29.76 69.21 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.642 -0.662 . . . . 0.0 110.093 -179.552 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 64.0 mttm -68.96 -39.92 79.21 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 120.848 -1.157 . . . . 0.0 109.968 -178.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 67.6 m -86.16 -20.2 28.96 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.153 -0.967 . . . . 0.0 109.878 179.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 . . . . . 0 C--N 1.3 -1.563 0 O-C-N 121.049 -1.032 . . . . 0.0 109.057 -179.7 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 43.9 m-85 . . . . . 0 N--CA 1.491 1.577 0 CA-C-O 121.314 0.578 . . . . 0.0 109.644 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 19.5 mt -73.09 -17.39 61.42 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.575 -0.703 . . . . 0.0 111.345 -178.222 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . 0.524 ' OD1' ' N ' ' B' ' 3' ' ' ASP . 14.3 p-10 -69.95 -64.95 0.79 Allowed 'General case' 0 C--N 1.3 -1.569 0 O-C-N 120.843 -1.161 . . . . 0.0 110.85 -178.839 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 4' ' ' GLY . . . . . 0.468 ' H ' ' CG ' ' B' ' 3' ' ' ASP . . . -59.99 -41.57 97.96 Favored Glycine 0 N--CA 1.498 2.832 0 N-CA-C 110.314 -1.114 . . . . 0.0 110.314 -179.514 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . 0.517 ' O ' ' N ' ' B' ' 9' ' ' GLN . 95.8 mt -59.64 -40.64 82.75 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 O-C-N 121.392 -1.064 . . . . 0.0 110.016 -179.646 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 62.7 t0 -54.88 -44.14 73.82 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 120.756 -1.215 . . . . 0.0 108.593 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 60.2 tttp -69.65 -45.27 68.8 Favored 'General case' 0 N--CA 1.491 1.607 0 C-N-CA 119.521 -0.872 . . . . 0.0 108.935 178.455 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.71 -33.59 76.33 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.496 -0.753 . . . . 0.0 109.538 179.442 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . 0.517 ' N ' ' O ' ' B' ' 5' ' ' ILE . 58.9 tt0 -58.68 -41.19 85.63 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.25 -0.906 . . . . 0.0 109.026 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -60.83 -41.64 96.15 Favored 'General case' 0 C--N 1.302 -1.491 0 C-N-CA 119.148 -1.021 . . . . 0.0 109.202 179.197 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -59.48 -39.77 84.79 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.125 -0.984 . . . . 0.0 108.396 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 12' ' ' HIS . . . . . 0.561 ' O ' ' N ' ' B' ' 16' ' ' HIS . 17.0 t60 -62.38 -47.47 84.01 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.063 -1.023 . . . . 0.0 110.182 179.282 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 28.3 tp10 -59.94 -41.79 92.58 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.019 -1.051 . . . . 0.0 110.711 -179.141 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 26.3 mtpp -60.49 -36.16 77.64 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.47 -0.769 . . . . 0.0 112.456 -178.571 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -136.22 -3.91 2.17 Favored 'General case' 0 N--CA 1.506 2.367 0 O-C-N 120.936 -1.103 . . . . 0.0 112.528 -176.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.561 ' N ' ' O ' ' B' ' 12' ' ' HIS . 90.4 m-70 56.07 47.77 19.02 Favored 'General case' 0 N--CA 1.498 1.966 0 N-CA-C 107.605 -1.257 . . . . 0.0 107.605 -177.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 78.2 p -66.63 155.15 38.68 Favored 'General case' 0 C--N 1.302 -1.494 0 C-N-CA 119.923 -0.711 . . . . 0.0 110.48 -178.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -74.43 157.56 35.41 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.516 -0.74 . . . . 0.0 109.17 179.306 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 37.1 p-90 -56.38 -30.87 63.24 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.139 -0.976 . . . . 0.0 110.203 -179.618 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 87.6 mtm180 -62.53 -39.6 94.11 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.831 -1.168 . . . . 0.0 109.92 -179.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.01 -49.52 50.62 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.322 -0.861 . . . . 0.0 109.312 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 77.8 mtm -59.32 -40.38 86.09 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.363 -0.836 . . . . 0.0 109.551 -179.7 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . 0.485 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -57.5 -47.57 81.58 Favored 'General case' 0 C--N 1.3 -1.577 0 C-N-CA 118.897 -1.121 . . . . 0.0 109.358 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 47.9 t -70.18 -35.53 74.04 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.592 -0.693 . . . . 0.0 110.797 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -60.71 -41.05 94.44 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.153 -0.967 . . . . 0.0 110.257 -178.51 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -111.62 -1.28 15.8 Favored 'General case' 0 N--CA 1.503 2.202 0 O-C-N 121.546 -0.721 . . . . 0.0 110.277 -179.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . 0.485 ' N ' ' O ' ' B' ' 23' ' ' ALA . 39.7 t30 59.94 46.77 10.69 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.049 -1.032 . . . . 0.0 109.234 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 81.6 mt -109.94 152.44 43.02 Favored Pre-proline 0 N--CA 1.497 1.897 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -60.51 159.91 25.96 Favored 'Trans proline' 0 C--N 1.313 -1.33 0 C-N-CA 121.197 1.264 . . . . 0.0 111.043 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_endo -55.77 -35.65 93.86 Favored 'Trans proline' 0 C--N 1.302 -1.901 0 C-N-CA 122.603 2.202 . . . . 0.0 110.919 -179.359 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 34.1 t -54.86 -48.43 74.09 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.631 0 O-C-N 121.302 -0.874 . . . . 0.0 110.094 -179.574 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 60.0 t -68.87 -46.63 78.89 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.639 0 C-N-CA 118.274 -1.37 . . . . 0.0 109.53 -179.279 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.65 -45.66 82.12 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.165 -0.959 . . . . 0.0 109.758 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 25.8 mtpp -61.71 -34.04 75.09 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.935 -1.103 . . . . 0.0 110.259 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.1 tm-20 -64.03 -39.63 94.52 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.945 -1.097 . . . . 0.0 110.267 -179.445 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 62.6 mt -59.54 -39.77 80.21 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.347 0 O-C-N 120.892 -1.13 . . . . 0.0 108.405 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 90.1 t -64.61 -39.48 85.77 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.565 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 178.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . 0.443 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -59.91 -32.52 70.83 Favored 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.292 179.434 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 14.9 m -79.74 -27.58 40.53 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.033 -1.042 . . . . 0.0 109.581 -179.532 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 42.7 t -81.32 102.7 10.59 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.056 -1.028 . . . . 0.0 109.022 179.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -61.89 -29.09 69.97 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.734 -0.604 . . . . 0.0 110.306 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -68.98 -39.57 79.32 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.816 -1.177 . . . . 0.0 109.904 -178.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 64.0 m -85.73 -22.76 27.63 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.195 -0.94 . . . . 0.0 109.483 179.561 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . 0.443 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 24.1 tt0 . . . . . 0 N--CA 1.49 1.538 0 O-C-N 121.074 -1.016 . . . . 0.0 109.237 -179.689 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 . . . . . 0 N--CA 1.49 1.558 0 CA-C-O 121.313 0.578 . . . . 0.0 109.802 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 16.1 mt -73.37 -41.12 63.79 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.428 -0.795 . . . . 0.0 111.488 -178.434 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -65.33 -42.45 92.9 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 120.562 -1.336 . . . . 0.0 110.638 -178.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.95 -48.6 47.03 Favored Glycine 0 N--CA 1.491 2.334 0 N-CA-C 109.917 -1.273 . . . . 0.0 109.917 -179.487 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.417 ' O ' ' N ' ' A' ' 9' ' ' GLN . 83.8 mt -59.76 -38.45 76.04 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.625 0 O-C-N 121.455 -1.026 . . . . 0.0 110.256 -179.855 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -55.43 -45.17 76.78 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 120.854 -1.154 . . . . 0.0 109.129 -179.215 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -69.54 -43.25 73.36 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.998 -1.064 . . . . 0.0 109.154 178.679 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.06 -37.84 84.74 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.558 -0.714 . . . . 0.0 109.866 179.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.417 ' N ' ' O ' ' A' ' 5' ' ' ILE . 61.3 tt0 -56.38 -40.64 74.93 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.273 -0.892 . . . . 0.0 109.244 -179.617 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 66.4 tt0 -61.17 -43.74 98.41 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.167 -0.958 . . . . 0.0 108.882 179.335 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 23.5 tp10 -60.55 -39.82 89.32 Favored 'General case' 0 C--N 1.306 -1.321 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.571 ' O ' ' N ' ' A' ' 16' ' ' HIS . 17.9 t60 -61.59 -48.08 82.55 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.179 -0.951 . . . . 0.0 109.753 179.594 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 34.7 tp10 -60.44 -41.07 93.27 Favored 'General case' 0 C--N 1.296 -1.744 0 O-C-N 121.188 -0.945 . . . . 0.0 110.365 -179.113 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -62.75 -31.25 72.16 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.333 -0.854 . . . . 0.0 112.677 -178.287 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -140.06 -4.17 1.36 Allowed 'General case' 0 N--CA 1.51 2.533 0 O-C-N 120.539 -1.351 . . . . 0.0 111.935 -177.557 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.571 ' N ' ' O ' ' A' ' 12' ' ' HIS . 88.2 m-70 54.97 43.12 30.39 Favored 'General case' 0 N--CA 1.495 1.796 0 N-CA-C 107.349 -1.352 . . . . 0.0 107.349 -177.255 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 90.9 p -64.29 157.27 26.49 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.579 -0.701 . . . . 0.0 110.707 -178.463 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 19.9 m120 -73.36 159.92 32.59 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.406 -0.809 . . . . 0.0 109.318 179.707 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 36.5 p-90 -57.36 -29.39 63.98 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.182 -0.949 . . . . 0.0 109.851 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -63.97 -40.04 95.5 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.018 -1.051 . . . . 0.0 109.822 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.49 -49.63 58.28 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.145 -0.972 . . . . 0.0 109.267 -179.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 78.9 mtm -60.2 -41.02 92.1 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.228 -0.92 . . . . 0.0 109.5 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.521 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -56.76 -46.7 81.28 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.186 -0.946 . . . . 0.0 109.608 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 7.7 t -69.8 -37.32 76.26 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.171 -0.956 . . . . 0.0 110.565 -179.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -60.36 -39.98 89.11 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.266 -0.896 . . . . 0.0 110.435 -178.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -111.05 0.9 17.09 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.432 -0.793 . . . . 0.0 109.765 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.521 ' N ' ' O ' ' A' ' 23' ' ' ALA . 15.2 m120 55.01 47.16 22.72 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.593 -0.692 . . . . 0.0 109.969 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 45.1 mt -112.6 151.69 44.1 Favored Pre-proline 0 N--CA 1.503 2.201 0 O-C-N 121.226 -0.922 . . . . 0.0 108.873 179.644 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -58.78 162.14 13.7 Favored 'Trans proline' 0 C--N 1.312 -1.345 0 C-N-CA 121.431 1.421 . . . . 0.0 111.41 179.655 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.519 ' O ' ' N ' ' A' ' 34' ' ' LYS . 12.2 Cg_endo -56.7 -29.54 80.51 Favored 'Trans proline' 0 C--N 1.304 -1.77 0 C-N-CA 122.412 2.075 . . . . 0.0 111.408 179.482 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 95.4 t -57.56 -49.33 80.82 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.611 0 O-C-N 121.117 -0.989 . . . . 0.0 109.659 -178.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 59.4 t -68.48 -47.72 75.92 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.914 0 C-N-CA 118.937 -1.105 . . . . 0.0 108.841 -179.617 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.54 -44.53 86.59 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.423 -0.798 . . . . 0.0 110.436 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.519 ' N ' ' O ' ' A' ' 30' ' ' PRO . 19.8 mmmt -62.74 -35.66 80.5 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.811 -1.181 . . . . 0.0 109.646 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.5 tm-20 -61.72 -40.05 93.68 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.283 -0.886 . . . . 0.0 110.203 -178.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 26.8 mt -60.12 -40.22 82.76 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 120.787 -1.196 . . . . 0.0 108.67 179.458 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 69.0 t -62.98 -39.6 85.8 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 121.268 -0.895 . . . . 0.0 109.241 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.21 -33.46 72.28 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.392 -0.817 . . . . 0.0 110.25 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 52.5 m -77.68 -27.54 50.82 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.289 -0.882 . . . . 0.0 110.164 -178.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 44.3 t -79.62 104.51 10.27 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.183 -0.948 . . . . 0.0 109.236 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -60.12 -31.37 69.99 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.327 -0.858 . . . . 0.0 110.587 -179.499 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -69.27 -43.34 74.12 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.949 -1.095 . . . . 0.0 110.653 -179.114 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 88.3 m -84.42 -32.39 24.13 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.92 -1.113 . . . . 0.0 110.269 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 . . . . . 0 N--CA 1.495 1.824 0 O-C-N 121.07 -1.019 . . . . 0.0 111.066 -178.587 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 . . . . . 0 N--CA 1.49 1.543 0 CA-C-O 121.366 0.603 . . . . 0.0 109.923 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 16.5 mt -74.03 -40.32 62.94 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.468 -0.77 . . . . 0.0 111.499 -178.107 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -65.99 -42.11 90.21 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.634 -1.291 . . . . 0.0 110.674 -178.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.71 -47.81 46.37 Favored Glycine 0 N--CA 1.489 2.19 0 N-CA-C 109.671 -1.372 . . . . 0.0 109.671 -179.65 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . 0.429 ' O ' ' N ' ' B' ' 9' ' ' GLN . 90.1 mt -60.01 -38.83 78.31 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.526 0 O-C-N 121.425 -1.044 . . . . 0.0 110.274 -179.651 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -55.41 -46.36 76.64 Favored 'General case' 0 C--N 1.296 -1.723 0 O-C-N 120.77 -1.206 . . . . 0.0 109.13 -179.371 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -69.06 -42.26 76.51 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.949 -1.095 . . . . 0.0 108.929 178.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.43 -36.94 82.24 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.402 -0.811 . . . . 0.0 109.893 179.615 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . 0.429 ' N ' ' O ' ' B' ' 5' ' ' ILE . 61.0 tt0 -57.58 -40.45 79.03 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.439 -0.788 . . . . 0.0 109.118 -179.3 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 69.2 tt0 -61.12 -43.7 98.48 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.27 -0.894 . . . . 0.0 108.861 179.238 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 25.7 tp10 -60.43 -40.95 92.9 Favored 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 179.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 12' ' ' HIS . . . . . 0.565 ' O ' ' N ' ' B' ' 16' ' ' HIS . 17.4 t60 -60.98 -46.16 91.87 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.249 -0.907 . . . . 0.0 110.246 179.77 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 34.2 tp10 -61.97 -41.31 97.87 Favored 'General case' 0 C--N 1.298 -1.647 0 O-C-N 121.072 -1.017 . . . . 0.0 110.284 -179.296 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 57.1 mtpt -62.62 -31.63 72.51 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.562 -0.711 . . . . 0.0 112.615 -178.014 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -139.11 -6.38 1.41 Allowed 'General case' 0 N--CA 1.506 2.359 0 O-C-N 120.576 -1.328 . . . . 0.0 111.934 -177.567 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.565 ' N ' ' O ' ' B' ' 12' ' ' HIS . 87.7 m-70 56.52 44.2 24.53 Favored 'General case' 0 N--CA 1.497 1.919 0 N-CA-C 107.075 -1.454 . . . . 0.0 107.075 -177.051 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 91.0 p -65.26 157.0 30.17 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.595 -0.691 . . . . 0.0 110.676 -178.451 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -73.75 159.04 33.53 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.473 -0.767 . . . . 0.0 109.044 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 42.3 p-90 -56.53 -29.43 61.89 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.066 -1.021 . . . . 0.0 110.257 -179.423 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -63.86 -39.91 95.32 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.946 -1.096 . . . . 0.0 110.225 -179.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.64 -49.49 58.76 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.304 -0.872 . . . . 0.0 109.163 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 78.6 mtm -60.35 -40.12 89.58 Favored 'General case' 0 C--N 1.301 -1.505 0 C-N-CA 119.371 -0.932 . . . . 0.0 109.5 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . 0.504 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -58.14 -45.65 87.01 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.246 -0.909 . . . . 0.0 109.454 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 7.6 t -70.56 -37.04 73.96 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.445 -0.784 . . . . 0.0 110.536 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -61.23 -40.25 93.3 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.052 -1.03 . . . . 0.0 110.132 -178.674 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -110.16 1.6 18.87 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.587 -0.696 . . . . 0.0 109.527 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . 0.504 ' N ' ' O ' ' B' ' 23' ' ' ALA . 15.3 m120 54.16 48.34 21.15 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.376 -0.827 . . . . 0.0 109.86 179.645 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 47.2 mt -113.57 152.75 45.66 Favored Pre-proline 0 N--CA 1.503 2.195 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -59.72 162.25 16.08 Favored 'Trans proline' 0 C--N 1.312 -1.379 0 C-N-CA 121.349 1.366 . . . . 0.0 111.115 179.567 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 30' ' ' PRO . . . . . 0.442 ' O ' ' N ' ' B' ' 34' ' ' LYS . 14.1 Cg_endo -56.88 -29.93 83.62 Favored 'Trans proline' 0 C--N 1.302 -1.915 0 C-N-CA 122.461 2.107 . . . . 0.0 111.628 179.393 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 96.1 t -57.13 -47.88 83.04 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.572 0 O-C-N 121.228 -0.92 . . . . 0.0 109.861 -179.419 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 57.3 t -70.01 -48.38 63.18 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.801 0 C-N-CA 118.591 -1.244 . . . . 0.0 108.959 -179.645 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.09 -43.53 91.82 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.393 -0.817 . . . . 0.0 110.653 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' B' ' 30' ' ' PRO . 19.9 mmmt -62.97 -36.13 82.47 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.739 -1.226 . . . . 0.0 109.719 179.807 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.4 tm-20 -61.21 -40.06 92.54 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.385 -0.822 . . . . 0.0 110.101 -179.064 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 23.3 mt -60.38 -40.01 82.72 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 120.774 -1.204 . . . . 0.0 108.576 179.445 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 63.1 t -63.4 -38.83 83.22 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 121.272 -0.892 . . . . 0.0 109.242 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . 0.503 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -61.1 -34.7 75.36 Favored 'General case' 0 C--N 1.298 -1.653 0 O-C-N 121.445 -0.784 . . . . 0.0 110.223 -179.744 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 56.7 m -76.11 -27.6 57.17 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.304 -0.873 . . . . 0.0 110.18 -179.117 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 44.0 t -80.37 104.56 11.0 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.118 -0.989 . . . . 0.0 109.56 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 80.9 m-20 -60.11 -31.77 70.37 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.454 -0.779 . . . . 0.0 110.829 -179.657 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -68.74 -42.53 77.45 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.756 -1.215 . . . . 0.0 110.138 -179.148 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 84.6 m -85.44 -31.89 22.6 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.94 -1.1 . . . . 0.0 110.549 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . 0.503 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 49.5 tt0 . . . . . 0 N--CA 1.497 1.903 0 O-C-N 121.047 -1.033 . . . . 0.0 110.754 -178.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 . . . . . 0 N--CA 1.492 1.63 0 CA-C-O 121.04 0.448 . . . . 0.0 110.289 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 40.4 mt -74.55 -19.59 60.28 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.078 -1.014 . . . . 0.0 111.532 -178.161 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 0.51 ' CG ' ' H ' ' A' ' 4' ' ' GLY . 31.5 p-10 -67.94 -61.35 1.91 Allowed 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.83 -1.169 . . . . 0.0 111.367 -178.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.51 ' H ' ' CG ' ' A' ' 3' ' ' ASP . . . -63.36 -41.57 99.4 Favored Glycine 0 N--CA 1.493 2.475 0 C-N-CA 119.881 -1.152 . . . . 0.0 110.275 -179.116 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.461 ' O ' ' N ' ' A' ' 9' ' ' GLN . 97.0 mt -59.04 -40.53 80.96 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.547 0 O-C-N 121.134 -1.215 . . . . 0.0 110.702 -179.399 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 60.9 t0 -55.6 -47.81 75.88 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.831 -1.168 . . . . 0.0 109.055 -179.455 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 7.3 tmtt? -68.98 -47.75 64.8 Favored 'General case' 0 C--N 1.298 -1.661 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 179.295 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.93 -33.37 74.15 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.259 -0.901 . . . . 0.0 110.184 179.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.461 ' N ' ' O ' ' A' ' 5' ' ' ILE . 7.2 tt0 -59.14 -39.82 83.59 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.12 -0.988 . . . . 0.0 109.028 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -60.02 -42.27 93.96 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.435 -0.791 . . . . 0.0 109.052 179.151 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.7 tm-20 -60.02 -40.21 88.49 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.232 -0.918 . . . . 0.0 109.277 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.52 ' O ' ' N ' ' A' ' 16' ' ' HIS . 13.9 t60 -63.04 -43.85 97.51 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.104 -0.997 . . . . 0.0 109.896 179.492 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 -61.44 -43.26 99.18 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.247 -0.908 . . . . 0.0 110.145 -179.475 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 52.3 mtpt -62.02 -35.82 79.7 Favored 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 112.689 0.626 . . . . 0.0 112.689 -178.174 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -135.4 -4.56 2.33 Favored 'General case' 0 N--CA 1.506 2.349 0 O-C-N 120.765 -1.21 . . . . 0.0 112.87 -176.667 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.52 ' N ' ' O ' ' A' ' 12' ' ' HIS . 89.3 m-70 55.65 40.73 30.97 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 120.622 -1.299 . . . . 0.0 107.523 -177.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 78.8 p -60.52 156.82 15.46 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.535 -0.728 . . . . 0.0 110.766 -178.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 -73.64 156.45 37.99 Favored 'General case' 0 N--CA 1.49 1.572 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 179.251 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 44.8 p-90 -57.89 -30.19 65.66 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.104 -0.998 . . . . 0.0 110.211 -179.58 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -62.41 -40.2 95.77 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.845 -1.159 . . . . 0.0 109.524 179.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.29 -49.48 55.57 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.52 -0.738 . . . . 0.0 109.448 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 77.4 mtm -60.19 -40.37 89.81 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.025 -1.047 . . . . 0.0 109.43 178.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.421 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -57.29 -49.2 76.82 Favored 'General case' 0 C--N 1.303 -1.435 0 C-N-CA 119.171 -1.012 . . . . 0.0 108.764 -179.562 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 42.1 m -70.42 -34.05 72.06 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.665 -0.647 . . . . 0.0 110.389 179.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 84.4 m-20 -60.02 -42.03 93.44 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.963 -1.086 . . . . 0.0 109.941 -178.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -110.78 1.8 18.0 Favored 'General case' 0 N--CA 1.504 2.235 0 O-C-N 121.283 -0.886 . . . . 0.0 110.77 -179.633 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.421 ' N ' ' O ' ' A' ' 23' ' ' ALA . 56.2 m-20 58.89 48.61 10.86 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.282 -0.886 . . . . 0.0 109.758 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 80.8 mt -114.07 150.56 43.78 Favored Pre-proline 0 N--CA 1.503 2.205 0 O-C-N 121.475 -0.765 . . . . 0.0 108.974 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -60.35 160.69 22.54 Favored 'Trans proline' 0 N--CA 1.488 1.198 0 C-N-CA 121.753 1.635 . . . . 0.0 111.599 179.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -55.23 -36.2 92.86 Favored 'Trans proline' 0 C--N 1.308 -1.578 0 C-N-CA 122.858 2.372 . . . . 0.0 112.31 -179.05 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 98.4 t -56.71 -46.73 83.14 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.649 0 O-C-N 121.133 -0.979 . . . . 0.0 109.41 -179.127 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 60.8 t -68.14 -50.08 61.6 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.788 0 C-N-CA 118.169 -1.413 . . . . 0.0 109.629 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.07 -47.93 80.82 Favored 'General case' 0 C--N 1.298 -1.647 0 O-C-N 121.337 -0.852 . . . . 0.0 110.11 -179.694 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -62.11 -35.9 80.11 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.706 -1.246 . . . . 0.0 110.399 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.3 tm-20 -60.43 -39.55 87.87 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.115 -0.991 . . . . 0.0 109.696 -179.042 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 73.9 mt -60.48 -40.36 84.05 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.391 0 O-C-N 120.718 -1.239 . . . . 0.0 109.165 179.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 90.8 t -63.43 -39.06 83.88 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.398 0 N-CA-C 108.601 -0.889 . . . . 0.0 108.601 178.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.83 -31.81 71.21 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.569 -0.707 . . . . 0.0 109.441 179.65 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 26.7 m -78.39 -24.72 46.15 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.204 -0.935 . . . . 0.0 109.406 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 43.4 t -82.64 102.2 11.31 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.285 -0.885 . . . . 0.0 109.124 179.463 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 81.7 m-20 -59.67 -30.41 68.74 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.513 -0.742 . . . . 0.0 110.514 -179.554 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 59.6 mttp -69.95 -41.28 74.75 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.94 -1.1 . . . . 0.0 110.886 -178.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 92.8 m -87.03 -19.21 28.98 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 120.912 -1.118 . . . . 0.0 110.192 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 . . . . . 0 N--CA 1.494 1.769 0 O-C-N 121.182 -0.949 . . . . 0.0 110.929 -178.166 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 . . . . . 0 N--CA 1.495 1.798 0 CA-C-O 121.284 0.564 . . . . 0.0 109.871 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 40.1 mt -74.72 -19.64 60.16 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.148 -0.97 . . . . 0.0 111.025 -178.597 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . 0.513 ' CG ' ' H ' ' B' ' 4' ' ' GLY . 27.7 p-10 -67.76 -62.17 1.54 Allowed 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.625 -1.297 . . . . 0.0 111.448 -178.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 4' ' ' GLY . . . . . 0.513 ' H ' ' CG ' ' B' ' 3' ' ' ASP . . . -62.82 -41.27 99.89 Favored Glycine 0 N--CA 1.494 2.545 0 N-CA-C 110.098 -1.201 . . . . 0.0 110.098 -179.092 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . 0.48 ' O ' ' N ' ' B' ' 9' ' ' GLN . 97.2 mt -59.43 -39.8 80.08 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.604 0 O-C-N 121.402 -1.058 . . . . 0.0 111.101 -179.309 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 61.1 t0 -56.93 -47.37 80.76 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.531 -1.356 . . . . 0.0 108.748 -179.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 6.9 tmtt? -68.73 -48.34 64.04 Favored 'General case' 0 C--N 1.3 -1.562 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 179.033 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.01 -34.56 75.02 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.284 -0.885 . . . . 0.0 110.019 179.707 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . 0.48 ' N ' ' O ' ' B' ' 5' ' ' ILE . 6.9 tt0 -57.93 -40.45 80.48 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.035 -1.041 . . . . 0.0 109.176 -179.643 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -60.21 -41.13 92.37 Favored 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 119.357 -0.937 . . . . 0.0 109.205 179.548 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 14.3 tm-20 -60.03 -40.99 91.23 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.163 -0.961 . . . . 0.0 109.024 179.562 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 12' ' ' HIS . . . . . 0.555 ' O ' ' N ' ' B' ' 16' ' ' HIS . 14.6 t60 -62.3 -43.46 98.77 Favored 'General case' 0 C--N 1.304 -1.398 0 C-N-CA 119.344 -0.942 . . . . 0.0 110.024 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -61.65 -43.34 99.05 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.187 -0.946 . . . . 0.0 110.411 -179.627 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 54.0 mtpt -62.31 -34.97 77.64 Favored 'General case' 0 C--N 1.296 -1.722 0 O-C-N 121.554 -0.716 . . . . 0.0 112.749 -178.12 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 -136.21 -3.29 2.21 Favored 'General case' 0 N--CA 1.505 2.323 0 O-C-N 120.975 -1.078 . . . . 0.0 112.684 -176.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.555 ' N ' ' O ' ' B' ' 12' ' ' HIS . 88.4 m-70 54.12 41.38 32.04 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.56 -1.338 . . . . 0.0 107.396 -177.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 84.1 p -60.65 158.2 13.04 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.499 -0.751 . . . . 0.0 110.585 -178.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -74.59 156.72 36.48 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 179.255 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 42.2 p-90 -58.18 -29.89 65.98 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.943 -1.098 . . . . 0.0 110.289 -179.619 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -62.88 -39.72 95.3 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.778 -1.201 . . . . 0.0 109.648 179.64 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.28 -48.92 60.32 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.494 -0.753 . . . . 0.0 109.468 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 78.1 mtm -60.45 -40.18 90.23 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.055 -1.028 . . . . 0.0 109.063 179.184 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . 0.423 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -57.49 -49.62 75.71 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 119.432 -0.907 . . . . 0.0 108.991 -179.849 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 47.1 m -70.81 -32.61 69.73 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.46 -0.775 . . . . 0.0 110.399 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -61.22 -41.6 97.14 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.975 -1.078 . . . . 0.0 110.411 -178.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -111.5 1.99 17.2 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.533 -0.729 . . . . 0.0 110.579 -179.536 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . 0.423 ' N ' ' O ' ' B' ' 23' ' ' ALA . 61.0 m-20 58.48 49.85 10.09 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.389 -0.82 . . . . 0.0 109.717 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 80.0 mt -114.47 150.89 44.59 Favored Pre-proline 0 N--CA 1.501 2.08 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 179.626 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_endo -61.29 160.49 26.77 Favored 'Trans proline' 0 N--CA 1.491 1.364 0 C-N-CA 121.713 1.609 . . . . 0.0 111.589 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_endo -55.06 -35.66 90.92 Favored 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.845 2.363 . . . . 0.0 112.536 -179.055 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 88.2 t -56.92 -47.45 83.17 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.749 0 O-C-N 120.936 -1.102 . . . . 0.0 109.377 -179.372 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 59.5 t -67.46 -50.89 57.67 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.867 0 C-N-CA 118.108 -1.437 . . . . 0.0 109.715 -179.661 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.45 -46.78 86.96 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.179 -0.95 . . . . 0.0 110.544 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -62.68 -36.71 83.8 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.783 -1.198 . . . . 0.0 110.344 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 13.5 tm-20 -59.79 -39.47 85.07 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.035 -1.041 . . . . 0.0 109.822 -178.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 77.0 mt -60.46 -40.37 84.02 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.471 0 O-C-N 120.812 -1.18 . . . . 0.0 109.167 179.709 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 90.8 t -63.62 -39.23 84.57 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.546 0 N-CA-C 108.55 -0.908 . . . . 0.0 108.55 179.108 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . 0.494 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -60.32 -31.95 70.77 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.273 -0.892 . . . . 0.0 109.286 179.576 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 31.5 m -78.06 -24.15 47.81 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.242 -0.911 . . . . 0.0 109.593 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 42.0 t -83.45 102.09 11.83 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.272 -0.893 . . . . 0.0 108.797 179.358 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -60.02 -29.24 68.37 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.452 -0.78 . . . . 0.0 110.349 -179.295 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 60.7 mttp -70.92 -40.66 71.98 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.911 -1.118 . . . . 0.0 110.807 -178.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 93.6 m -87.36 -19.13 28.59 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 120.839 -1.163 . . . . 0.0 109.906 179.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . 0.494 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 44.6 tt0 . . . . . 0 N--CA 1.494 1.757 0 O-C-N 121.101 -0.999 . . . . 0.0 111.008 -178.256 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 67.8 m-85 . . . . . 0 N--CA 1.493 1.693 0 CA-C-O 121.7 0.762 . . . . 0.0 109.987 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 41.6 mt -69.97 -35.83 74.74 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.411 -0.805 . . . . 0.0 111.049 -178.27 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -67.09 -54.2 23.73 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.026 -1.046 . . . . 0.0 110.805 -178.48 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.45 -46.18 94.35 Favored Glycine 0 N--CA 1.49 2.258 0 N-CA-C 109.783 -1.327 . . . . 0.0 109.783 -179.603 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 85.7 mt -59.8 -39.86 81.02 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.443 0 O-C-N 121.622 -0.928 . . . . 0.0 110.005 -179.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -53.51 -44.8 69.38 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 120.971 -1.081 . . . . 0.0 109.351 -179.245 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -69.46 -42.16 75.27 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.126 -0.984 . . . . 0.0 109.424 179.275 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.46 -37.34 82.78 Favored 'General case' 0 C--N 1.3 -1.567 0 C-N-CA 120.066 -0.654 . . . . 0.0 109.294 179.671 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -56.32 -41.36 75.9 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.527 -0.733 . . . . 0.0 109.1 -179.239 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 27.4 tp10 -61.98 -40.27 95.05 Favored 'General case' 0 C--N 1.305 -1.33 0 C-N-CA 118.931 -1.107 . . . . 0.0 108.605 179.025 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 22.3 tp10 -61.34 -40.42 94.18 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.358 -0.839 . . . . 0.0 109.467 179.489 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.505 ' O ' ' N ' ' A' ' 16' ' ' HIS . 16.3 t60 -62.41 -45.5 92.84 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.243 -0.91 . . . . 0.0 109.666 179.798 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -60.22 -40.5 90.37 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.35 -0.844 . . . . 0.0 110.454 -179.251 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt -63.58 -39.85 95.45 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.522 -0.736 . . . . 0.0 112.884 -178.383 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -132.34 -0.16 3.66 Favored 'General case' 0 N--CA 1.507 2.419 0 O-C-N 121.031 -1.043 . . . . 0.0 112.562 -176.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.505 ' N ' ' O ' ' A' ' 12' ' ' HIS . 86.5 m-70 52.65 42.32 31.55 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.37 -1.456 . . . . 0.0 107.417 -177.832 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 79.5 p -62.99 153.86 32.46 Favored 'General case' 0 C--N 1.3 -1.564 0 C-N-CA 120.131 -0.628 . . . . 0.0 110.164 -178.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -74.15 161.17 30.26 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.428 -0.795 . . . . 0.0 109.127 179.593 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 39.4 p-90 -58.04 -30.26 66.02 Favored 'General case' 0 N--CA 1.49 1.545 0 C-N-CA 119.829 -0.748 . . . . 0.0 110.514 -179.285 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 84.4 mtm180 -63.89 -40.48 96.62 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.975 -1.078 . . . . 0.0 109.857 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.33 -48.23 62.05 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.439 -0.788 . . . . 0.0 109.521 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 74.5 mtm -61.55 -40.66 95.48 Favored 'General case' 0 C--N 1.297 -1.678 0 O-C-N 121.543 -0.723 . . . . 0.0 109.567 179.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.474 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -57.97 -48.03 81.21 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.151 -0.968 . . . . 0.0 109.082 179.795 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 8.6 t -69.72 -36.48 75.92 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.042 -1.036 . . . . 0.0 110.216 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 81.7 m-20 -60.04 -40.38 89.18 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.309 -0.869 . . . . 0.0 110.536 -179.176 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -111.51 3.17 17.85 Favored 'General case' 0 N--CA 1.503 2.206 0 O-C-N 121.315 -0.866 . . . . 0.0 110.077 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.474 ' N ' ' O ' ' A' ' 23' ' ' ALA . 48.9 m-20 55.74 48.08 19.09 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.517 -0.739 . . . . 0.0 109.923 179.453 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 80.4 mt -113.67 151.82 44.93 Favored Pre-proline 0 N--CA 1.5 2.041 0 O-C-N 121.185 -0.947 . . . . 0.0 108.966 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 28.2 Cg_endo -61.97 148.96 92.08 Favored 'Trans proline' 0 N--CA 1.491 1.356 0 C-N-CA 121.501 1.467 . . . . 0.0 111.638 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_exo -41.79 -38.28 4.5 Favored 'Trans proline' 0 C--N 1.312 -1.358 0 C-N-CA 122.16 1.907 . . . . 0.0 111.925 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 77.1 t -52.79 -51.54 35.41 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.705 0 O-C-N 121.366 -0.834 . . . . 0.0 110.367 -178.648 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 77.0 t -66.02 -47.34 85.44 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.013 0 C-N-CA 118.091 -1.444 . . . . 0.0 109.557 -179.029 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.49 -45.36 83.93 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.244 -0.91 . . . . 0.0 110.31 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 40.2 mtmt -63.3 -36.07 82.46 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 120.778 -1.201 . . . . 0.0 110.758 -179.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.2 tm-20 -60.51 -37.86 82.5 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 119.053 -1.059 . . . . 0.0 109.372 -179.112 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 62.8 mt -60.04 -39.91 81.69 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 120.859 -1.151 . . . . 0.0 108.632 179.267 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 92.3 t -63.39 -38.28 81.75 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 179.013 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.54 -32.18 70.09 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.698 -0.627 . . . . 0.0 109.364 179.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 59.3 m -79.53 -26.85 41.38 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.133 -0.98 . . . . 0.0 109.279 179.606 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 41.5 t -82.28 102.36 11.13 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.087 -1.008 . . . . 0.0 109.354 179.682 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -60.0 -31.45 69.94 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.518 -0.739 . . . . 0.0 110.427 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -69.23 -43.02 74.89 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.918 -1.114 . . . . 0.0 110.645 -178.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 98.9 m -84.96 -19.12 32.61 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.703 -1.248 . . . . 0.0 109.828 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 . . . . . 0 C--N 1.302 -1.481 0 O-C-N 121.122 -0.986 . . . . 0.0 109.743 -179.414 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 121.694 0.759 . . . . 0.0 110.037 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 38.7 mt -70.85 -36.01 72.68 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.446 -0.784 . . . . 0.0 111.362 -177.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 51.0 t0 -66.93 -52.42 43.23 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.978 -1.076 . . . . 0.0 111.083 -178.583 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.6 -44.87 94.41 Favored Glycine 0 N--CA 1.49 2.246 0 N-CA-C 109.831 -1.308 . . . . 0.0 109.831 -179.418 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . 0.406 ' O ' ' N ' ' B' ' 9' ' ' GLN . 86.9 mt -60.14 -39.53 80.81 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.491 -1.005 . . . . 0.0 109.97 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 61.6 t0 -53.64 -45.12 70.08 Favored 'General case' 0 C--N 1.3 -1.579 0 C-N-CA 119.555 -0.858 . . . . 0.0 109.144 -179.058 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 62.1 mttp -69.48 -42.11 75.26 Favored 'General case' 0 C--N 1.301 -1.531 0 C-N-CA 119.306 -0.958 . . . . 0.0 109.223 179.333 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.61 -36.47 80.91 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.589 -0.694 . . . . 0.0 109.219 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . 0.406 ' N ' ' O ' ' B' ' 5' ' ' ILE . 58.3 tt0 -57.31 -41.51 80.04 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.468 -0.77 . . . . 0.0 109.169 -179.451 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 28.9 tp10 -61.87 -40.4 95.25 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.009 -1.057 . . . . 0.0 108.464 178.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 21.8 tp10 -61.79 -40.3 94.72 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.478 -0.764 . . . . 0.0 109.613 179.39 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 12' ' ' HIS . . . . . 0.542 ' O ' ' N ' ' B' ' 16' ' ' HIS . 15.8 t60 -62.22 -45.3 93.98 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.117 -0.989 . . . . 0.0 109.575 179.639 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -60.28 -42.13 94.79 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.482 -0.761 . . . . 0.0 110.291 -178.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -62.11 -37.55 85.53 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.488 -0.758 . . . . 0.0 112.945 -178.579 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -134.32 -1.32 2.89 Favored 'General case' 0 N--CA 1.505 2.275 0 O-C-N 121.032 -1.043 . . . . 0.0 113.004 -176.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.542 ' N ' ' O ' ' B' ' 12' ' ' HIS . 88.0 m-70 53.43 41.18 32.14 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.443 -1.41 . . . . 0.0 107.524 -177.471 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 79.8 p -62.32 154.37 28.08 Favored 'General case' 0 C--N 1.304 -1.403 0 C-N-CA 119.974 -0.69 . . . . 0.0 110.145 -178.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -74.75 162.94 28.23 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.113 -0.992 . . . . 0.0 109.363 179.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 34.4 p-90 -59.29 -29.99 68.0 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.37 -0.831 . . . . 0.0 110.398 -179.479 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 85.1 mtm180 -64.33 -41.23 96.9 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 120.678 -1.264 . . . . 0.0 110.034 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.79 -48.97 62.31 Favored 'General case' 0 C--N 1.303 -1.433 0 C-N-CA 119.854 -0.738 . . . . 0.0 109.109 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 74.4 mtm -60.92 -42.12 97.5 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.347 -0.845 . . . . 0.0 109.502 179.666 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . 0.465 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -56.72 -47.91 78.91 Favored 'General case' 0 C--N 1.299 -1.595 0 C-N-CA 119.376 -0.93 . . . . 0.0 109.062 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 8.4 t -69.69 -37.46 76.62 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.072 -1.018 . . . . 0.0 110.032 -179.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -59.01 -40.25 84.36 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.162 -0.961 . . . . 0.0 110.286 -178.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -111.08 2.34 17.86 Favored 'General case' 0 N--CA 1.504 2.273 0 O-C-N 121.326 -0.859 . . . . 0.0 110.352 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . 0.465 ' N ' ' O ' ' B' ' 23' ' ' ALA . 51.4 m-20 56.07 48.91 16.68 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.405 -0.809 . . . . 0.0 109.917 179.743 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 79.7 mt -115.13 152.27 46.52 Favored Pre-proline 0 N--CA 1.501 2.082 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_endo -61.54 150.48 85.16 Favored 'Trans proline' 0 N--CA 1.494 1.512 0 C-N-CA 121.651 1.568 . . . . 0.0 111.717 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -42.8 -39.3 7.35 Favored 'Trans proline' 0 N--CA 1.488 1.167 0 C-N-CA 121.992 1.795 . . . . 0.0 111.867 179.422 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 70.4 t -51.93 -51.26 30.0 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 121.197 -0.94 . . . . 0.0 110.666 -178.56 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 63.7 t -66.74 -45.91 86.93 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.953 0 C-N-CA 118.314 -1.355 . . . . 0.0 109.455 -179.207 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.07 -46.18 78.64 Favored 'General case' 0 C--N 1.299 -1.587 0 C-N-CA 119.774 -0.771 . . . . 0.0 110.119 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 41.0 mtmt -63.24 -36.1 82.54 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 120.57 -1.331 . . . . 0.0 110.89 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -60.35 -38.44 83.8 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 120.763 -1.21 . . . . 0.0 109.592 -178.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 68.3 mt -59.71 -40.19 81.72 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.344 0 C-N-CA 118.908 -1.117 . . . . 0.0 108.209 179.375 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 95.9 t -63.02 -38.03 80.92 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.852 0 O-C-N 121.342 -0.849 . . . . 0.0 108.847 179.039 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . 0.545 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -59.62 -31.98 70.0 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 179.685 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 49.5 m -79.47 -27.99 41.57 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.232 -0.918 . . . . 0.0 109.287 179.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 40.8 t -82.08 101.19 10.22 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.318 -0.864 . . . . 0.0 109.1 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -59.57 -31.56 69.55 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.29 -0.881 . . . . 0.0 110.466 -179.425 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -68.56 -41.13 80.2 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.714 -1.241 . . . . 0.0 110.874 -178.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 97.2 m -86.75 -19.56 28.93 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.938 -1.101 . . . . 0.0 109.535 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . 0.545 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 7.2 tt0 . . . . . 0 N--CA 1.489 1.492 0 O-C-N 121.22 -0.925 . . . . 0.0 109.582 -179.509 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 . . . . . 0 N--CA 1.493 1.678 0 CA-C-O 121.462 0.649 . . . . 0.0 109.726 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 16.7 mt -71.8 -33.62 68.71 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.446 -0.783 . . . . 0.0 111.658 -178.037 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 0.507 ' OD1' ' N ' ' A' ' 3' ' ' ASP . 18.8 p-10 -68.94 -57.72 5.11 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 120.935 -1.103 . . . . 0.0 111.873 -178.183 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.461 ' H ' ' CG ' ' A' ' 3' ' ' ASP . . . -63.28 -44.4 97.04 Favored Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.68 -1.368 . . . . 0.0 109.68 -178.776 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.503 ' O ' ' N ' ' A' ' 9' ' ' GLN . 82.8 mt -58.93 -40.13 79.58 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.586 0 O-C-N 121.154 -1.203 . . . . 0.0 109.957 -179.514 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -55.39 -44.02 75.73 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 120.609 -1.307 . . . . 0.0 108.975 -179.423 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -70.26 -47.46 61.21 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.308 -0.87 . . . . 0.0 109.14 178.687 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.27 -34.34 77.88 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.292 -0.88 . . . . 0.0 109.659 179.638 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.503 ' N ' ' O ' ' A' ' 5' ' ' ILE . 56.1 tt0 -56.93 -40.49 76.47 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.326 -0.859 . . . . 0.0 109.424 179.836 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -61.72 -41.25 97.37 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.174 -0.954 . . . . 0.0 108.947 179.433 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.4 tm-20 -60.45 -41.84 94.93 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.517 -0.739 . . . . 0.0 109.764 179.684 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.572 ' O ' ' N ' ' A' ' 16' ' ' HIS . 17.4 t60 -60.25 -40.82 91.65 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.19 -0.944 . . . . 0.0 109.449 -179.722 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -61.74 -45.68 92.91 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.664 -0.647 . . . . 0.0 110.637 -179.023 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 33.8 mtmm -62.39 -39.81 94.43 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.185 -0.947 . . . . 0.0 112.458 -178.328 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 49.3 m-85 -126.58 -4.6 6.53 Favored 'General case' 0 N--CA 1.506 2.37 0 O-C-N 120.952 -1.093 . . . . 0.0 113.073 -176.345 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.572 ' N ' ' O ' ' A' ' 12' ' ' HIS . 92.8 m-70 51.78 40.39 27.57 Favored 'General case' 0 N--CA 1.497 1.879 0 N-CA-C 106.777 -1.564 . . . . 0.0 106.777 -176.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 95.4 p -61.36 155.92 20.28 Favored 'General case' 0 C--N 1.303 -1.451 0 CA-C-O 121.438 0.637 . . . . 0.0 110.594 -177.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -73.75 160.79 31.0 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.587 -0.696 . . . . 0.0 109.209 179.691 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 38.6 p-90 -57.98 -30.29 65.92 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.053 -1.029 . . . . 0.0 110.416 -179.435 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 58.0 mtp180 -63.47 -39.9 95.67 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.044 -1.035 . . . . 0.0 109.674 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.15 -49.08 60.04 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.256 -0.902 . . . . 0.0 108.612 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 77.2 mtm -60.08 -40.74 90.61 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.448 -0.782 . . . . 0.0 109.859 179.416 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.504 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -59.63 -48.8 80.25 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.248 -0.908 . . . . 0.0 108.896 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 40.7 t -68.51 -36.47 78.94 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.405 -0.809 . . . . 0.0 110.342 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -60.49 -39.98 89.67 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.211 -0.931 . . . . 0.0 110.546 -178.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -111.85 0.16 16.06 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.48 -0.763 . . . . 0.0 109.619 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.504 ' N ' ' O ' ' A' ' 23' ' ' ALA . 38.0 t-20 58.49 50.44 9.26 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.39 -0.819 . . . . 0.0 109.848 179.151 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 76.0 mt -119.56 152.38 53.04 Favored Pre-proline 0 N--CA 1.5 2.061 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -59.99 163.1 14.67 Favored 'Trans proline' 0 C--N 1.314 -1.27 0 C-N-CA 121.465 1.443 . . . . 0.0 111.347 179.618 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.503 ' O ' ' N ' ' A' ' 34' ' ' LYS . 19.8 Cg_endo -57.14 -33.38 95.76 Favored 'Trans proline' 0 C--N 1.306 -1.678 0 C-N-CA 122.761 2.307 . . . . 0.0 111.354 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 60.5 t -53.39 -50.53 47.8 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.72 0 O-C-N 120.816 -1.177 . . . . 0.0 109.472 -179.1 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 61.0 t -67.94 -49.57 67.38 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.73 0 C-N-CA 119.009 -1.077 . . . . 0.0 109.208 -179.466 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.11 -44.72 91.4 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.239 -0.913 . . . . 0.0 110.461 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.546 ' CB ' ' HZ3' ' A' ' 34' ' ' LYS . 8.0 mtmp? -63.16 -35.76 81.35 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.565 -1.335 . . . . 0.0 110.319 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.9 tm-20 -60.03 -39.89 87.44 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 120.996 -1.065 . . . . 0.0 110.342 -179.214 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 54.5 mt -60.55 -40.33 84.12 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.381 0 O-C-N 120.864 -1.148 . . . . 0.0 109.099 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 65.2 t -63.96 -38.78 83.29 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.487 0 O-C-N 121.052 -1.03 . . . . 0.0 108.603 179.345 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.73 -32.09 70.23 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.438 -0.789 . . . . 0.0 110.029 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.8 m -78.27 -21.6 49.57 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.186 -0.946 . . . . 0.0 110.049 -178.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 45.4 t -83.82 105.03 14.4 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.045 -1.034 . . . . 0.0 109.464 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -61.24 -30.78 70.65 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.355 -0.841 . . . . 0.0 110.539 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -69.14 -40.0 78.52 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.87 -1.143 . . . . 0.0 111.139 -178.607 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 66.6 m -84.39 -29.79 25.92 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.113 -0.992 . . . . 0.0 109.688 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 . . . . . 0 N--CA 1.499 2.024 0 O-C-N 121.162 -0.961 . . . . 0.0 111.143 -178.984 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 . . . . . 0 N--CA 1.49 1.573 0 CA-C-O 121.35 0.595 . . . . 0.0 109.636 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 14.6 mt -70.69 -34.73 72.28 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.517 -0.739 . . . . 0.0 111.557 -178.126 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . 0.535 ' OD1' ' N ' ' B' ' 3' ' ' ASP . 15.6 p-10 -66.3 -59.45 3.71 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.05 -1.031 . . . . 0.0 111.687 -177.825 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 4' ' ' GLY . . . . . 0.428 ' H ' ' CG ' ' B' ' 3' ' ' ASP . . . -63.84 -43.56 97.44 Favored Glycine 0 N--CA 1.492 2.367 0 C-N-CA 119.785 -1.198 . . . . 0.0 110.13 -178.511 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . 0.433 ' O ' ' N ' ' B' ' 9' ' ' GLN . 85.1 mt -59.07 -39.64 78.92 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.533 0 O-C-N 121.084 -1.244 . . . . 0.0 109.919 -179.408 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -55.34 -44.01 75.52 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.738 -1.226 . . . . 0.0 108.648 -179.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -70.81 -46.88 62.03 Favored 'General case' 0 C--N 1.298 -1.674 0 O-C-N 120.914 -1.116 . . . . 0.0 109.418 178.698 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.45 -34.03 77.26 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.416 -0.802 . . . . 0.0 109.469 179.544 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . 0.433 ' N ' ' O ' ' B' ' 5' ' ' ILE . 58.1 tt0 -57.16 -40.12 76.62 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.248 -0.907 . . . . 0.0 109.359 179.448 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . 0.409 ' HG2' ' HZ2' ' B' ' 14' ' ' LYS . 31.1 tt0 -62.56 -40.98 98.56 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.107 -0.996 . . . . 0.0 108.875 179.767 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 14.5 tm-20 -60.9 -41.67 96.52 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.525 -0.734 . . . . 0.0 109.945 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 12' ' ' HIS . . . . . 0.565 ' O ' ' N ' ' B' ' 16' ' ' HIS . 18.8 t60 -60.41 -40.41 90.9 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.893 -1.13 . . . . 0.0 109.205 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -61.22 -46.7 89.34 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.618 -0.676 . . . . 0.0 110.536 -178.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . 0.409 ' HZ2' ' HG2' ' B' ' 10' ' ' GLU . 33.6 mtmm -61.16 -40.26 93.21 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.466 -0.772 . . . . 0.0 112.785 -178.629 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 -127.16 -4.06 6.24 Favored 'General case' 0 N--CA 1.503 2.19 0 O-C-N 121.161 -0.962 . . . . 0.0 113.264 -175.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.565 ' N ' ' O ' ' B' ' 12' ' ' HIS . 92.2 m-70 51.68 39.93 26.28 Favored 'General case' 0 N--CA 1.5 2.037 0 N-CA-C 106.998 -1.482 . . . . 0.0 106.998 -177.366 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 88.9 p -61.76 154.37 25.84 Favored 'General case' 0 C--N 1.3 -1.587 0 CA-C-O 121.681 0.753 . . . . 0.0 110.755 -177.708 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -72.36 159.63 33.7 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.463 -0.773 . . . . 0.0 109.233 179.678 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 34.7 p-90 -56.73 -30.39 63.48 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.327 -0.858 . . . . 0.0 111.015 -179.281 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 54.3 mtp180 -63.53 -40.46 97.08 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.72 -1.237 . . . . 0.0 109.703 179.666 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.9 -48.76 65.14 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.212 -0.93 . . . . 0.0 108.756 -179.637 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 76.9 mtm -61.04 -42.24 98.09 Favored 'General case' 0 N--CA 1.49 1.553 0 C-N-CA 119.942 -0.703 . . . . 0.0 109.622 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . 0.509 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -58.3 -46.38 86.22 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.216 -0.927 . . . . 0.0 109.065 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 41.9 t -69.91 -37.49 75.97 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.56 -0.712 . . . . 0.0 110.578 179.562 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -60.04 -39.98 87.82 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.137 -0.977 . . . . 0.0 110.215 -178.687 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -111.43 -0.53 16.24 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.545 -0.722 . . . . 0.0 109.955 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . 0.509 ' N ' ' O ' ' B' ' 23' ' ' ALA . 33.7 t-20 58.64 49.78 9.86 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.049 -1.032 . . . . 0.0 110.11 179.188 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 68.9 mt -118.89 152.75 52.09 Favored Pre-proline 0 N--CA 1.497 1.9 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 179.636 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -59.81 163.02 14.36 Favored 'Trans proline' 0 N--CA 1.491 1.343 0 C-N-CA 121.481 1.454 . . . . 0.0 111.356 179.545 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 30' ' ' PRO . . . . . 0.424 ' O ' ' N ' ' B' ' 34' ' ' LYS . 19.0 Cg_endo -57.54 -30.79 89.66 Favored 'Trans proline' 0 C--N 1.304 -1.765 0 C-N-CA 122.722 2.281 . . . . 0.0 111.645 -179.799 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 60.4 t -56.04 -49.61 74.59 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.78 0 O-C-N 120.846 -1.158 . . . . 0.0 109.024 -179.18 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 57.8 t -68.16 -49.29 68.76 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.523 0 C-N-CA 118.875 -1.13 . . . . 0.0 109.317 -179.468 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.39 -44.99 89.61 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.365 -0.835 . . . . 0.0 110.436 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.507 ' CB ' ' HZ3' ' B' ' 34' ' ' LYS . 7.9 mtmp? -63.16 -34.69 78.18 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.61 -1.306 . . . . 0.0 110.327 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . 0.47 ' OE2' ' NZ ' ' A' ' 34' ' ' LYS . 15.6 tm-20 -60.27 -39.83 88.22 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.115 -0.991 . . . . 0.0 109.913 -179.267 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 60.5 mt -60.7 -39.9 83.1 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.456 0 O-C-N 120.773 -1.204 . . . . 0.0 109.389 179.694 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 67.7 t -64.9 -38.42 82.72 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 O-C-N 121.164 -0.96 . . . . 0.0 108.794 179.562 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . 0.512 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -60.48 -32.17 71.17 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.35 -0.844 . . . . 0.0 109.907 179.761 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 15.1 m -77.94 -23.79 48.45 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.245 -0.909 . . . . 0.0 110.011 -178.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 46.6 t -81.86 103.89 11.84 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.207 -0.933 . . . . 0.0 109.642 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -60.46 -30.71 69.85 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.019 -1.051 . . . . 0.0 110.531 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -69.03 -39.51 79.17 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 120.823 -1.173 . . . . 0.0 110.864 -178.724 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 65.3 m -84.52 -28.72 26.5 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.915 -1.115 . . . . 0.0 109.915 -179.729 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . 0.512 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 19.8 tt0 . . . . . 0 N--CA 1.5 2.066 0 O-C-N 121.069 -1.019 . . . . 0.0 111.491 -178.729 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 . . . . . 0 N--CA 1.487 1.4 0 CA-C-O 121.551 0.691 . . . . 0.0 109.377 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 15.5 mt -71.88 -39.86 69.34 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.57 -0.706 . . . . 0.0 110.808 -178.715 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -65.95 -43.89 86.64 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.222 -0.924 . . . . 0.0 111.307 -178.487 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.77 -46.99 42.67 Favored Glycine 0 N--CA 1.491 2.35 0 N-CA-C 109.215 -1.554 . . . . 0.0 109.215 -179.495 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.509 ' O ' ' N ' ' A' ' 9' ' ' GLN . 81.9 mt -59.96 -37.56 72.8 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.679 0 O-C-N 121.411 -1.052 . . . . 0.0 109.744 179.876 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 50.6 t0 -55.44 -47.13 76.48 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 120.852 -1.155 . . . . 0.0 108.709 -179.44 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -68.06 -45.07 74.88 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.236 -0.915 . . . . 0.0 109.53 179.076 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.83 -36.26 81.94 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.521 -0.737 . . . . 0.0 109.828 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.509 ' N ' ' O ' ' A' ' 5' ' ' ILE . 62.5 tt0 -58.08 -39.84 79.55 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.244 -0.91 . . . . 0.0 109.108 -179.735 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -60.87 -43.81 97.89 Favored 'General case' 0 C--N 1.303 -1.454 0 C-N-CA 119.273 -0.971 . . . . 0.0 108.7 179.164 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.5 tm-20 -61.13 -40.65 94.59 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.309 -0.869 . . . . 0.0 108.899 179.022 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.534 ' O ' ' N ' ' A' ' 16' ' ' HIS . 14.0 t60 -60.49 -44.76 95.62 Favored 'General case' 0 C--N 1.305 -1.334 0 O-C-N 121.246 -0.909 . . . . 0.0 109.595 179.488 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -60.63 -44.89 95.84 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.212 -0.93 . . . . 0.0 110.725 -179.343 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt -60.28 -37.46 80.55 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.388 -0.82 . . . . 0.0 112.557 -178.416 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -133.68 -4.78 2.88 Favored 'General case' 0 N--CA 1.506 2.368 0 O-C-N 120.829 -1.169 . . . . 0.0 113.119 -176.376 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.534 ' N ' ' O ' ' A' ' 12' ' ' HIS . 91.6 m-70 54.72 41.12 32.16 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 120.482 -1.386 . . . . 0.0 107.458 -177.527 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 93.6 p -62.83 156.74 23.21 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.699 -0.626 . . . . 0.0 110.634 -178.441 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 70.4 m-20 -72.95 158.61 35.13 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.47 -0.769 . . . . 0.0 109.354 179.893 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 33.2 p-90 -56.85 -29.89 63.29 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.025 -1.047 . . . . 0.0 110.597 -179.614 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 60.2 mtt-85 -62.48 -39.88 94.87 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 120.99 -1.069 . . . . 0.0 109.637 179.336 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.77 -48.63 63.19 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.138 -0.976 . . . . 0.0 109.477 -179.742 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 77.3 mtm -61.28 -39.88 92.07 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.092 -1.005 . . . . 0.0 109.586 179.607 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.464 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -58.29 -47.6 83.13 Favored 'General case' 0 N--CA 1.488 1.475 0 C-N-CA 119.573 -0.851 . . . . 0.0 109.044 179.877 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 39.2 t -70.37 -37.06 74.51 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.174 -0.954 . . . . 0.0 110.577 179.681 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -60.3 -39.99 88.91 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.131 -0.981 . . . . 0.0 110.655 -178.633 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -111.25 -0.43 16.44 Favored 'General case' 0 N--CA 1.504 2.238 0 O-C-N 121.406 -0.809 . . . . 0.0 110.195 -179.747 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.464 ' N ' ' O ' ' A' ' 23' ' ' ALA . 6.8 m-20 57.42 50.08 11.91 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.517 -0.74 . . . . 0.0 109.511 179.741 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 79.2 mt -114.04 152.41 45.75 Favored Pre-proline 0 N--CA 1.496 1.86 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 179.483 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_endo -58.43 159.68 18.98 Favored 'Trans proline' 0 C--N 1.315 -1.211 0 C-N-CA 121.448 1.432 . . . . 0.0 110.606 179.386 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_endo -55.69 -31.03 78.21 Favored 'Trans proline' 0 C--N 1.298 -2.105 0 C-N-CA 122.46 2.107 . . . . 0.0 112.29 -179.79 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 93.6 t -58.57 -48.42 85.62 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.603 0 O-C-N 121.337 -0.852 . . . . 0.0 110.384 -178.782 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 63.3 t -66.36 -47.56 83.71 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.966 0 C-N-CA 118.65 -1.22 . . . . 0.0 109.484 -178.619 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.96 -47.99 72.78 Favored 'General case' 0 C--N 1.298 -1.659 0 C-N-CA 119.569 -0.852 . . . . 0.0 110.143 179.919 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 53.1 mtpt -61.12 -34.5 75.07 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 120.762 -1.211 . . . . 0.0 110.559 -179.704 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.6 tm-20 -62.23 -38.7 90.24 Favored 'General case' 0 C--N 1.307 -1.267 0 O-C-N 120.938 -1.101 . . . . 0.0 109.931 -179.124 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 79.2 mt -59.75 -40.39 82.35 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 O-C-N 120.948 -1.095 . . . . 0.0 108.957 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 97.6 t -61.52 -38.44 80.16 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.608 0 O-C-N 121.31 -0.869 . . . . 0.0 109.112 178.774 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.33 -31.92 70.75 Favored 'General case' 0 C--N 1.307 -1.276 0 O-C-N 121.437 -0.789 . . . . 0.0 109.172 179.634 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 22.8 m -78.64 -28.5 45.48 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.476 -0.765 . . . . 0.0 110.372 -179.218 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 46.8 t -81.82 102.46 10.84 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.356 -0.84 . . . . 0.0 109.538 -179.777 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -60.06 -30.88 69.49 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.234 -0.916 . . . . 0.0 110.315 -179.165 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 57.1 mtpt -69.94 -40.12 75.66 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.083 -1.011 . . . . 0.0 110.703 -178.501 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 66.9 m -85.48 -18.27 34.04 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.851 -1.156 . . . . 0.0 109.336 179.349 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 30.6 tt0 . . . . . 0 N--CA 1.49 1.565 0 O-C-N 121.129 -0.982 . . . . 0.0 109.085 -179.411 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 . . . . . 0 N--CA 1.495 1.815 0 CA-C-O 121.769 0.795 . . . . 0.0 109.72 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 15.1 mt -71.93 -39.82 69.19 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.5 -0.75 . . . . 0.0 110.693 -178.77 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -66.32 -43.5 86.0 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.094 -1.004 . . . . 0.0 111.71 -178.516 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.82 -46.78 43.56 Favored Glycine 0 N--CA 1.492 2.406 0 N-CA-C 109.242 -1.543 . . . . 0.0 109.242 -179.517 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . 0.422 ' O ' ' N ' ' B' ' 9' ' ' GLN . 83.7 mt -59.85 -38.02 74.38 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.636 0 O-C-N 121.461 -1.023 . . . . 0.0 109.751 179.712 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -54.83 -47.07 74.58 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 120.879 -1.138 . . . . 0.0 108.695 -179.685 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -68.58 -44.94 73.32 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.162 -0.961 . . . . 0.0 109.645 179.236 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.27 -35.75 80.15 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.507 -0.746 . . . . 0.0 109.661 -179.961 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . 0.422 ' N ' ' O ' ' B' ' 5' ' ' ILE . 61.8 tt0 -58.17 -40.73 82.18 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.079 -1.013 . . . . 0.0 108.584 -179.577 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -59.79 -43.89 94.19 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 119.134 -1.026 . . . . 0.0 108.866 179.24 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 12.9 tm-20 -61.14 -40.18 92.85 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.069 -1.019 . . . . 0.0 108.934 179.102 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 12' ' ' HIS . . . . . 0.551 ' O ' ' N ' ' B' ' 16' ' ' HIS . 14.6 t60 -61.04 -44.8 96.86 Favored 'General case' 0 N--CA 1.485 1.276 0 O-C-N 121.149 -0.97 . . . . 0.0 109.744 -179.905 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -60.72 -44.48 96.56 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.311 -0.868 . . . . 0.0 110.751 -179.321 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt -60.29 -38.43 83.58 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.311 -0.868 . . . . 0.0 112.668 -178.747 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 51.9 m-85 -132.33 -5.58 3.38 Favored 'General case' 0 N--CA 1.506 2.357 0 O-C-N 120.895 -1.128 . . . . 0.0 113.196 -176.185 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.551 ' N ' ' O ' ' B' ' 12' ' ' HIS . 91.5 m-70 54.94 40.47 32.02 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.508 -1.37 . . . . 0.0 107.366 -177.417 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 97.4 p -62.49 157.52 20.09 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.694 -0.629 . . . . 0.0 110.561 -178.78 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 72.2 m-20 -73.71 159.29 33.21 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.366 -0.834 . . . . 0.0 109.348 179.455 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 32.2 p-90 -57.51 -29.83 64.63 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.272 -0.893 . . . . 0.0 110.165 -179.209 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . 0.407 HH11 ' HG2' ' B' ' 20' ' ' ARG . 59.4 mtt-85 -62.25 -40.06 94.94 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.929 -1.107 . . . . 0.0 109.566 179.44 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.02 -48.73 62.23 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.232 -0.917 . . . . 0.0 109.428 -179.322 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 77.8 mtm -60.9 -39.97 91.35 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.354 -0.841 . . . . 0.0 109.574 179.358 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . 0.472 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -58.32 -47.98 81.98 Favored 'General case' 0 C--N 1.303 -1.425 0 C-N-CA 119.529 -0.869 . . . . 0.0 109.401 179.895 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 38.1 t -70.55 -36.57 73.73 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.278 -0.888 . . . . 0.0 110.146 179.725 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -60.49 -39.87 89.27 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.047 -1.033 . . . . 0.0 110.744 -178.679 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -111.11 -1.42 16.23 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.491 -0.756 . . . . 0.0 110.177 -179.773 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . 0.472 ' N ' ' O ' ' B' ' 23' ' ' ALA . 5.8 m-20 58.32 50.01 10.2 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.233 -0.917 . . . . 0.0 109.914 -179.961 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 81.3 mt -114.51 152.29 46.02 Favored Pre-proline 0 N--CA 1.5 2.029 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 179.68 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_endo -58.56 159.21 20.81 Favored 'Trans proline' 0 C--N 1.316 -1.183 0 C-N-CA 121.166 1.244 . . . . 0.0 110.627 179.215 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_endo -55.01 -31.76 75.97 Favored 'Trans proline' 0 C--N 1.3 -1.989 0 C-N-CA 122.27 1.98 . . . . 0.0 112.554 -179.654 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 83.7 t -57.96 -48.38 84.23 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.573 0 O-C-N 121.266 -0.896 . . . . 0.0 110.341 -178.724 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 63.9 t -66.57 -47.21 84.19 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.925 0 C-N-CA 118.219 -1.393 . . . . 0.0 109.656 -178.799 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.85 -48.13 72.64 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 121.246 -0.909 . . . . 0.0 109.957 179.925 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 51.4 mtpt -60.96 -34.93 75.51 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 120.932 -1.105 . . . . 0.0 110.615 -179.496 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 14.6 tm-20 -61.75 -39.08 90.33 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.232 -0.918 . . . . 0.0 110.0 -179.029 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 83.6 mt -59.95 -39.59 80.58 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 121.086 -1.009 . . . . 0.0 109.191 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 94.9 t -61.97 -38.76 81.5 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.604 0 O-C-N 121.166 -0.959 . . . . 0.0 108.668 178.947 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . 0.482 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -59.89 -31.44 69.8 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.347 -0.845 . . . . 0.0 109.286 179.608 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 19.0 m -79.94 -27.2 39.85 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.378 -0.827 . . . . 0.0 110.181 -179.171 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 47.3 t -82.69 102.81 11.75 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.089 -1.007 . . . . 0.0 109.21 179.918 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -60.35 -30.06 69.3 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.275 -0.891 . . . . 0.0 110.408 -179.438 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 57.0 mtpt -70.3 -40.74 74.05 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.341 -0.849 . . . . 0.0 110.673 -178.896 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 68.2 m -85.44 -17.95 35.06 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.83 -1.169 . . . . 0.0 109.163 179.567 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . 0.482 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 27.6 tt0 . . . . . 0 C--N 1.302 -1.481 0 O-C-N 121.009 -1.057 . . . . 0.0 109.303 -179.497 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 66.8 m-85 . . . . . 0 N--CA 1.492 1.672 0 CA-C-O 121.518 0.675 . . . . 0.0 109.448 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 18.7 mt -72.51 -23.03 60.95 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.548 -0.72 . . . . 0.0 111.048 -178.716 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 55.3 t0 -68.07 -64.3 0.89 Allowed 'General case' 0 N--CA 1.497 1.916 0 O-C-N 120.834 -1.166 . . . . 0.0 111.358 -178.427 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.44 -40.87 99.63 Favored Glycine 0 N--CA 1.493 2.449 0 N-CA-C 109.853 -1.299 . . . . 0.0 109.853 -178.965 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.442 ' O ' ' N ' ' A' ' 9' ' ' GLN . 96.4 mt -59.59 -40.25 81.6 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.124 -1.221 . . . . 0.0 110.342 -179.748 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 58.2 t0 -55.37 -48.49 74.21 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 120.841 -1.162 . . . . 0.0 108.537 -179.972 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 30.5 ttmt -67.97 -43.31 79.29 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.172 -0.955 . . . . 0.0 109.192 178.907 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.58 -35.85 81.88 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.217 -0.927 . . . . 0.0 109.094 179.631 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 5' ' ' ILE . 0.9 OUTLIER -56.81 -40.9 76.83 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.273 -0.892 . . . . 0.0 109.221 -179.642 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 44.6 tp10 -60.36 -41.84 94.53 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.062 -1.024 . . . . 0.0 108.884 179.177 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.3 tm-20 -59.92 -41.54 91.94 Favored 'General case' 0 N--CA 1.491 1.585 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 179.241 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.565 ' O ' ' N ' ' A' ' 16' ' ' HIS . 14.9 t60 -60.68 -46.05 91.83 Favored 'General case' 0 C--N 1.303 -1.415 0 C-N-CA 119.766 -0.774 . . . . 0.0 109.392 179.722 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 24.6 tp10 -60.84 -42.44 97.78 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 121.185 -0.947 . . . . 0.0 110.307 -179.147 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.2 mtpp -62.94 -30.5 71.61 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.544 -0.723 . . . . 0.0 112.77 -178.409 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 48.6 m-85 -138.12 -6.3 1.62 Allowed 'General case' 0 N--CA 1.506 2.328 0 O-C-N 120.75 -1.219 . . . . 0.0 112.271 -177.036 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.565 ' N ' ' O ' ' A' ' 12' ' ' HIS . 84.2 m-70 53.27 41.81 32.12 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.45 -1.406 . . . . 0.0 107.357 -177.996 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 88.9 p -65.18 157.0 29.94 Favored 'General case' 0 C--N 1.302 -1.461 0 CA-C-O 121.543 0.687 . . . . 0.0 110.786 -178.533 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -73.47 156.5 38.15 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.612 -0.68 . . . . 0.0 109.712 179.897 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 46.7 p-90 -54.61 -29.78 52.83 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.311 -0.868 . . . . 0.0 109.836 -179.945 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 83.0 mtm180 -62.16 -40.99 97.84 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.959 -1.088 . . . . 0.0 109.762 -179.842 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.18 -48.46 57.15 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.376 -0.827 . . . . 0.0 109.401 -179.9 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 78.6 mtm -60.98 -39.84 91.15 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.311 -0.868 . . . . 0.0 109.375 179.87 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.461 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -58.21 -49.45 77.01 Favored 'General case' 0 C--N 1.303 -1.423 0 C-N-CA 119.365 -0.934 . . . . 0.0 109.111 179.571 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 44.7 t -69.7 -35.35 75.0 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.337 -0.852 . . . . 0.0 110.058 179.618 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 58.4 t0 -59.96 -40.78 90.19 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.272 -0.892 . . . . 0.0 110.552 -179.158 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -112.08 2.42 16.78 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.448 -0.783 . . . . 0.0 110.384 -179.98 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.461 ' N ' ' O ' ' A' ' 23' ' ' ALA . 15.3 m120 56.86 47.85 17.12 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.213 -0.929 . . . . 0.0 109.982 179.268 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 64.9 mt -113.19 152.9 45.47 Favored Pre-proline 0 N--CA 1.498 1.936 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 179.703 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -62.06 147.88 94.24 Favored 'Trans proline' 0 N--CA 1.492 1.431 0 C-N-CA 121.595 1.53 . . . . 0.0 111.446 179.629 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.483 ' O ' ' N ' ' A' ' 34' ' ' LYS . 38.4 Cg_exo -41.51 -37.04 3.27 Favored 'Trans proline' 0 C--N 1.314 -1.262 0 C-N-CA 122.065 1.844 . . . . 0.0 111.973 -179.965 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 42.3 t -52.95 -50.2 45.27 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.869 0 O-C-N 121.329 -0.857 . . . . 0.0 110.528 -178.469 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 98.7 t -66.9 -46.77 84.32 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.818 0 C-N-CA 118.688 -1.205 . . . . 0.0 109.611 -179.156 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.68 -42.11 82.62 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.382 -0.824 . . . . 0.0 109.912 -179.863 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.483 ' N ' ' O ' ' A' ' 30' ' ' PRO . 3.2 mmmm -60.65 -37.96 83.23 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.068 -1.02 . . . . 0.0 109.848 -179.855 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.3 tm-20 -62.22 -39.76 93.86 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.189 -0.944 . . . . 0.0 110.748 -178.53 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 61.9 mt -60.31 -39.62 81.42 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 O-C-N 120.772 -1.205 . . . . 0.0 108.28 179.733 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 55.4 t -64.77 -39.6 86.19 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 121.265 -0.897 . . . . 0.0 108.988 178.971 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.401 ' O ' ' OE1' ' A' ' 44' ' ' GLN . . . -62.1 -34.16 75.8 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.45 -0.781 . . . . 0.0 109.276 179.664 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 58.1 m -77.32 -26.18 51.89 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.137 -0.977 . . . . 0.0 110.14 -179.09 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 35.3 t -81.32 104.76 12.0 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.996 -1.065 . . . . 0.0 108.731 179.532 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -60.32 -30.09 69.29 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.48 -0.762 . . . . 0.0 110.525 -178.94 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -70.42 -41.09 73.39 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.143 -0.973 . . . . 0.0 110.048 -179.173 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 87.3 m -87.61 -27.31 22.59 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 120.958 -1.089 . . . . 0.0 109.664 179.891 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.401 ' OE1' ' O ' ' A' ' 38' ' ' ALA . 15.9 tt0 . . . . . 0 N--CA 1.489 1.511 0 O-C-N 121.439 -0.788 . . . . 0.0 109.185 -179.484 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 121.455 0.645 . . . . 0.0 109.44 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 20.1 mt -72.62 -22.53 60.94 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.582 -0.699 . . . . 0.0 111.099 -178.63 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -68.14 -64.8 0.79 Allowed 'General case' 0 N--CA 1.497 1.911 0 O-C-N 120.91 -1.119 . . . . 0.0 111.288 -178.43 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.3 -40.55 99.17 Favored Glycine 0 N--CA 1.493 2.464 0 N-CA-C 110.151 -1.179 . . . . 0.0 110.151 -178.984 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . 0.419 ' O ' ' N ' ' B' ' 9' ' ' GLN . 96.1 mt -59.94 -40.02 81.78 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.485 0 O-C-N 121.253 -1.146 . . . . 0.0 110.09 -179.594 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 58.5 t0 -55.5 -48.45 74.6 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.008 -1.058 . . . . 0.0 108.249 -179.82 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 29.8 ttmt -67.99 -43.39 79.01 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.248 -0.908 . . . . 0.0 109.066 179.02 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.68 -35.49 80.73 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.307 -0.87 . . . . 0.0 109.304 179.655 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . 0.419 ' N ' ' O ' ' B' ' 5' ' ' ILE . 0.9 OUTLIER -57.14 -40.7 77.69 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.299 -0.875 . . . . 0.0 109.212 -179.554 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 45.0 tp10 -60.22 -41.9 94.05 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.161 -0.962 . . . . 0.0 108.67 178.945 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 13.1 tm-20 -60.25 -41.33 92.97 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.345 -0.847 . . . . 0.0 109.007 179.051 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 12' ' ' HIS . . . . . 0.584 ' O ' ' N ' ' B' ' 16' ' ' HIS . 14.6 t60 -60.79 -45.57 93.85 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.209 -0.932 . . . . 0.0 109.655 179.586 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 23.9 tp10 -61.04 -42.85 99.26 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.04 -1.038 . . . . 0.0 110.336 -179.182 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp -62.57 -30.54 71.39 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.479 -0.763 . . . . 0.0 112.894 -178.677 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 49.3 m-85 -137.75 -6.54 1.69 Allowed 'General case' 0 N--CA 1.505 2.288 0 O-C-N 120.734 -1.228 . . . . 0.0 112.333 -176.905 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.584 ' N ' ' O ' ' B' ' 12' ' ' HIS . 82.1 m-70 52.89 42.74 32.09 Favored 'General case' 0 N--CA 1.495 1.788 0 N-CA-C 107.374 -1.343 . . . . 0.0 107.374 -177.953 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 93.6 p -65.97 157.32 31.1 Favored 'General case' 0 C--N 1.301 -1.516 0 CA-C-O 121.599 0.714 . . . . 0.0 110.485 -178.099 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -73.94 156.72 37.32 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.48 -0.763 . . . . 0.0 109.446 179.674 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 46.7 p-90 -54.87 -30.07 56.99 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.36 -0.838 . . . . 0.0 109.704 -179.724 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 82.9 mtm180 -61.9 -40.79 96.65 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.92 -1.112 . . . . 0.0 109.983 -179.865 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.93 -49.01 56.23 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.28 -0.888 . . . . 0.0 109.323 179.808 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 78.2 mtm -60.5 -40.19 90.48 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.24 -0.912 . . . . 0.0 109.573 179.886 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . 0.464 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -58.32 -48.89 79.09 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.261 -0.899 . . . . 0.0 109.101 -179.972 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 45.3 t -70.25 -35.1 73.57 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.351 -0.843 . . . . 0.0 109.879 179.667 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 57.9 t0 -60.25 -40.6 90.84 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.278 -0.889 . . . . 0.0 110.51 -179.305 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -112.09 2.32 16.72 Favored 'General case' 0 N--CA 1.502 2.142 0 O-C-N 121.39 -0.819 . . . . 0.0 110.271 -179.878 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . 0.464 ' N ' ' O ' ' B' ' 23' ' ' ALA . 14.6 m120 56.84 47.18 18.44 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.344 -0.847 . . . . 0.0 110.266 179.505 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 66.0 mt -112.84 152.33 44.74 Favored Pre-proline 0 N--CA 1.5 2.044 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 179.886 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -61.61 148.45 92.99 Favored 'Trans proline' 0 N--CA 1.49 1.31 0 C-N-CA 121.434 1.423 . . . . 0.0 111.538 179.974 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 30' ' ' PRO . . . . . 0.489 ' O ' ' N ' ' B' ' 34' ' ' LYS . 34.4 Cg_exo -42.18 -36.7 4.24 Favored 'Trans proline' 0 C--N 1.315 -1.216 0 C-N-CA 122.091 1.861 . . . . 0.0 111.601 179.851 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 40.5 t -53.17 -50.09 48.0 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.721 0 O-C-N 121.141 -0.974 . . . . 0.0 110.579 -178.656 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 89.8 t -66.87 -47.11 83.54 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.662 0 C-N-CA 118.649 -1.22 . . . . 0.0 109.57 -179.228 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.19 -42.59 83.94 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.568 -0.707 . . . . 0.0 110.261 179.967 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.489 ' N ' ' O ' ' B' ' 30' ' ' PRO . 3.2 mmmm -60.43 -37.43 80.86 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.07 -1.019 . . . . 0.0 109.874 -179.818 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 -62.46 -40.11 95.58 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.202 -0.936 . . . . 0.0 110.53 -178.596 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 61.6 mt -59.94 -40.17 82.19 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 O-C-N 120.647 -1.283 . . . . 0.0 108.102 179.821 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 60.2 t -64.13 -40.38 88.86 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 O-C-N 121.138 -0.976 . . . . 0.0 108.841 179.469 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . 0.548 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -61.22 -33.88 74.21 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.521 -0.737 . . . . 0.0 109.346 179.873 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 57.9 m -77.33 -26.83 52.49 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.212 -0.93 . . . . 0.0 110.043 -178.714 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 31.2 t -81.39 105.0 12.22 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.155 -0.965 . . . . 0.0 108.975 179.623 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -60.31 -30.07 69.25 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.577 -0.702 . . . . 0.0 110.73 -178.687 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -70.44 -41.26 73.09 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 120.917 -1.114 . . . . 0.0 110.203 -179.203 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 86.0 m -87.02 -27.49 23.18 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.187 -0.946 . . . . 0.0 109.63 179.465 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . 0.548 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 51.2 tt0 . . . . . 0 N--CA 1.492 1.667 0 O-C-N 121.095 -1.003 . . . . 0.0 109.211 -179.588 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . 0.441 ' CE2' ' CE2' ' B' ' 1' ' ' PHE . 43.1 m-85 . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 121.359 0.6 . . . . 0.0 109.481 . . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 73.0 mt -68.96 -38.0 79.14 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.272 -0.892 . . . . 0.0 111.247 -178.743 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 62.6 t0 -60.99 -50.31 73.91 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 120.593 -1.317 . . . . 0.0 111.468 -178.54 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.36 -43.65 92.23 Favored Glycine 0 N--CA 1.49 2.259 0 N-CA-C 109.314 -1.514 . . . . 0.0 109.314 -179.438 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 88.1 mt -60.04 -38.58 77.35 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.499 0 O-C-N 121.616 -0.932 . . . . 0.0 110.892 -179.798 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -56.72 -47.24 80.42 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 120.505 -1.372 . . . . 0.0 108.8 -179.51 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.9 mtpp -69.15 -40.48 78.17 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.043 -1.035 . . . . 0.0 109.08 179.119 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.99 -38.05 85.33 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 119.764 -0.774 . . . . 0.0 109.565 179.843 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -55.48 -40.42 71.67 Favored 'General case' 0 C--N 1.297 -1.677 0 C-N-CA 119.676 -0.809 . . . . 0.0 109.115 -179.547 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -63.51 -43.58 96.78 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.912 -1.118 . . . . 0.0 109.557 179.079 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.0 tm-20 -60.08 -44.93 94.42 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.126 -0.983 . . . . 0.0 109.245 -179.888 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.567 ' O ' ' N ' ' A' ' 16' ' ' HIS . 15.8 t60 -61.19 -45.23 95.45 Favored 'General case' 0 C--N 1.3 -1.563 0 C-N-CA 119.191 -1.004 . . . . 0.0 109.726 179.958 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 15.0 tm-20 -61.12 -40.25 93.06 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 120.937 -1.102 . . . . 0.0 110.317 -178.94 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -65.0 -38.97 92.73 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.264 -0.897 . . . . 0.0 112.609 -178.954 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -129.98 -3.63 4.56 Favored 'General case' 0 N--CA 1.511 2.595 0 O-C-N 120.987 -1.071 . . . . 0.0 112.45 -176.488 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.567 ' N ' ' O ' ' A' ' 12' ' ' HIS . 93.1 m-70 53.85 40.36 31.45 Favored 'General case' 0 N--CA 1.497 1.916 0 N-CA-C 107.586 -1.264 . . . . 0.0 107.586 -178.114 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.5 p -59.72 154.76 17.3 Favored 'General case' 0 N--CA 1.489 1.476 0 CA-C-O 121.263 0.554 . . . . 0.0 110.475 -178.782 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -72.65 149.61 43.72 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.211 -0.931 . . . . 0.0 108.984 179.661 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 47.5 p-90 -51.22 -30.24 16.69 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 120.831 -1.168 . . . . 0.0 110.234 -179.273 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 63.1 mtp180 -63.3 -43.62 97.33 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.906 -1.121 . . . . 0.0 110.437 179.591 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.45 -46.43 66.72 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.685 -1.259 . . . . 0.0 108.446 179.901 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 22.0 mtp -60.59 -45.43 94.0 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.634 -0.667 . . . . 0.0 109.587 179.896 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.53 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -58.69 -43.04 89.87 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.301 -0.874 . . . . 0.0 109.08 179.547 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 31.2 m -70.2 -38.42 75.32 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.444 -0.785 . . . . 0.0 109.579 179.71 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 61.4 t0 -59.58 -42.21 91.99 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.202 -0.936 . . . . 0.0 110.215 -179.227 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -106.64 -2.41 21.76 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.463 -0.773 . . . . 0.0 109.561 179.894 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.53 ' N ' ' O ' ' A' ' 23' ' ' ALA . 11.8 t-20 56.52 50.04 13.68 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.499 -0.75 . . . . 0.0 109.584 179.186 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 68.2 mt -115.54 146.21 36.16 Favored Pre-proline 0 N--CA 1.5 2.033 0 O-C-N 121.609 -0.682 . . . . 0.0 109.385 179.789 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_exo -45.54 144.66 4.81 Favored 'Trans proline' 0 N--CA 1.489 1.217 0 C-N-CA 121.781 1.654 . . . . 0.0 111.585 178.927 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -44.57 -37.16 10.84 Favored 'Trans proline' 0 C--N 1.312 -1.376 0 C-N-CA 121.694 1.596 . . . . 0.0 111.729 178.986 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 48.4 t -53.73 -50.18 52.94 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.801 0 C-N-CA 120.148 -0.621 . . . . 0.0 110.086 -178.262 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 51.5 t -63.36 -50.36 79.07 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.806 0 C-N-CA 118.615 -1.234 . . . . 0.0 109.803 -178.616 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.92 -43.02 89.35 Favored 'General case' 0 N--CA 1.489 1.511 0 C-N-CA 119.079 -1.049 . . . . 0.0 109.597 179.562 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 23.8 mtpp -62.13 -37.91 86.97 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.863 -1.148 . . . . 0.0 110.415 -179.811 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.4 tm-20 -61.52 -39.87 92.57 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.016 -1.053 . . . . 0.0 110.731 -178.934 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 82.0 mt -59.71 -39.64 80.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 120.708 -1.245 . . . . 0.0 107.929 179.568 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 92.2 t -60.64 -39.95 83.15 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.231 -0.918 . . . . 0.0 108.728 178.687 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.404 ' O ' ' OE1' ' A' ' 44' ' ' GLN . . . -60.66 -31.57 70.79 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.171 -0.956 . . . . 0.0 108.661 178.714 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 63.2 m -75.55 -30.4 59.7 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.33 -0.856 . . . . 0.0 109.187 179.775 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 44.9 t -81.05 98.77 8.13 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.369 -0.832 . . . . 0.0 109.601 179.772 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -59.94 -28.87 67.99 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.547 -0.72 . . . . 0.0 110.589 -179.355 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 59.4 mttp -68.42 -38.13 80.93 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 120.843 -1.16 . . . . 0.0 110.058 -178.517 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 55.1 m -86.48 -34.79 19.95 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.386 -0.821 . . . . 0.0 110.89 -179.836 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.586 ' NE2' ' OE1' ' B' ' 44' ' ' GLN . 53.0 tt0 . . . . . 0 N--CA 1.499 2.011 0 O-C-N 121.359 -0.838 . . . . 0.0 111.666 -177.831 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . 0.441 ' CE2' ' CE2' ' A' ' 1' ' ' PHE . 34.7 m-85 . . . . . 0 N--CA 1.494 1.731 0 CA-C-O 121.384 0.612 . . . . 0.0 109.566 . . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 69.3 mt -70.64 -37.4 73.75 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.194 -0.941 . . . . 0.0 111.339 -178.672 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -60.37 -51.71 68.35 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 120.904 -1.123 . . . . 0.0 111.019 -178.218 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.46 -42.4 93.77 Favored Glycine 0 N--CA 1.49 2.25 0 C-N-CA 119.307 -1.425 . . . . 0.0 109.675 -179.402 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . 0.407 ' O ' ' N ' ' B' ' 9' ' ' GLN . 83.8 mt -60.29 -39.43 80.8 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.523 0 O-C-N 121.57 -0.959 . . . . 0.0 110.356 -179.74 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 62.0 t0 -55.67 -46.99 77.48 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 120.737 -1.227 . . . . 0.0 109.306 -179.314 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -69.59 -40.22 76.82 Favored 'General case' 0 N--CA 1.492 1.628 0 C-N-CA 119.155 -1.018 . . . . 0.0 109.093 178.908 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.11 -38.09 85.03 Favored 'General case' 0 C--N 1.304 -1.401 0 C-N-CA 120.062 -0.655 . . . . 0.0 109.437 -179.939 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . 0.407 ' N ' ' O ' ' B' ' 5' ' ' ILE . 61.2 tt0 -56.0 -40.72 73.77 Favored 'General case' 0 C--N 1.306 -1.303 0 C-N-CA 119.707 -0.797 . . . . 0.0 108.992 -179.465 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -62.76 -43.62 98.33 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.208 -0.933 . . . . 0.0 109.664 178.931 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 13.6 tm-20 -61.08 -44.67 97.01 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.345 -0.847 . . . . 0.0 109.178 -179.643 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 12' ' ' HIS . . . . . 0.562 ' O ' ' N ' ' B' ' 16' ' ' HIS . 14.6 t60 -60.92 -45.18 95.68 Favored 'General case' 0 C--N 1.298 -1.648 0 C-N-CA 119.323 -0.951 . . . . 0.0 109.231 179.807 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 13.9 tm-20 -60.86 -41.53 96.1 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.19 -0.944 . . . . 0.0 110.081 -178.914 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 26.3 mtpp -64.04 -37.65 88.2 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.167 -0.958 . . . . 0.0 112.505 -178.739 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 46.5 m-85 -131.29 -4.6 3.83 Favored 'General case' 0 N--CA 1.508 2.464 0 O-C-N 120.719 -1.238 . . . . 0.0 112.486 -176.233 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.562 ' N ' ' O ' ' B' ' 12' ' ' HIS . 92.9 m-70 54.77 41.5 31.87 Favored 'General case' 0 N--CA 1.493 1.705 0 N-CA-C 107.468 -1.308 . . . . 0.0 107.468 -177.969 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 8.4 p -60.94 155.12 20.63 Favored 'General case' 0 N--CA 1.488 1.45 0 CA-C-O 121.191 0.52 . . . . 0.0 110.441 -179.036 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -73.31 149.95 42.28 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.299 -0.876 . . . . 0.0 108.849 179.432 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 44.5 p-90 -51.21 -30.14 16.32 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.077 -1.014 . . . . 0.0 110.493 -178.963 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 62.4 mtp180 -63.25 -43.35 98.27 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.692 -1.255 . . . . 0.0 110.516 179.849 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.17 -47.42 64.98 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 120.942 -1.099 . . . . 0.0 108.372 -179.907 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 26.1 mtp -59.5 -44.73 93.03 Favored 'General case' 0 C--N 1.293 -1.865 0 CA-C-O 121.502 0.668 . . . . 0.0 110.146 179.2 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . 0.532 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -59.71 -42.55 93.3 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.088 -1.007 . . . . 0.0 109.16 179.529 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 47.2 m -70.46 -38.48 74.46 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.293 -0.879 . . . . 0.0 109.913 179.514 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -59.7 -42.27 92.64 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.393 -0.817 . . . . 0.0 110.015 -179.21 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -106.06 -3.05 22.02 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 121.393 -0.817 . . . . 0.0 109.653 179.793 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . 0.532 ' N ' ' O ' ' B' ' 23' ' ' ALA . 15.4 t-20 57.41 49.84 12.33 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.584 -0.698 . . . . 0.0 110.048 179.594 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 65.3 mt -115.15 148.11 39.93 Favored Pre-proline 0 N--CA 1.503 2.195 0 O-C-N 121.314 -0.866 . . . . 0.0 109.812 -179.986 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -47.14 145.4 7.69 Favored 'Trans proline' 0 N--CA 1.488 1.189 0 C-N-CA 121.648 1.566 . . . . 0.0 111.676 178.475 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -44.96 -37.51 12.41 Favored 'Trans proline' 0 N--CA 1.488 1.179 0 C-N-CA 121.906 1.737 . . . . 0.0 111.541 179.237 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 47.2 t -53.63 -49.88 53.68 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.814 0 O-C-N 121.684 -0.635 . . . . 0.0 110.664 -178.628 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 61.2 t -63.44 -50.0 80.39 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.749 0 C-N-CA 118.441 -1.303 . . . . 0.0 109.747 -178.758 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.41 -43.09 86.71 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 120.94 -1.1 . . . . 0.0 109.876 179.661 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 23.8 mtpp -62.19 -37.82 86.77 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.972 -1.08 . . . . 0.0 110.253 179.871 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.1 tm-20 -61.65 -39.72 92.35 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.873 -1.142 . . . . 0.0 110.637 -179.025 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 78.2 mt -60.05 -38.9 78.69 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 120.854 -1.154 . . . . 0.0 108.034 179.55 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 85.4 t -61.6 -40.18 85.71 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.478 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 179.089 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . 0.547 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -60.5 -30.55 69.79 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.241 -0.912 . . . . 0.0 108.857 178.717 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 49.8 m -76.52 -29.63 56.83 Favored 'General case' 0 C--N 1.302 -1.486 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 179.933 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 44.4 t -81.6 98.54 8.39 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.467 -0.771 . . . . 0.0 109.223 179.764 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -59.58 -29.45 67.96 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.366 -0.834 . . . . 0.0 110.185 -179.644 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 58.6 mttp -68.2 -38.01 81.52 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.25 -0.907 . . . . 0.0 110.302 -178.457 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 54.9 m -86.75 -33.72 19.87 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 120.991 -1.068 . . . . 0.0 110.847 -179.496 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . 0.586 ' OE1' ' NE2' ' A' ' 44' ' ' GLN . 6.5 tt0 . . . . . 0 N--CA 1.5 2.071 0 O-C-N 121.165 -0.96 . . . . 0.0 111.595 -177.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 . . . . . 0 N--CA 1.488 1.435 0 CA-C-O 121.624 0.726 . . . . 0.0 109.523 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 25.2 mt -72.53 -35.58 68.09 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.548 -0.72 . . . . 0.0 111.669 -178.414 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 61.3 t0 -66.34 -50.7 62.68 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 120.723 -1.235 . . . . 0.0 111.558 -178.478 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.19 -45.59 79.62 Favored Glycine 0 N--CA 1.489 2.188 0 N-CA-C 109.536 -1.426 . . . . 0.0 109.536 -179.035 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.409 ' O ' ' N ' ' A' ' 9' ' ' GLN . 89.7 mt -59.54 -39.96 80.72 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.575 0 O-C-N 121.692 -0.887 . . . . 0.0 110.267 179.903 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -54.65 -46.33 73.97 Favored 'General case' 0 C--N 1.297 -1.678 0 C-N-CA 119.173 -1.011 . . . . 0.0 109.235 -179.496 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -69.93 -41.78 74.16 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.782 -1.199 . . . . 0.0 109.187 178.791 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.36 -35.77 80.03 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.391 -0.818 . . . . 0.0 109.593 179.912 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.409 ' N ' ' O ' ' A' ' 5' ' ' ILE . 59.8 tt0 -59.06 -41.29 87.56 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.281 -0.887 . . . . 0.0 109.655 -179.361 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -60.89 -40.41 92.92 Favored 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 118.743 -1.183 . . . . 0.0 108.748 179.433 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.9 tm-20 -61.19 -40.67 94.79 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.136 -0.978 . . . . 0.0 109.03 179.047 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.545 ' O ' ' N ' ' A' ' 16' ' ' HIS . 16.4 t60 -60.88 -48.17 83.03 Favored 'General case' 0 C--N 1.305 -1.334 0 C-N-CA 119.362 -0.935 . . . . 0.0 109.182 179.277 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -60.25 -40.09 89.07 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.121 -0.987 . . . . 0.0 110.04 -179.55 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt -64.05 -35.08 79.54 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.122 -0.986 . . . . 0.0 112.603 -179.48 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 51.7 m-85 -136.01 -3.75 2.23 Favored 'General case' 0 N--CA 1.511 2.59 0 O-C-N 120.535 -1.353 . . . . 0.0 113.026 -176.908 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.545 ' N ' ' O ' ' A' ' 12' ' ' HIS . 87.8 m-70 53.7 42.68 31.77 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.571 -1.33 . . . . 0.0 107.455 -178.284 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 88.3 p -67.72 156.43 36.98 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.501 -0.75 . . . . 0.0 110.618 -178.393 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -72.74 160.28 32.46 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.517 -0.739 . . . . 0.0 109.03 179.608 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 41.0 p-90 -58.64 -30.75 67.54 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.293 -0.879 . . . . 0.0 110.658 -178.906 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -62.52 -39.97 95.26 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 120.762 -1.211 . . . . 0.0 109.987 179.984 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.85 -49.06 61.53 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 121.251 -0.906 . . . . 0.0 109.594 -179.566 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 77.9 mtm -60.59 -40.06 90.37 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.991 -1.068 . . . . 0.0 109.434 179.717 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.515 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -56.64 -45.65 81.47 Favored 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 119.507 -0.877 . . . . 0.0 109.351 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 15.2 t -69.42 -37.57 77.5 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.288 -0.883 . . . . 0.0 110.345 179.908 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -60.57 -39.63 88.71 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.305 -0.872 . . . . 0.0 110.719 -179.056 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -112.23 -0.49 15.48 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.376 -0.828 . . . . 0.0 109.665 -179.628 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.515 ' N ' ' O ' ' A' ' 23' ' ' ALA . 91.8 m-20 54.84 49.15 18.49 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.64 -0.663 . . . . 0.0 109.614 179.655 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 85.9 mt -112.37 153.42 44.83 Favored Pre-proline 0 N--CA 1.496 1.829 0 N-CA-C 108.45 -0.945 . . . . 0.0 108.45 -179.937 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -60.55 150.62 80.59 Favored 'Trans proline' 0 N--CA 1.492 1.399 0 C-N-CA 121.427 1.418 . . . . 0.0 111.27 179.923 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.463 ' O ' ' CG ' ' A' ' 34' ' ' LYS . 23.7 Cg_exo -44.69 -33.69 7.28 Favored 'Trans proline' 0 C--N 1.311 -1.446 0 C-N-CA 121.939 1.759 . . . . 0.0 111.604 179.36 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 84.9 t -55.43 -49.05 76.02 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.655 0 O-C-N 121.294 -0.879 . . . . 0.0 110.532 -177.836 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 59.7 t -67.95 -47.5 78.78 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.749 0 C-N-CA 118.115 -1.434 . . . . 0.0 109.309 -179.067 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.99 -41.07 87.38 Favored 'General case' 0 C--N 1.301 -1.526 0 C-N-CA 119.654 -0.818 . . . . 0.0 110.278 -179.797 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.463 ' CG ' ' O ' ' A' ' 30' ' ' PRO . 13.6 mmmt -62.51 -39.51 93.77 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.067 -1.021 . . . . 0.0 109.593 179.899 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.7 tm-20 -60.54 -39.68 88.8 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.357 -0.839 . . . . 0.0 110.559 -178.919 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 47.9 mt -59.59 -39.82 80.44 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 120.728 -1.232 . . . . 0.0 108.674 -179.583 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 78.3 t -60.72 -39.72 82.59 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.179 -0.951 . . . . 0.0 108.622 179.27 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.2 -30.76 70.62 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.523 -0.735 . . . . 0.0 109.608 179.528 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.7 m -74.53 -33.43 62.77 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.413 -0.804 . . . . 0.0 109.066 -179.618 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 41.8 t -81.13 103.14 10.73 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.281 -0.887 . . . . 0.0 109.314 179.807 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -61.91 -29.93 70.55 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.245 -0.91 . . . . 0.0 109.94 -179.841 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 50.0 mtpt -68.78 -40.32 79.73 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.176 -0.953 . . . . 0.0 110.262 -178.647 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 80.1 m -84.89 -26.5 27.27 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.639 -1.288 . . . . 0.0 109.714 179.125 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 . . . . . 0 C--N 1.3 -1.556 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 179.395 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 . . . . . 0 N--CA 1.491 1.591 0 CA-C-O 121.665 0.745 . . . . 0.0 109.788 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 25.4 mt -74.09 -36.48 64.28 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.495 -0.753 . . . . 0.0 111.776 -178.116 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 54.6 t0 -66.12 -50.34 64.37 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 120.794 -1.192 . . . . 0.0 111.952 -178.129 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.13 -44.64 65.58 Favored Glycine 0 N--CA 1.486 2.019 0 N-CA-C 109.347 -1.501 . . . . 0.0 109.347 -178.821 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 91.7 mt -59.76 -38.7 77.2 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.691 0 O-C-N 121.563 -0.963 . . . . 0.0 110.045 179.758 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -55.78 -45.81 78.07 Favored 'General case' 0 C--N 1.301 -1.502 0 C-N-CA 118.901 -1.12 . . . . 0.0 109.029 -179.384 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -69.68 -42.7 73.78 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 120.869 -1.144 . . . . 0.0 109.323 178.951 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.87 -35.88 81.04 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.273 -0.892 . . . . 0.0 109.663 179.935 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -58.91 -40.62 85.06 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.309 -0.869 . . . . 0.0 109.656 -179.062 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -61.29 -39.83 91.88 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 120.884 -1.135 . . . . 0.0 108.575 178.952 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 14.9 tm-20 -62.05 -42.49 99.23 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.285 -0.885 . . . . 0.0 109.071 179.193 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 12' ' ' HIS . . . . . 0.524 ' O ' ' N ' ' B' ' 16' ' ' HIS . 14.7 t60 -60.01 -46.53 89.18 Favored 'General case' 0 C--N 1.303 -1.452 0 C-N-CA 119.193 -1.003 . . . . 0.0 108.989 179.762 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -60.55 -39.79 89.23 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.43 -0.794 . . . . 0.0 110.307 -179.911 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -66.03 -30.64 71.21 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.191 -0.943 . . . . 0.0 112.578 -178.902 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -139.4 -4.99 1.43 Allowed 'General case' 0 N--CA 1.508 2.441 0 O-C-N 120.469 -1.395 . . . . 0.0 112.82 -176.87 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.524 ' N ' ' O ' ' B' ' 12' ' ' HIS . 89.8 m-70 54.45 43.2 30.73 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.567 -1.333 . . . . 0.0 107.755 -177.914 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 77.6 p -68.17 155.08 40.38 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.609 -0.682 . . . . 0.0 110.645 -178.865 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 20.0 m120 -71.31 158.65 35.98 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.603 -0.685 . . . . 0.0 109.494 179.659 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 38.5 p-90 -56.96 -30.45 64.09 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.264 -0.897 . . . . 0.0 110.445 -179.256 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -63.68 -39.91 95.49 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.958 -1.089 . . . . 0.0 110.214 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.37 -47.79 63.21 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.227 -0.921 . . . . 0.0 109.639 -179.277 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 77.3 mtm -61.77 -39.94 93.4 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.136 -0.977 . . . . 0.0 109.372 179.391 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . 0.511 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -56.89 -44.84 82.71 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.432 -0.793 . . . . 0.0 109.11 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 12.6 t -69.97 -38.55 76.12 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.317 -0.864 . . . . 0.0 109.707 179.773 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -59.76 -37.36 78.79 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.394 -0.816 . . . . 0.0 111.029 -179.135 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -114.05 -1.94 13.62 Favored 'General case' 0 N--CA 1.5 2.06 0 O-C-N 121.171 -0.956 . . . . 0.0 109.771 -179.464 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . 0.511 ' N ' ' O ' ' B' ' 23' ' ' ALA . 89.5 m-20 55.48 48.13 19.54 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.619 -0.675 . . . . 0.0 109.347 179.886 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 82.8 mt -112.17 152.46 44.42 Favored Pre-proline 0 N--CA 1.499 1.975 0 N-CA-C 108.215 -1.031 . . . . 0.0 108.215 179.732 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -59.99 151.53 71.34 Favored 'Trans proline' 0 N--CA 1.494 1.528 0 C-N-CA 121.604 1.536 . . . . 0.0 111.788 179.677 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 30' ' ' PRO . . . . . 0.482 ' O ' ' CG ' ' B' ' 34' ' ' LYS . 24.2 Cg_exo -45.31 -33.38 8.67 Favored 'Trans proline' 0 C--N 1.31 -1.491 0 C-N-CA 122.052 1.834 . . . . 0.0 111.97 179.388 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 85.7 t -56.23 -49.49 76.06 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.614 0 C-N-CA 119.513 -0.875 . . . . 0.0 110.522 -177.802 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 57.4 t -67.74 -48.1 77.23 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.664 0 C-N-CA 118.432 -1.307 . . . . 0.0 109.424 -178.813 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.52 -41.08 89.35 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.284 -0.885 . . . . 0.0 110.045 179.93 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.482 ' CG ' ' O ' ' B' ' 30' ' ' PRO . 13.5 mmmt -62.04 -39.84 93.73 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 120.988 -1.07 . . . . 0.0 109.786 179.848 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 12.8 tm-20 -60.48 -38.96 85.97 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.152 -0.967 . . . . 0.0 110.821 -178.927 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 49.2 mt -60.17 -39.87 81.85 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 O-C-N 120.963 -1.086 . . . . 0.0 108.158 -179.641 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 73.7 t -60.11 -39.9 81.81 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.479 0 O-C-N 121.132 -0.98 . . . . 0.0 108.615 179.177 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . 0.455 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -61.9 -30.01 70.59 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.639 -0.663 . . . . 0.0 109.469 179.452 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 34.5 m -75.28 -33.04 61.2 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.127 -0.983 . . . . 0.0 108.985 -179.473 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 41.4 t -80.95 101.84 9.74 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.425 -0.797 . . . . 0.0 109.572 179.743 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 83.1 m-20 -61.2 -29.26 69.7 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.566 -0.709 . . . . 0.0 109.625 -179.843 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 48.2 mtpt -69.71 -39.96 76.57 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.106 -0.996 . . . . 0.0 110.202 -178.697 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 65.6 m -84.65 -28.18 26.61 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 120.657 -1.277 . . . . 0.0 109.319 179.426 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . 0.455 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 6.9 tt0 . . . . . 0 C--N 1.303 -1.441 0 O-C-N 121.062 -1.024 . . . . 0.0 108.778 179.606 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . 0.469 ' CZ ' ' CZ ' ' B' ' 1' ' ' PHE . 45.1 m-85 . . . . . 0 N--CA 1.484 1.261 0 CA-C-O 121.357 0.599 . . . . 0.0 109.828 . . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 43.9 mt -69.92 -39.68 76.0 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.339 -0.851 . . . . 0.0 110.994 -178.504 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -63.63 -44.92 92.5 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 120.836 -1.165 . . . . 0.0 110.624 -178.721 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.06 -46.68 50.09 Favored Glycine 0 N--CA 1.492 2.406 0 N-CA-C 109.912 -1.275 . . . . 0.0 109.912 -179.937 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.487 ' O ' ' N ' ' A' ' 9' ' ' GLN . 82.2 mt -59.98 -39.69 80.93 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 121.645 -0.915 . . . . 0.0 110.197 -179.914 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 61.3 t0 -55.11 -46.55 75.57 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.947 -1.096 . . . . 0.0 109.255 -179.39 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -69.96 -42.92 72.52 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.733 -1.229 . . . . 0.0 109.032 178.474 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.21 -36.4 84.06 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.192 -0.942 . . . . 0.0 109.547 -179.897 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.487 ' N ' ' O ' ' A' ' 5' ' ' ILE . 55.4 tt0 -56.32 -42.37 77.53 Favored 'General case' 0 C--N 1.303 -1.426 0 C-N-CA 119.689 -0.804 . . . . 0.0 109.459 -179.648 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 79.9 tt0 -60.8 -40.76 93.9 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.996 -1.065 . . . . 0.0 108.74 178.914 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 15.6 tm-20 -60.48 -41.46 94.26 Favored 'General case' 0 N--CA 1.487 1.398 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 179.435 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.579 ' O ' ' N ' ' A' ' 16' ' ' HIS . 12.9 t60 -61.8 -47.93 82.91 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.186 -0.946 . . . . 0.0 109.815 179.624 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 52.0 tp10 -60.25 -42.48 95.42 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.113 -0.992 . . . . 0.0 110.564 -179.176 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -61.24 -37.45 83.11 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.312 -0.867 . . . . 0.0 112.267 -178.436 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -134.89 -0.89 2.76 Favored 'General case' 0 N--CA 1.505 2.296 0 O-C-N 120.909 -1.12 . . . . 0.0 112.592 -176.722 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.579 ' N ' ' O ' ' A' ' 12' ' ' HIS . 91.0 m-70 52.33 41.26 30.46 Favored 'General case' 0 N--CA 1.501 2.105 0 O-C-N 120.431 -1.418 . . . . 0.0 107.361 -177.99 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 64.5 p -60.32 156.39 15.79 Favored 'General case' 0 C--N 1.303 -1.434 0 CA-C-O 121.523 0.678 . . . . 0.0 110.502 -178.154 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 65.8 m-20 -73.23 158.87 34.37 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.575 -0.703 . . . . 0.0 109.273 -179.721 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.516 ' NE1' ' NH1' ' A' ' 20' ' ' ARG . 18.9 p-90 -56.74 -28.68 61.53 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.342 -0.849 . . . . 0.0 109.432 179.747 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.516 ' NH1' ' NE1' ' A' ' 19' ' ' TRP . 7.3 mtt-85 -63.09 -41.1 99.32 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.207 -0.933 . . . . 0.0 109.39 -179.644 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.0 -48.49 62.95 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.416 -0.802 . . . . 0.0 110.172 -179.238 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 79.0 mtm -61.12 -40.26 93.11 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.129 -0.982 . . . . 0.0 109.81 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.495 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -59.74 -48.53 81.32 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.217 -0.927 . . . . 0.0 109.492 -179.813 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 49.1 m -69.43 -36.6 76.82 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.447 -0.783 . . . . 0.0 110.228 179.843 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -60.22 -38.92 84.84 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.009 -1.057 . . . . 0.0 110.857 -178.592 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -114.19 -0.72 13.85 Favored 'General case' 0 N--CA 1.504 2.226 0 O-C-N 121.186 -0.946 . . . . 0.0 109.702 -179.902 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.495 ' N ' ' O ' ' A' ' 23' ' ' ALA . 51.8 t30 57.63 49.26 12.8 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.516 -0.74 . . . . 0.0 110.32 179.097 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 29.9 mt -114.24 149.1 41.5 Favored Pre-proline 0 N--CA 1.501 2.12 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 179.415 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_exo -49.31 147.16 12.35 Favored 'Trans proline' 0 N--CA 1.492 1.433 0 C-N-CA 121.409 1.406 . . . . 0.0 111.511 179.376 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -44.57 -38.69 12.42 Favored 'Trans proline' 0 C--N 1.315 -1.21 0 C-N-CA 121.765 1.644 . . . . 0.0 111.42 179.459 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 66.6 t -51.0 -47.48 30.43 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.726 0 O-C-N 121.786 -0.571 . . . . 0.0 110.223 -178.561 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 40.3 t -65.89 -48.46 81.9 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.919 0 C-N-CA 118.256 -1.378 . . . . 0.0 109.727 -179.245 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.61 -45.67 82.23 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.444 -0.785 . . . . 0.0 109.787 179.916 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.436 ' NZ ' ' OE2' ' B' ' 35' ' ' GLU . 7.8 mtmp? -61.91 -36.48 81.47 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.016 -1.053 . . . . 0.0 110.146 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -60.15 -38.11 82.16 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.911 -1.118 . . . . 0.0 109.774 -178.998 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 70.1 mt -59.39 -39.97 80.41 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.465 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 179.309 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 60.4 t -62.44 -37.89 79.93 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 179.124 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.438 ' O ' ' OE1' ' A' ' 44' ' ' GLN . . . -60.43 -34.06 73.43 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.158 -0.964 . . . . 0.0 109.283 179.214 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 51.0 m -77.17 -24.24 51.48 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.981 -1.075 . . . . 0.0 109.922 -179.744 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 42.2 t -83.03 106.76 15.11 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.103 -0.998 . . . . 0.0 109.561 -179.951 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -61.76 -32.19 72.43 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.217 -0.927 . . . . 0.0 110.431 -179.943 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 25.3 mtpp -69.88 -44.1 70.45 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.081 -1.012 . . . . 0.0 111.14 -178.478 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 89.4 m -82.5 -31.87 29.06 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.8 -1.188 . . . . 0.0 109.959 179.898 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.438 ' OE1' ' O ' ' A' ' 38' ' ' ALA . 42.6 tt0 . . . . . 0 N--CA 1.495 1.816 0 O-C-N 121.116 -0.99 . . . . 0.0 110.994 -178.754 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . 0.469 ' CZ ' ' CZ ' ' A' ' 1' ' ' PHE . 42.3 m-85 . . . . . 0 N--CA 1.49 1.535 0 CA-C-O 121.447 0.642 . . . . 0.0 109.599 . . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 43.8 mt -70.23 -39.94 74.78 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.352 -0.842 . . . . 0.0 111.192 -178.821 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -64.46 -44.68 90.31 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.785 -1.197 . . . . 0.0 110.518 -178.701 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.64 -47.22 50.56 Favored Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.672 -1.371 . . . . 0.0 109.672 -179.719 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . 0.4 ' O ' ' N ' ' B' ' 9' ' ' GLN . 80.5 mt -59.59 -38.69 76.76 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.619 -0.93 . . . . 0.0 110.112 -179.954 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 59.0 t0 -56.35 -45.96 80.19 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 120.968 -1.082 . . . . 0.0 109.448 -179.24 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -70.25 -42.7 71.85 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.133 -0.979 . . . . 0.0 108.953 178.243 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.43 -37.72 87.74 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.239 -0.913 . . . . 0.0 109.498 179.824 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . 0.4 ' N ' ' O ' ' B' ' 5' ' ' ILE . 55.2 tt0 -55.68 -41.84 74.29 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.326 -0.859 . . . . 0.0 109.291 -179.279 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 80.1 tt0 -61.26 -40.07 92.7 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.024 -1.047 . . . . 0.0 108.579 178.929 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 -61.19 -42.43 98.56 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.3 -0.875 . . . . 0.0 108.907 179.17 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 12' ' ' HIS . . . . . 0.59 ' O ' ' N ' ' B' ' 16' ' ' HIS . 12.4 t60 -60.77 -48.27 82.58 Favored 'General case' 0 C--N 1.305 -1.331 0 O-C-N 121.373 -0.829 . . . . 0.0 109.778 179.532 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 50.0 tp10 -60.09 -41.24 92.06 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.853 -1.154 . . . . 0.0 110.846 -179.165 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -61.82 -38.77 89.41 Favored 'General case' 0 C--N 1.299 -1.629 0 O-C-N 121.108 -0.995 . . . . 0.0 112.244 -178.412 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -133.21 -1.47 3.23 Favored 'General case' 0 N--CA 1.506 2.352 0 O-C-N 121.114 -0.991 . . . . 0.0 112.92 -176.506 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.59 ' N ' ' O ' ' B' ' 12' ' ' HIS . 90.7 m-70 52.85 42.34 31.95 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 120.305 -1.497 . . . . 0.0 107.347 -177.833 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 79.4 p -61.3 155.94 19.98 Favored 'General case' 0 C--N 1.3 -1.565 0 CA-C-O 121.529 0.68 . . . . 0.0 110.701 -178.249 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 67.7 m-20 -72.55 159.93 33.11 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.226 -0.921 . . . . 0.0 109.454 -179.936 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 19' ' ' TRP . . . . . 0.515 ' NE1' ' NH1' ' B' ' 20' ' ' ARG . 19.8 p-90 -57.68 -28.99 64.28 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.098 -1.001 . . . . 0.0 109.402 179.616 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . 0.515 ' NH1' ' NE1' ' B' ' 19' ' ' TRP . 7.8 mtt-85 -62.49 -41.34 98.74 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.18 -0.95 . . . . 0.0 109.282 -179.466 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.7 -48.79 62.97 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.462 -0.774 . . . . 0.0 110.087 -179.483 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 79.3 mtm -60.97 -39.96 91.55 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.027 -1.045 . . . . 0.0 109.658 -179.753 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . 0.503 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -60.01 -48.76 80.36 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.089 -1.007 . . . . 0.0 109.61 -179.94 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 44.9 m -69.73 -34.84 74.41 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.324 -0.86 . . . . 0.0 110.275 179.692 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -61.12 -39.91 91.8 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.939 -1.101 . . . . 0.0 110.471 -178.539 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -113.31 -1.12 14.34 Favored 'General case' 0 N--CA 1.502 2.172 0 O-C-N 121.186 -0.946 . . . . 0.0 109.804 -179.959 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . 0.503 ' N ' ' O ' ' B' ' 23' ' ' ALA . 49.2 t30 58.14 49.52 11.28 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.425 -0.797 . . . . 0.0 110.375 179.121 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 29.8 mt -114.08 149.76 42.47 Favored Pre-proline 0 N--CA 1.498 1.966 0 O-C-N 121.536 -0.728 . . . . 0.0 109.086 179.149 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_exo -49.36 145.54 15.55 Favored 'Trans proline' 0 N--CA 1.491 1.338 0 C-N-CA 121.281 1.32 . . . . 0.0 111.543 179.0 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -44.26 -37.41 10.14 Favored 'Trans proline' 0 C--N 1.313 -1.298 0 C-N-CA 121.783 1.655 . . . . 0.0 111.389 179.829 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 78.4 t -51.71 -47.68 38.55 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.83 0 O-C-N 121.554 -0.716 . . . . 0.0 110.065 -178.783 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 33.7 t -65.59 -48.84 81.21 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.762 0 C-N-CA 118.379 -1.328 . . . . 0.0 109.528 -179.457 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.81 -45.89 84.32 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.315 -0.866 . . . . 0.0 109.689 -179.879 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 7.8 mtmp? -62.54 -36.3 82.18 Favored 'General case' 0 N--CA 1.484 1.241 0 O-C-N 120.935 -1.103 . . . . 0.0 110.351 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . 0.436 ' OE2' ' NZ ' ' A' ' 34' ' ' LYS . 7.8 tm-20 -60.33 -37.79 81.7 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.013 -1.054 . . . . 0.0 109.522 -178.922 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 67.6 mt -59.76 -39.8 80.78 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.277 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 179.214 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 59.3 t -62.65 -38.02 80.51 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.385 0 O-C-N 121.139 -0.976 . . . . 0.0 108.474 179.514 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . 0.58 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -60.12 -35.35 75.06 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.308 -0.87 . . . . 0.0 109.15 179.318 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 48.8 m -75.55 -24.5 56.72 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.812 -1.18 . . . . 0.0 109.858 -179.741 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 40.5 t -82.86 106.48 14.73 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.024 -1.047 . . . . 0.0 109.837 -179.773 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 -61.41 -33.19 73.27 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.546 -0.721 . . . . 0.0 110.393 -179.974 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 25.1 mtpp -69.18 -44.92 71.21 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.973 -1.08 . . . . 0.0 110.985 -178.795 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 88.1 m -81.92 -32.17 31.01 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 120.64 -1.288 . . . . 0.0 110.038 -179.854 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . 0.58 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 5.8 tt0 . . . . . 0 N--CA 1.497 1.91 0 O-C-N 121.199 -0.938 . . . . 0.0 111.028 -178.626 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 72.4 m-85 . . . . . 0 N--CA 1.494 1.751 0 CA-C-O 121.313 0.578 . . . . 0.0 110.16 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 18.9 mt -70.38 -37.75 74.6 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.165 -0.959 . . . . 0.0 111.366 -178.377 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 83.1 m-20 -61.86 -51.63 67.41 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.065 -1.022 . . . . 0.0 111.511 -178.081 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.6 -45.73 82.32 Favored Glycine 0 N--CA 1.491 2.365 0 N-CA-C 109.367 -1.493 . . . . 0.0 109.367 -179.532 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 87.9 mt -59.1 -38.34 73.53 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.621 0 O-C-N 121.317 -1.107 . . . . 0.0 110.386 -179.807 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 60.7 t0 -54.36 -46.8 73.07 Favored 'General case' 0 C--N 1.3 -1.585 0 C-N-CA 118.612 -1.235 . . . . 0.0 109.022 -179.131 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 58.3 mttm -70.0 -40.2 75.41 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.092 -1.005 . . . . 0.0 109.217 178.599 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.71 -38.86 87.6 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.607 -0.683 . . . . 0.0 109.574 179.628 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -57.38 -40.22 77.7 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.383 -0.823 . . . . 0.0 109.64 -179.083 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -62.25 -40.54 96.52 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 120.861 -1.149 . . . . 0.0 108.807 178.899 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 32.1 tp10 -59.96 -39.73 86.61 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.371 -0.83 . . . . 0.0 109.34 179.405 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.563 ' O ' ' N ' ' A' ' 16' ' ' HIS . 14.2 t60 -63.19 -46.7 85.86 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.172 -0.955 . . . . 0.0 109.834 179.854 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -61.14 -40.69 94.79 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.214 -0.929 . . . . 0.0 110.477 -179.198 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.4 mtpp -61.32 -36.6 80.59 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.628 -0.67 . . . . 0.0 112.435 -178.208 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -136.81 -1.33 2.24 Favored 'General case' 0 N--CA 1.509 2.525 0 O-C-N 121.015 -1.053 . . . . 0.0 112.452 -177.279 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.563 ' N ' ' O ' ' A' ' 12' ' ' HIS . 92.6 m-70 52.87 43.49 31.49 Favored 'General case' 0 N--CA 1.503 2.22 0 O-C-N 120.091 -1.63 . . . . 0.0 107.531 -177.462 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 76.6 p -63.66 160.22 17.37 Favored 'General case' 0 N--CA 1.495 1.811 0 CA-C-O 121.399 0.618 . . . . 0.0 110.905 -178.37 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -75.65 158.08 32.85 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.964 -1.085 . . . . 0.0 109.091 179.454 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 47.6 p-90 -57.54 -27.47 62.64 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.202 -0.936 . . . . 0.0 109.593 179.967 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 60.5 mtt-85 -63.11 -40.66 98.26 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.306 -0.871 . . . . 0.0 110.911 179.484 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.33 -50.39 53.65 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.315 -0.865 . . . . 0.0 109.337 -179.506 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 59.5 mtm -60.44 -39.87 89.08 Favored 'General case' 0 C--N 1.298 -1.633 0 C-N-CA 119.561 -0.856 . . . . 0.0 109.318 -179.958 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.458 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -57.71 -48.34 79.86 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 119.158 -1.017 . . . . 0.0 108.628 179.51 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 19.9 m -70.88 -35.34 72.31 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.215 -0.928 . . . . 0.0 109.897 179.676 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 56.8 t0 -58.86 -40.86 85.58 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.928 -1.108 . . . . 0.0 110.23 -178.859 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -112.41 0.94 15.77 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 121.218 -0.926 . . . . 0.0 110.511 -179.988 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.458 ' N ' ' O ' ' A' ' 23' ' ' ALA . 5.7 t-20 59.67 49.75 7.93 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.175 -0.953 . . . . 0.0 109.819 179.708 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 76.6 mt -117.0 152.43 48.71 Favored Pre-proline 0 N--CA 1.501 2.1 0 O-C-N 121.721 -0.612 . . . . 0.0 109.377 -179.666 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo -61.71 146.61 96.59 Favored 'Trans proline' 0 C--N 1.308 -1.598 0 C-N-CA 121.408 1.405 . . . . 0.0 111.84 -179.276 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.458 ' O ' ' N ' ' A' ' 34' ' ' LYS . 34.1 Cg_exo -41.4 -36.46 2.79 Favored 'Trans proline' 0 C--N 1.316 -1.17 0 C-N-CA 122.258 1.972 . . . . 0.0 112.004 -179.803 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 87.5 t -53.57 -49.67 54.32 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.671 0 O-C-N 121.224 -0.922 . . . . 0.0 110.454 -178.525 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 60.0 t -66.14 -49.48 75.92 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.748 0 C-N-CA 118.841 -1.144 . . . . 0.0 109.31 -179.105 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.77 -41.09 92.46 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.138 -0.976 . . . . 0.0 110.257 179.738 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 30' ' ' PRO . 2.9 mmmm -62.65 -39.12 92.9 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 120.776 -1.202 . . . . 0.0 110.053 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.1 tm-20 -60.84 -38.61 86.08 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 120.999 -1.063 . . . . 0.0 110.091 -178.917 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 60.3 mt -58.98 -39.94 79.36 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.387 0 C-N-CA 119.079 -1.048 . . . . 0.0 108.903 -179.715 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 93.5 t -63.47 -40.06 87.64 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 120.809 -1.182 . . . . 0.0 108.933 179.107 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.06 -29.94 70.04 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.507 -0.746 . . . . 0.0 109.742 179.812 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 68.1 m -78.01 -26.22 48.39 Favored 'General case' 0 C--N 1.298 -1.668 0 O-C-N 121.097 -1.002 . . . . 0.0 109.718 -179.161 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 28.3 t -82.02 104.32 12.29 Favored 'General case' 0 N--CA 1.489 1.498 0 CA-C-O 121.754 0.788 . . . . 0.0 109.249 179.89 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -60.49 -30.31 69.62 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.87 -0.519 . . . . 0.0 110.543 -179.121 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 57.3 mttp -69.94 -40.33 75.55 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.278 -0.889 . . . . 0.0 110.768 -178.858 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 66.8 m -84.01 -24.67 30.44 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 120.66 -1.275 . . . . 0.0 109.643 179.916 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 . . . . . 0 N--CA 1.49 1.525 0 O-C-N 121.056 -1.027 . . . . 0.0 109.65 -179.496 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 . . . . . 0 N--CA 1.49 1.567 0 CA-C-O 121.484 0.659 . . . . 0.0 109.693 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 18.7 mt -69.88 -37.75 76.15 Favored 'General case' 0 C--N 1.299 -1.625 0 O-C-N 121.156 -0.965 . . . . 0.0 111.999 -178.192 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -61.88 -52.16 65.24 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 120.991 -1.068 . . . . 0.0 111.424 -177.785 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.18 -43.36 89.77 Favored Glycine 0 N--CA 1.495 2.579 0 N-CA-C 109.734 -1.347 . . . . 0.0 109.734 -179.334 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . 0.472 ' O ' ' N ' ' B' ' 9' ' ' GLN . 92.3 mt -59.81 -38.53 76.53 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.427 -1.043 . . . . 0.0 109.211 179.512 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -53.45 -47.91 69.28 Favored 'General case' 0 C--N 1.303 -1.449 0 C-N-CA 118.665 -1.214 . . . . 0.0 108.96 -179.573 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 59.6 mttm -69.79 -41.32 75.23 Favored 'General case' 0 C--N 1.303 -1.437 0 C-N-CA 119.125 -1.03 . . . . 0.0 109.081 179.534 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.46 -37.52 85.31 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.417 -0.802 . . . . 0.0 109.549 179.662 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . 0.472 ' N ' ' O ' ' B' ' 5' ' ' ILE . 56.9 tt0 -57.61 -41.32 81.05 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.225 -0.922 . . . . 0.0 109.022 -178.567 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.38 -41.12 93.1 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 120.979 -1.076 . . . . 0.0 108.913 178.855 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 31.7 tp10 -60.1 -40.82 90.98 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.331 -0.856 . . . . 0.0 108.896 -179.699 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 12' ' ' HIS . . . . . 0.557 ' O ' ' N ' ' B' ' 16' ' ' HIS . 15.6 t60 -61.28 -47.32 86.54 Favored 'General case' 0 C--N 1.3 -1.552 0 C-N-CA 119.623 -0.831 . . . . 0.0 110.14 179.384 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -60.37 -41.75 94.39 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.329 -0.857 . . . . 0.0 110.18 -178.777 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 23.6 mtpp -60.79 -36.52 79.23 Favored 'General case' 0 N--CA 1.495 1.8 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 -178.337 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -136.96 -3.17 2.03 Favored 'General case' 0 N--CA 1.512 2.649 0 O-C-N 120.792 -1.193 . . . . 0.0 112.4 -177.446 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.557 ' N ' ' O ' ' B' ' 12' ' ' HIS . 91.6 m-70 55.88 42.02 29.35 Favored 'General case' 0 N--CA 1.502 2.174 0 N-CA-C 107.421 -1.325 . . . . 0.0 107.421 -178.201 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 81.7 p -63.26 158.67 19.59 Favored 'General case' 0 N--CA 1.491 1.576 0 CA-C-O 121.618 0.723 . . . . 0.0 110.935 -178.311 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 -74.08 157.41 36.11 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.066 -1.021 . . . . 0.0 109.115 179.624 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 50.5 p-90 -56.69 -27.04 58.12 Favored 'General case' 0 C--N 1.299 -1.604 0 C-N-CA 119.781 -0.768 . . . . 0.0 109.556 179.564 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 58.2 mtt-85 -63.48 -40.05 96.06 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.29 -0.881 . . . . 0.0 110.983 179.509 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.15 -49.17 59.24 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.193 -0.942 . . . . 0.0 109.52 -179.004 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 61.0 mtm -61.04 -40.24 92.87 Favored 'General case' 0 C--N 1.3 -1.582 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 179.707 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . 0.482 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -57.69 -49.59 76.02 Favored 'General case' 0 C--N 1.304 -1.391 0 C-N-CA 118.909 -1.116 . . . . 0.0 108.734 179.015 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 19.8 m -69.72 -34.15 73.47 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.689 -0.632 . . . . 0.0 109.971 179.326 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -60.68 -43.14 98.07 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.971 -1.081 . . . . 0.0 110.26 -179.591 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -110.78 1.83 18.0 Favored 'General case' 0 N--CA 1.503 2.197 0 O-C-N 120.974 -1.079 . . . . 0.0 110.523 -179.625 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . 0.482 ' N ' ' O ' ' B' ' 23' ' ' ALA . 6.9 t-20 58.09 51.24 8.95 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.923 -1.11 . . . . 0.0 109.528 179.051 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 78.4 mt -117.67 151.87 49.03 Favored Pre-proline 0 N--CA 1.501 2.106 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 -179.565 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_endo -60.59 146.16 97.54 Favored 'Trans proline' 0 N--CA 1.491 1.332 0 C-N-CA 121.595 1.53 . . . . 0.0 111.261 -179.833 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 30' ' ' PRO . . . . . 0.475 ' O ' ' N ' ' B' ' 34' ' ' LYS . 31.5 Cg_exo -42.19 -34.95 3.11 Favored 'Trans proline' 0 N--CA 1.488 1.193 0 C-N-CA 122.235 1.957 . . . . 0.0 111.785 -179.735 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 92.9 t -53.46 -48.26 57.96 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.707 0 O-C-N 121.205 -0.934 . . . . 0.0 110.744 -178.385 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 60.2 t -68.39 -47.45 77.57 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.693 0 C-N-CA 118.807 -1.157 . . . . 0.0 109.403 -178.906 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.11 -41.16 86.68 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.118 -0.988 . . . . 0.0 109.704 179.629 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.475 ' N ' ' O ' ' B' ' 30' ' ' PRO . 2.7 mmmm -62.34 -39.39 92.93 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.361 -0.837 . . . . 0.0 109.932 179.774 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 7.7 tm-20 -60.61 -39.42 88.07 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.073 -1.017 . . . . 0.0 110.159 -178.658 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 57.8 mt -59.19 -39.54 78.94 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.754 0 O-C-N 120.611 -1.305 . . . . 0.0 109.27 179.941 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 91.4 t -63.6 -40.32 88.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 C-N-CA 118.911 -1.115 . . . . 0.0 108.833 179.555 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . 0.566 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -60.57 -30.23 69.67 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.482 -0.761 . . . . 0.0 109.551 179.403 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 49.6 m -78.57 -24.27 45.64 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 120.593 -1.317 . . . . 0.0 109.845 -179.742 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 28.5 t -81.88 104.4 12.23 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.003 -1.06 . . . . 0.0 108.768 179.222 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 -60.99 -31.1 70.71 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.566 -0.709 . . . . 0.0 110.313 -178.934 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 58.2 mttp -69.58 -40.89 76.44 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.251 -0.906 . . . . 0.0 110.643 -178.913 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 63.1 m -83.16 -23.26 33.01 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 120.586 -1.321 . . . . 0.0 109.437 179.772 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . 0.566 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 16.3 tt0 . . . . . 0 N--CA 1.491 1.579 0 O-C-N 120.96 -1.087 . . . . 0.0 109.846 -179.393 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 . . . . . 0 N--CA 1.493 1.684 0 CA-C-O 121.207 0.527 . . . . 0.0 110.223 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 19.8 mt -70.37 -40.5 73.96 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.371 -0.831 . . . . 0.0 110.819 -178.243 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -67.44 -46.37 73.33 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.77 -1.207 . . . . 0.0 110.677 -179.2 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.01 -49.7 45.78 Favored Glycine 0 N--CA 1.496 2.677 0 C-N-CA 120.049 -1.072 . . . . 0.0 110.433 -179.04 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 81.6 mt -58.58 -37.91 67.74 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.763 0 O-C-N 121.302 -1.117 . . . . 0.0 110.057 -179.648 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -54.65 -46.85 74.06 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 120.708 -1.245 . . . . 0.0 108.566 -179.5 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 46.9 mtpt -69.32 -45.38 69.62 Favored 'General case' 0 C--N 1.302 -1.482 0 C-N-CA 119.27 -0.972 . . . . 0.0 109.276 179.167 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.42 -36.87 85.56 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.429 -0.795 . . . . 0.0 109.761 -179.689 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -56.66 -41.29 76.97 Favored 'General case' 0 C--N 1.307 -1.239 0 C-N-CA 119.483 -0.887 . . . . 0.0 108.833 -179.573 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -61.59 -42.82 99.41 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 120.753 -1.217 . . . . 0.0 108.749 179.076 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 34.5 tp10 -61.06 -41.02 95.83 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.24 -0.912 . . . . 0.0 108.59 179.304 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.535 ' O ' ' N ' ' A' ' 16' ' ' HIS . 13.0 t60 -61.01 -48.03 83.7 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.231 -0.918 . . . . 0.0 110.259 179.913 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -59.73 -42.09 92.35 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.226 -0.921 . . . . 0.0 110.443 -178.858 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -61.85 -30.32 70.77 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.293 -0.88 . . . . 0.0 112.806 -178.79 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -139.48 -8.12 1.29 Allowed 'General case' 0 N--CA 1.509 2.495 0 O-C-N 120.54 -1.35 . . . . 0.0 112.244 -177.342 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.535 ' N ' ' O ' ' A' ' 12' ' ' HIS . 91.6 m-70 55.5 41.92 30.33 Favored 'General case' 0 N--CA 1.494 1.766 0 N-CA-C 107.349 -1.352 . . . . 0.0 107.349 -177.424 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 99.1 p -63.21 157.32 22.86 Favored 'General case' 0 C--N 1.305 -1.336 0 CA-C-O 121.426 0.632 . . . . 0.0 109.751 -179.338 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 74.3 m-20 -72.6 159.48 33.82 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.237 -0.914 . . . . 0.0 108.995 179.651 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 40.2 p-90 -57.81 -29.51 64.96 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.16 -0.963 . . . . 0.0 110.186 -179.593 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 81.7 mtm180 -63.46 -40.77 98.0 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.004 -1.06 . . . . 0.0 110.512 -179.857 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.03 -46.94 66.68 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 120.98 -1.075 . . . . 0.0 109.463 -179.113 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 76.9 mtm -61.66 -40.53 95.26 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.429 -0.794 . . . . 0.0 109.68 179.251 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.475 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -58.58 -46.27 87.3 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.175 -0.953 . . . . 0.0 108.968 -179.673 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 67.9 m -70.32 -35.65 73.78 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.28 -0.887 . . . . 0.0 109.414 178.881 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 52.0 t0 -61.02 -40.78 94.86 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.343 -0.848 . . . . 0.0 110.112 -179.413 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -107.95 -0.6 21.29 Favored 'General case' 0 N--CA 1.504 2.24 0 O-C-N 121.467 -0.77 . . . . 0.0 110.626 -179.9 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.475 ' N ' ' O ' ' A' ' 23' ' ' ALA . 10.3 t-20 57.74 45.75 18.33 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.361 -0.837 . . . . 0.0 109.615 -179.848 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 46.9 mt -115.95 151.32 46.35 Favored Pre-proline 0 N--CA 1.504 2.242 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 179.685 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -61.53 151.49 79.6 Favored 'Trans proline' 0 N--CA 1.493 1.47 0 C-N-CA 121.902 1.735 . . . . 0.0 111.77 -179.383 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_exo -43.82 -34.84 6.29 Favored 'Trans proline' 0 C--N 1.315 -1.219 0 C-N-CA 122.059 1.839 . . . . 0.0 111.642 179.896 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 71.8 t -52.03 -49.83 37.25 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.775 0 O-C-N 121.376 -0.827 . . . . 0.0 110.425 -178.328 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 88.9 t -68.81 -49.31 65.06 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.623 0 C-N-CA 118.896 -1.122 . . . . 0.0 109.782 -179.283 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.44 -43.42 94.36 Favored 'General case' 0 C--N 1.3 -1.568 0 C-N-CA 119.614 -0.835 . . . . 0.0 110.237 -179.791 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 26.4 mtpp -61.71 -36.33 80.63 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 120.701 -1.25 . . . . 0.0 110.238 179.963 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.3 tm-20 -62.34 -38.64 90.28 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.051 -1.031 . . . . 0.0 110.24 -178.726 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 21.1 mt -60.63 -40.64 85.29 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.129 -0.982 . . . . 0.0 109.043 179.948 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 98.7 t -62.73 -39.0 83.13 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.452 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 179.261 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.16 -33.82 72.72 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.821 -0.549 . . . . 0.0 109.663 179.748 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 20.2 m -78.04 -25.41 47.78 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.053 -1.029 . . . . 0.0 109.456 -179.499 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 47.0 t -82.15 99.96 9.54 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.1 -1.0 . . . . 0.0 109.137 179.835 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -60.46 -29.81 69.27 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.34 -0.85 . . . . 0.0 109.976 -179.778 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 52.6 mtpt -69.1 -39.21 79.13 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.141 -0.974 . . . . 0.0 110.545 -178.926 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 59.9 m -84.95 -22.05 29.35 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.736 -1.227 . . . . 0.0 108.984 179.298 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 . . . . . 0 N--CA 1.497 1.893 0 O-C-N 121.211 -0.931 . . . . 0.0 109.009 -179.839 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 . . . . . 0 N--CA 1.492 1.641 0 CA-C-O 121.424 0.63 . . . . 0.0 110.103 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 22.1 mt -70.88 -41.21 71.64 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.306 -0.871 . . . . 0.0 110.784 -178.144 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 53.5 t0 -67.51 -45.98 74.22 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.747 -1.221 . . . . 0.0 110.408 -179.149 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.8 -50.08 44.43 Favored Glycine 0 N--CA 1.494 2.504 0 C-N-CA 119.993 -1.098 . . . . 0.0 110.653 -179.336 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 83.4 mt -58.67 -38.07 69.35 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.568 0 O-C-N 121.254 -1.144 . . . . 0.0 109.771 -179.6 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 62.5 t0 -54.46 -47.12 73.31 Favored 'General case' 0 C--N 1.302 -1.459 0 C-N-CA 118.563 -1.255 . . . . 0.0 108.921 -179.531 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 47.1 mtpt -69.54 -44.37 71.07 Favored 'General case' 0 N--CA 1.487 1.425 0 C-N-CA 119.309 -0.956 . . . . 0.0 109.291 178.93 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.61 -37.83 88.91 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.154 -0.966 . . . . 0.0 109.611 -179.816 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -56.28 -40.99 75.17 Favored 'General case' 0 N--CA 1.484 1.249 0 O-C-N 121.264 -0.897 . . . . 0.0 109.16 -179.581 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -61.45 -43.12 99.43 Favored 'General case' 0 C--N 1.3 -1.555 0 C-N-CA 118.592 -1.243 . . . . 0.0 108.605 178.624 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 33.4 tp10 -60.73 -41.98 96.41 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.224 -0.923 . . . . 0.0 108.917 179.288 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 12' ' ' HIS . . . . . 0.541 ' O ' ' N ' ' B' ' 16' ' ' HIS . 12.5 t60 -60.74 -47.27 87.04 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.332 -0.855 . . . . 0.0 110.281 179.899 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -60.48 -41.1 93.55 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.015 -1.053 . . . . 0.0 110.508 -178.988 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -62.71 -29.81 70.94 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.512 -0.742 . . . . 0.0 112.7 -178.679 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -139.81 -8.21 1.23 Allowed 'General case' 0 N--CA 1.509 2.489 0 O-C-N 120.669 -1.27 . . . . 0.0 112.143 -177.133 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.541 ' N ' ' O ' ' B' ' 12' ' ' HIS . 90.8 m-70 55.67 42.75 29.06 Favored 'General case' 0 N--CA 1.492 1.642 0 N-CA-C 107.229 -1.397 . . . . 0.0 107.229 -177.851 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 93.6 p -64.56 156.46 29.8 Favored 'General case' 0 C--N 1.304 -1.393 0 CA-C-O 121.393 0.616 . . . . 0.0 109.832 -179.101 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 69.7 m-20 -72.01 158.85 35.22 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.029 -1.044 . . . . 0.0 108.817 179.653 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 40.9 p-90 -57.58 -29.1 64.18 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.239 -0.913 . . . . 0.0 110.257 -179.62 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 82.2 mtm180 -64.05 -40.56 96.57 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 120.925 -1.109 . . . . 0.0 110.477 -179.905 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.88 -46.12 69.23 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 120.856 -1.153 . . . . 0.0 109.496 -179.538 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 77.2 mtm -63.09 -39.76 95.65 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.88 -1.137 . . . . 0.0 109.792 179.58 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . 0.479 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -58.59 -46.28 87.29 Favored 'General case' 0 N--CA 1.491 1.618 0 C-N-CA 119.432 -0.907 . . . . 0.0 108.639 -179.862 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 67.9 m -69.99 -36.87 75.49 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.232 -0.918 . . . . 0.0 109.394 179.365 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 51.1 t0 -60.03 -41.2 91.72 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.449 -0.782 . . . . 0.0 110.346 -179.438 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -107.88 -0.31 21.58 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.266 -0.896 . . . . 0.0 110.168 -179.676 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . 0.479 ' N ' ' O ' ' B' ' 23' ' ' ALA . 10.4 t-20 57.96 44.83 19.07 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.269 -0.895 . . . . 0.0 109.456 179.917 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 49.9 mt -114.95 151.45 45.54 Favored Pre-proline 0 N--CA 1.498 1.938 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 179.5 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_endo -61.55 150.45 85.3 Favored 'Trans proline' 0 N--CA 1.495 1.601 0 C-N-CA 121.936 1.757 . . . . 0.0 112.031 -179.531 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 27.2 Cg_exo -42.93 -34.61 3.87 Favored 'Trans proline' 0 C--N 1.312 -1.379 0 C-N-CA 122.023 1.815 . . . . 0.0 111.6 179.685 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 75.8 t -52.9 -49.85 46.36 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.563 0 O-C-N 121.334 -0.854 . . . . 0.0 110.335 -178.572 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 61.5 t -68.6 -49.57 63.86 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.813 0 C-N-CA 118.506 -1.278 . . . . 0.0 109.811 -179.204 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.45 -43.23 94.94 Favored 'General case' 0 C--N 1.304 -1.375 0 C-N-CA 119.593 -0.843 . . . . 0.0 110.24 -179.752 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -61.67 -36.82 81.94 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.614 -1.304 . . . . 0.0 110.258 179.836 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.4 tm-20 -61.3 -39.07 89.1 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 120.947 -1.096 . . . . 0.0 110.452 -178.61 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 22.4 mt -60.42 -40.73 85.01 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.224 -0.923 . . . . 0.0 109.072 -179.971 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 94.7 t -62.2 -39.44 83.99 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.395 0 N-CA-C 108.431 -0.951 . . . . 0.0 108.431 179.471 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . 0.428 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -60.16 -33.48 72.24 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.717 -0.614 . . . . 0.0 109.71 179.739 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 22.2 m -77.88 -24.77 48.38 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.383 -0.823 . . . . 0.0 109.505 -179.835 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 46.2 t -83.58 99.53 10.23 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.367 -0.833 . . . . 0.0 109.089 179.846 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 92.7 m-20 -60.1 -29.95 68.93 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.126 -0.984 . . . . 0.0 109.873 -179.834 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 50.6 mtpt -68.71 -38.65 80.4 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.196 -0.94 . . . . 0.0 110.578 -178.803 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 58.9 m -85.74 -21.01 28.44 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 120.672 -1.268 . . . . 0.0 109.231 179.349 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . 0.428 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 17.7 tt0 . . . . . 0 N--CA 1.492 1.653 0 O-C-N 121.273 -0.892 . . . . 0.0 108.897 -179.719 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . 0.505 ' CE2' ' CE2' ' B' ' 1' ' ' PHE . 34.1 m-85 . . . . . 0 N--CA 1.495 1.786 0 CA-C-O 121.676 0.75 . . . . 0.0 109.816 . . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 44.3 mt -66.7 -36.55 82.76 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.354 -0.841 . . . . 0.0 111.423 -177.918 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 53.7 t0 -61.62 -48.54 80.41 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.958 -1.089 . . . . 0.0 109.861 -179.059 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.3 -43.17 80.45 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 110.046 -1.221 . . . . 0.0 110.046 -179.655 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 74.6 mt -61.48 -39.99 84.85 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.739 0 O-C-N 121.508 -0.995 . . . . 0.0 110.378 -179.546 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -57.88 -47.18 83.52 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 120.96 -1.087 . . . . 0.0 109.601 -179.132 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -69.01 -39.89 79.03 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.133 -0.979 . . . . 0.0 109.226 179.338 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.38 -39.3 85.62 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.686 -0.634 . . . . 0.0 109.953 179.954 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 10.9 tm0? -56.37 -40.85 75.22 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 119.278 -0.969 . . . . 0.0 109.248 -179.65 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -61.45 -42.29 98.53 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.953 -1.092 . . . . 0.0 109.001 179.43 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.0 tp10 -60.69 -40.3 91.69 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 179.598 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.572 ' O ' ' N ' ' A' ' 16' ' ' HIS . 14.2 t60 -60.78 -47.71 85.09 Favored 'General case' 0 N--CA 1.486 1.371 0 O-C-N 121.527 -0.733 . . . . 0.0 110.227 179.528 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -60.4 -40.79 92.24 Favored 'General case' 0 C--N 1.294 -1.815 0 O-C-N 121.047 -1.033 . . . . 0.0 110.057 -178.684 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 51.5 mtpt -62.86 -33.63 75.67 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.761 -0.587 . . . . 0.0 112.549 -177.995 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -138.94 -2.18 1.72 Allowed 'General case' 0 N--CA 1.509 2.476 0 O-C-N 120.953 -1.092 . . . . 0.0 112.241 -177.463 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.572 ' N ' ' O ' ' A' ' 12' ' ' HIS . 91.0 m-70 52.56 42.16 31.32 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 120.183 -1.573 . . . . 0.0 107.816 -177.598 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 89.8 p -62.41 159.35 15.62 Favored 'General case' 0 C--N 1.298 -1.646 0 C-N-CA 119.834 -0.746 . . . . 0.0 110.365 -178.572 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 22.9 m120 -75.02 158.21 33.59 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.61 -0.681 . . . . 0.0 109.532 179.664 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 36.1 p-90 -57.18 -30.04 64.17 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.003 -1.06 . . . . 0.0 110.098 -179.762 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -63.64 -39.85 95.37 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.512 -1.367 . . . . 0.0 109.255 179.43 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.67 -50.16 53.28 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.375 -0.828 . . . . 0.0 109.619 -179.863 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 78.0 mtm -60.38 -39.87 88.8 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.11 -0.994 . . . . 0.0 109.485 -179.843 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.5 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -60.39 -44.45 95.66 Favored 'General case' 0 N--CA 1.489 1.507 0 C-N-CA 119.293 -0.963 . . . . 0.0 109.182 -179.673 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 31.0 m -70.08 -38.45 75.72 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.506 -0.746 . . . . 0.0 110.222 -179.694 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -59.5 -40.24 86.42 Favored 'General case' 0 C--N 1.297 -1.692 0 C-N-CA 119.306 -0.958 . . . . 0.0 110.333 -177.972 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -110.87 -3.22 15.76 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.512 -0.742 . . . . 0.0 110.326 -179.132 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.5 ' N ' ' O ' ' A' ' 23' ' ' ALA . 1.6 t-20 58.87 49.13 10.21 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.557 -0.714 . . . . 0.0 110.145 179.389 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 46.8 mt -112.91 146.31 34.84 Favored Pre-proline 0 N--CA 1.505 2.286 0 O-C-N 121.101 -0.999 . . . . 0.0 109.003 179.561 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -46.04 147.14 3.75 Favored 'Trans proline' 0 N--CA 1.489 1.239 0 C-N-CA 120.951 1.101 . . . . 0.0 111.466 179.082 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -44.36 -40.2 12.95 Favored 'Trans proline' 0 C--N 1.314 -1.253 0 C-N-CA 121.954 1.77 . . . . 0.0 111.842 178.585 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 57.8 t -51.8 -46.54 39.82 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 121.4 -0.813 . . . . 0.0 110.361 -178.572 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 45.4 t -65.16 -50.29 74.77 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.885 0 C-N-CA 117.886 -1.525 . . . . 0.0 108.543 -178.737 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.49 -46.9 84.0 Favored 'General case' 0 C--N 1.3 -1.55 0 C-N-CA 120.07 -0.652 . . . . 0.0 110.307 179.545 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 41.3 mtmt -60.84 -36.62 79.58 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.007 -1.058 . . . . 0.0 110.182 179.919 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.7 tm-20 -60.48 -37.18 80.21 Favored 'General case' 0 C--N 1.305 -1.355 0 C-N-CA 119.242 -0.983 . . . . 0.0 108.89 -179.27 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 68.0 mt -59.77 -40.76 83.39 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.491 0 O-C-N 121.166 -0.959 . . . . 0.0 108.832 178.851 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 92.0 t -62.17 -39.66 84.75 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.465 0 O-C-N 121.041 -1.037 . . . . 0.0 108.517 179.317 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.18 -32.11 69.62 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.43 -0.793 . . . . 0.0 109.257 179.67 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 30.7 m -77.8 -30.1 51.08 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.99 -1.069 . . . . 0.0 110.026 -179.486 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 43.1 t -83.11 104.1 13.04 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.454 -0.778 . . . . 0.0 109.764 179.709 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 84.4 m-20 -61.61 -30.4 70.67 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.352 -0.843 . . . . 0.0 110.823 -179.699 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 64.4 mttp -68.9 -40.25 79.24 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.968 -1.083 . . . . 0.0 110.506 -178.656 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 90.7 m -88.02 -21.01 25.03 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 120.737 -1.227 . . . . 0.0 110.105 -179.918 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 . . . . . 0 C--N 1.298 -1.668 0 C-N-CA 119.531 -0.867 . . . . 0.0 109.695 -178.285 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . 0.505 ' CE2' ' CE2' ' A' ' 1' ' ' PHE . 33.4 m-85 . . . . . 0 N--CA 1.492 1.663 0 CA-C-O 121.533 0.682 . . . . 0.0 109.664 . . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 33.1 mt -66.07 -36.53 83.47 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.3 -0.875 . . . . 0.0 111.114 -178.458 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 53.5 t0 -61.5 -47.61 84.83 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 120.945 -1.097 . . . . 0.0 109.921 -178.768 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.96 -43.46 65.39 Favored Glycine 0 N--CA 1.492 2.426 0 N-CA-C 109.974 -1.251 . . . . 0.0 109.974 -179.56 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 74.0 mt -61.62 -40.14 85.6 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.407 -1.055 . . . . 0.0 110.515 -179.537 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -56.96 -48.65 77.84 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.061 -1.025 . . . . 0.0 109.303 -179.166 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -69.33 -39.7 78.03 Favored 'General case' 0 C--N 1.296 -1.721 0 C-N-CA 119.145 -1.022 . . . . 0.0 109.516 179.118 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.9 -38.49 86.36 Favored 'General case' 0 C--N 1.3 -1.571 0 C-N-CA 119.497 -0.881 . . . . 0.0 109.73 179.981 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 11.6 tm0? -56.87 -41.09 77.37 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.249 -0.907 . . . . 0.0 110.063 -179.608 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -61.16 -42.75 99.11 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.889 -1.132 . . . . 0.0 109.017 179.245 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 40.0 tp10 -59.88 -40.08 87.48 Favored 'General case' 0 C--N 1.303 -1.427 0 N-CA-C 108.307 -0.998 . . . . 0.0 108.307 179.517 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 12' ' ' HIS . . . . . 0.607 ' O ' ' N ' ' B' ' 16' ' ' HIS . 14.0 t60 -61.03 -47.99 83.83 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.501 -0.749 . . . . 0.0 110.105 179.192 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -60.32 -40.8 91.9 Favored 'General case' 0 C--N 1.297 -1.691 0 O-C-N 121.249 -0.907 . . . . 0.0 109.817 -178.798 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 52.9 mtpt -62.36 -32.86 73.71 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.537 -0.727 . . . . 0.0 112.84 -178.426 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -140.48 -0.13 1.61 Allowed 'General case' 0 N--CA 1.508 2.433 0 O-C-N 120.59 -1.319 . . . . 0.0 111.915 -177.865 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.607 ' N ' ' O ' ' B' ' 12' ' ' HIS . 90.8 m-70 51.78 42.57 30.03 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.431 -1.418 . . . . 0.0 107.935 -177.764 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 81.0 p -62.58 157.47 20.5 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 121.432 -0.792 . . . . 0.0 110.656 -178.655 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 20.6 m120 -73.99 156.71 37.27 Favored 'General case' 0 N--CA 1.493 1.714 0 CA-C-O 121.225 0.536 . . . . 0.0 109.915 -179.888 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 35.7 p-90 -55.51 -31.24 61.88 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.087 -1.008 . . . . 0.0 110.518 -179.511 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -63.18 -39.7 95.39 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 120.733 -1.229 . . . . 0.0 109.595 179.278 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.73 -49.47 58.51 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.44 -0.787 . . . . 0.0 109.48 -179.745 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 77.3 mtm -61.38 -40.18 93.39 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.407 -0.808 . . . . 0.0 110.167 179.689 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . 0.492 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -60.42 -43.51 96.67 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.132 -0.98 . . . . 0.0 109.286 179.952 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 25.0 m -70.25 -37.44 74.94 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.444 -0.785 . . . . 0.0 110.562 -179.497 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -61.57 -39.74 92.22 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.27 -0.894 . . . . 0.0 110.537 -178.666 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -110.61 -3.07 16.1 Favored 'General case' 0 N--CA 1.502 2.17 0 O-C-N 121.387 -0.82 . . . . 0.0 110.188 -179.391 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . 0.492 ' N ' ' O ' ' B' ' 23' ' ' ALA . 1.6 t-20 58.32 48.83 11.88 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.4 -0.812 . . . . 0.0 110.222 179.447 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 57.5 mt -112.57 144.19 30.44 Favored Pre-proline 0 N--CA 1.502 2.159 0 O-C-N 121.158 -0.964 . . . . 0.0 109.358 -179.713 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_exo -45.02 145.17 3.26 Favored 'Trans proline' 0 N--CA 1.49 1.288 0 C-N-CA 121.589 1.526 . . . . 0.0 111.546 179.184 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -42.73 -40.7 8.11 Favored 'Trans proline' 0 C--N 1.31 -1.498 0 C-N-CA 121.671 1.581 . . . . 0.0 111.588 179.433 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 60.9 t -51.25 -47.27 33.62 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.779 0 O-C-N 121.543 -0.723 . . . . 0.0 110.384 -178.268 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 48.2 t -65.11 -49.61 78.44 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.885 0 C-N-CA 118.233 -1.387 . . . . 0.0 109.143 -179.003 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.98 -46.92 82.44 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.347 -0.846 . . . . 0.0 109.683 179.794 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 39.9 mtmt -60.74 -36.78 79.73 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.286 -0.884 . . . . 0.0 109.953 -179.77 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 14.6 tm-20 -60.41 -37.51 81.07 Favored 'General case' 0 C--N 1.305 -1.334 0 O-C-N 120.953 -1.092 . . . . 0.0 109.004 -178.911 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 76.8 mt -59.6 -38.7 76.85 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.483 0 O-C-N 121.061 -1.024 . . . . 0.0 108.835 178.818 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 87.0 t -63.29 -39.36 84.99 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.455 0 O-C-N 121.129 -0.982 . . . . 0.0 108.652 179.055 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . 0.553 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -59.6 -31.81 69.82 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 -179.827 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 45.3 m -78.09 -30.58 49.66 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 119.848 -0.741 . . . . 0.0 110.179 -179.443 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 43.0 t -83.2 105.08 13.88 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.2 -0.937 . . . . 0.0 109.123 -179.978 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -62.04 -30.14 70.77 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.121 -0.987 . . . . 0.0 110.48 -179.405 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -68.28 -39.9 81.97 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.11 -0.994 . . . . 0.0 111.012 -178.773 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 96.4 m -88.63 -20.89 24.35 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.904 -1.122 . . . . 0.0 109.771 -179.82 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . 0.553 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 7.2 tt0 . . . . . 0 N--CA 1.491 1.604 0 O-C-N 121.358 -0.839 . . . . 0.0 109.897 -178.815 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 . . . . . 0 N--CA 1.494 1.738 0 CA-C-O 121.508 0.671 . . . . 0.0 110.322 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 41.9 mt -71.35 -39.22 71.43 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.147 -0.971 . . . . 0.0 110.668 -178.774 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -66.04 -39.77 90.44 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.019 -1.051 . . . . 0.0 111.227 -178.869 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.11 -49.7 15.28 Favored Glycine 0 N--CA 1.495 2.595 0 N-CA-C 109.97 -1.252 . . . . 0.0 109.97 -179.454 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.526 ' O ' ' N ' ' A' ' 9' ' ' GLN . 84.7 mt -59.89 -40.08 81.81 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.653 0 O-C-N 121.151 -1.205 . . . . 0.0 109.79 -179.738 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -53.02 -47.72 68.13 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 120.781 -1.199 . . . . 0.0 109.359 -178.902 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -69.75 -43.95 71.22 Favored 'General case' 0 C--N 1.302 -1.485 0 C-N-CA 119.038 -1.065 . . . . 0.0 109.236 178.624 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.71 -32.38 73.64 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.0 -1.063 . . . . 0.0 109.985 179.973 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.526 ' N ' ' O ' ' A' ' 5' ' ' ILE . 60.5 tt0 -59.44 -41.11 88.86 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.229 -0.919 . . . . 0.0 109.797 -179.554 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -61.94 -41.72 98.29 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 179.702 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.7 tm-20 -60.94 -40.71 94.31 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 178.745 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.575 ' O ' ' N ' ' A' ' 16' ' ' HIS . 12.8 t60 -63.38 -47.3 82.62 Favored 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 119.325 -0.95 . . . . 0.0 109.856 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -59.94 -41.66 92.3 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.084 -1.01 . . . . 0.0 110.497 -178.842 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.7 mtpp -63.19 -33.63 75.89 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.539 -0.726 . . . . 0.0 112.46 -178.402 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -136.31 -7.64 2.01 Favored 'General case' 0 N--CA 1.508 2.443 0 O-C-N 120.863 -1.148 . . . . 0.0 112.482 -176.864 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.575 ' N ' ' O ' ' A' ' 12' ' ' HIS . 95.7 m-70 55.82 43.93 26.86 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 107.163 -1.421 . . . . 0.0 107.163 -177.74 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 97.8 p -64.21 159.85 19.81 Favored 'General case' 0 C--N 1.303 -1.425 0 CA-C-O 121.576 0.703 . . . . 0.0 110.043 -178.828 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -74.03 160.56 31.13 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 -179.989 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 33.2 p-90 -59.54 -30.33 68.53 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.886 -1.134 . . . . 0.0 110.19 -179.305 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -63.83 -42.15 97.7 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.001 -1.062 . . . . 0.0 110.416 -179.935 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.56 -49.02 70.39 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.204 -0.935 . . . . 0.0 109.722 -179.498 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 76.8 mtm -60.44 -39.96 89.38 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.163 -0.96 . . . . 0.0 109.437 179.863 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.469 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -57.67 -45.33 85.73 Favored 'General case' 0 C--N 1.299 -1.625 0 C-N-CA 119.633 -0.827 . . . . 0.0 109.517 -179.872 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 21.6 t -70.77 -37.85 73.41 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.399 -0.813 . . . . 0.0 109.74 179.738 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -60.65 -41.93 95.95 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.596 -0.69 . . . . 0.0 110.695 -179.45 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -108.51 -0.34 20.47 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.552 -0.717 . . . . 0.0 110.008 -179.455 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.469 ' N ' ' O ' ' A' ' 23' ' ' ALA . 11.3 t-20 56.79 51.39 10.94 Favored 'General case' 0 C--N 1.301 -1.539 0 C-N-CA 119.634 -0.826 . . . . 0.0 109.536 -179.768 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 66.1 mt -121.17 150.49 53.88 Favored Pre-proline 0 N--CA 1.509 2.495 0 O-C-N 121.085 -1.009 . . . . 0.0 108.885 -179.915 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_endo -59.33 148.86 84.51 Favored 'Trans proline' 0 C--N 1.313 -1.311 0 C-N-CA 121.465 1.443 . . . . 0.0 111.646 -179.75 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 27.2 Cg_exo -42.08 -31.71 1.66 Allowed 'Trans proline' 0 C--N 1.31 -1.466 0 C-N-CA 121.952 1.768 . . . . 0.0 110.9 178.972 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 42.8 t -52.76 -52.64 26.08 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.618 0 O-C-N 121.334 -0.854 . . . . 0.0 110.834 -178.234 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 99.3 t -68.27 -49.12 69.72 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.962 0 C-N-CA 118.435 -1.306 . . . . 0.0 109.559 -178.97 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.6 -44.34 94.29 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.243 -0.911 . . . . 0.0 110.611 -179.716 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -61.07 -36.14 78.84 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.832 -1.168 . . . . 0.0 110.457 -179.609 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.6 tm-20 -60.98 -39.47 89.76 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.712 -1.242 . . . . 0.0 110.188 -179.347 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 12.8 mt -60.21 -40.23 83.0 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.453 0 O-C-N 120.915 -1.116 . . . . 0.0 108.976 -179.922 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 74.9 t -62.64 -40.08 87.07 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.621 0 O-C-N 121.303 -0.873 . . . . 0.0 108.878 179.455 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.82 -32.46 70.67 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.394 -0.816 . . . . 0.0 111.222 -179.512 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 41.0 m -80.5 -23.43 40.12 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.967 -1.083 . . . . 0.0 110.417 -178.952 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 41.6 t -86.26 108.01 18.2 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.093 -1.004 . . . . 0.0 110.783 -179.407 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.411 ' C ' ' H ' ' A' ' 43' ' ' CYS . 85.2 m-20 -63.52 -28.23 69.81 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.456 -0.777 . . . . 0.0 109.43 179.066 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 62.1 mttp -74.88 9.92 1.67 Allowed 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.475 -0.765 . . . . 0.0 109.837 -179.443 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.411 ' H ' ' C ' ' A' ' 41' ' ' ASP . 78.3 m -147.7 -32.4 0.28 Allowed 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.35 -0.844 . . . . 0.0 109.579 -179.981 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 . . . . . 0 N--CA 1.494 1.769 0 O-C-N 121.033 -1.042 . . . . 0.0 109.721 179.785 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 . . . . . 0 N--CA 1.492 1.668 0 CA-C-O 121.628 0.727 . . . . 0.0 110.254 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 46.4 mt -68.66 -39.59 80.59 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.209 -0.932 . . . . 0.0 110.468 -178.075 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -64.24 -40.14 95.41 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.349 -0.844 . . . . 0.0 111.144 -179.272 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.29 -50.46 12.25 Favored Glycine 0 N--CA 1.494 2.535 0 N-CA-C 109.926 -1.27 . . . . 0.0 109.926 -179.533 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . 0.519 ' O ' ' N ' ' B' ' 9' ' ' GLN . 87.9 mt -59.6 -39.65 80.04 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.605 0 O-C-N 121.529 -0.983 . . . . 0.0 110.36 -179.444 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -53.26 -49.03 67.74 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 120.876 -1.14 . . . . 0.0 109.419 -179.781 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 61.2 mttp -69.08 -44.91 71.6 Favored 'General case' 0 C--N 1.3 -1.562 0 C-N-CA 119.06 -1.056 . . . . 0.0 109.497 179.244 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.75 -32.8 74.55 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.195 -0.94 . . . . 0.0 110.096 179.99 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . 0.519 ' N ' ' O ' ' B' ' 5' ' ' ILE . 61.0 tt0 -59.28 -41.46 88.95 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 121.388 -0.82 . . . . 0.0 109.722 -179.56 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -61.17 -42.64 98.93 Favored 'General case' 0 C--N 1.302 -1.463 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 179.91 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 11.4 tm-20 -60.16 -40.83 91.26 Favored 'General case' 0 N--CA 1.487 1.414 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 178.783 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 12' ' ' HIS . . . . . 0.553 ' O ' ' N ' ' B' ' 16' ' ' HIS . 14.5 t60 -63.49 -47.29 82.37 Favored 'General case' 0 C--N 1.305 -1.338 0 O-C-N 121.283 -0.886 . . . . 0.0 109.976 179.762 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -59.93 -42.03 93.06 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.995 -1.066 . . . . 0.0 110.151 -178.765 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 24.2 mtpp -62.23 -34.52 76.67 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.588 -0.695 . . . . 0.0 112.604 -178.855 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -135.59 -8.88 2.17 Favored 'General case' 0 N--CA 1.514 2.733 0 O-C-N 120.776 -1.203 . . . . 0.0 112.712 -177.1 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.553 ' N ' ' O ' ' B' ' 12' ' ' HIS . 95.3 m-70 57.26 43.03 24.3 Favored 'General case' 0 N--CA 1.496 1.859 0 N-CA-C 107.356 -1.35 . . . . 0.0 107.356 -177.785 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 85.7 p -64.58 159.8 20.99 Favored 'General case' 0 C--N 1.306 -1.301 0 O-C-N 121.572 -0.705 . . . . 0.0 110.495 -178.917 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 -73.69 160.73 31.14 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 179.368 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 34.9 p-90 -59.22 -31.55 69.16 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.993 -1.067 . . . . 0.0 110.257 -179.276 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -62.61 -40.47 97.07 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.17 -0.956 . . . . 0.0 110.413 179.868 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.85 -48.8 65.11 Favored 'General case' 0 C--N 1.298 -1.672 0 O-C-N 121.219 -0.926 . . . . 0.0 110.15 -179.075 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 77.0 mtm -61.15 -39.78 91.36 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.099 -1.0 . . . . 0.0 109.12 179.402 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . 0.527 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -56.44 -46.87 80.1 Favored 'General case' 0 C--N 1.299 -1.622 0 C-N-CA 119.476 -0.89 . . . . 0.0 109.446 -179.602 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 23.3 t -69.92 -39.05 76.39 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.558 -0.714 . . . . 0.0 109.784 179.796 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -59.57 -39.2 83.3 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.547 -0.721 . . . . 0.0 110.403 -179.124 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -111.94 -0.36 15.81 Favored 'General case' 0 N--CA 1.504 2.253 0 O-C-N 121.446 -0.784 . . . . 0.0 110.038 179.796 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . 0.527 ' N ' ' O ' ' B' ' 23' ' ' ALA . 12.9 t-20 56.5 50.27 13.28 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.441 -0.787 . . . . 0.0 110.183 179.861 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 70.9 mt -118.77 150.37 48.27 Favored Pre-proline 0 N--CA 1.505 2.29 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 179.831 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_endo -59.82 148.72 87.18 Favored 'Trans proline' 0 N--CA 1.487 1.11 0 C-N-CA 121.381 1.388 . . . . 0.0 111.424 -179.918 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -43.67 -30.32 2.74 Favored 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 121.501 1.467 . . . . 0.0 111.226 179.768 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 37.3 t -52.52 -52.59 25.18 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.609 0 O-C-N 121.301 -0.875 . . . . 0.0 110.397 -178.678 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 97.6 t -67.95 -50.06 62.84 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.797 0 C-N-CA 118.857 -1.137 . . . . 0.0 109.869 -178.568 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.75 -44.92 94.95 Favored 'General case' 0 C--N 1.297 -1.698 0 O-C-N 121.264 -0.897 . . . . 0.0 110.473 -179.951 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 52.3 mtpt -60.69 -36.79 79.67 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 120.914 -1.116 . . . . 0.0 110.395 -179.826 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -61.05 -39.46 89.93 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.933 -1.104 . . . . 0.0 110.145 -179.76 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 13.5 mt -59.97 -40.66 83.65 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 120.976 -1.078 . . . . 0.0 109.003 179.783 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 78.5 t -63.38 -37.62 80.0 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 O-C-N 121.283 -0.886 . . . . 0.0 109.18 179.329 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . 0.478 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -61.62 -32.0 72.11 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.337 -0.852 . . . . 0.0 111.03 -179.541 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 50.4 m -80.72 -23.22 39.63 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.022 -1.049 . . . . 0.0 110.616 -179.093 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 43.1 t -86.15 108.4 18.3 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.145 -0.972 . . . . 0.0 110.601 -179.047 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . 0.427 ' C ' ' H ' ' B' ' 43' ' ' CYS . 89.0 m-20 -63.84 -29.15 70.37 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.527 -0.733 . . . . 0.0 109.156 178.975 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.96 9.59 1.13 Allowed 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.439 -0.788 . . . . 0.0 109.989 -179.458 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . 0.427 ' H ' ' C ' ' B' ' 41' ' ' ASP . 85.4 m -148.08 -34.15 0.23 Allowed 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.238 -0.913 . . . . 0.0 109.58 -179.713 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . 0.478 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 52.5 tt0 . . . . . 0 N--CA 1.493 1.704 0 O-C-N 121.103 -0.998 . . . . 0.0 109.81 179.906 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . 0.513 ' CE2' ' CE2' ' B' ' 1' ' ' PHE . 77.0 m-85 . . . . . 0 N--CA 1.487 1.413 0 CA-C-O 121.508 0.67 . . . . 0.0 109.477 . . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 22.9 mt -73.99 -42.72 59.99 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.424 -0.797 . . . . 0.0 110.687 -178.796 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 62.3 t0 -61.15 -49.73 76.04 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.151 -0.968 . . . . 0.0 111.239 -178.329 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.68 -44.65 89.09 Favored Glycine 0 N--CA 1.488 2.158 0 N-CA-C 109.989 -1.244 . . . . 0.0 109.989 -179.203 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.447 ' O ' ' N ' ' A' ' 9' ' ' GLN . 74.3 mt -60.17 -40.15 82.69 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.195 -1.179 . . . . 0.0 110.566 -179.606 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -56.81 -47.58 79.95 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.832 -1.168 . . . . 0.0 109.647 -179.202 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -68.79 -40.03 79.83 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.197 -0.939 . . . . 0.0 109.041 178.858 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.15 -36.77 77.76 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.274 -0.892 . . . . 0.0 109.778 179.719 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 5' ' ' ILE . 61.9 tt0 -57.07 -41.53 78.97 Favored 'General case' 0 C--N 1.302 -1.461 0 C-N-CA 119.385 -0.926 . . . . 0.0 109.404 -179.439 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 78.2 tt0 -61.53 -41.21 97.0 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 120.908 -1.12 . . . . 0.0 108.836 179.213 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 19.6 tp10 -61.52 -41.13 96.85 Favored 'General case' 0 N--CA 1.493 1.704 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 178.893 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.556 ' O ' ' N ' ' A' ' 16' ' ' HIS . 15.6 t60 -61.35 -49.81 75.45 Favored 'General case' 0 C--N 1.305 -1.362 0 CA-C-O 121.514 0.673 . . . . 0.0 109.846 179.38 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 31.6 tp10 -59.76 -40.57 88.61 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 121.176 -0.953 . . . . 0.0 110.112 -178.768 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.1 mtpp -60.56 -39.3 87.49 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.172 -0.955 . . . . 0.0 112.254 -178.663 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -133.68 -3.0 2.96 Favored 'General case' 0 N--CA 1.51 2.551 0 O-C-N 120.961 -1.087 . . . . 0.0 112.701 -176.967 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.556 ' N ' ' O ' ' A' ' 12' ' ' HIS . 93.6 m-70 54.45 46.85 24.12 Favored 'General case' 0 N--CA 1.498 1.966 0 N-CA-C 107.335 -1.357 . . . . 0.0 107.335 -177.613 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 96.7 p -66.26 154.64 39.34 Favored 'General case' 0 C--N 1.302 -1.473 0 CA-C-O 121.459 0.647 . . . . 0.0 110.121 -178.489 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -70.9 159.16 35.17 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.184 -0.948 . . . . 0.0 108.84 179.96 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 27.6 p-90 -58.21 -27.98 64.41 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.363 -0.835 . . . . 0.0 110.076 -179.187 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -64.48 -39.84 94.56 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.029 -1.045 . . . . 0.0 110.213 179.648 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.42 -45.17 69.81 Favored 'General case' 0 C--N 1.298 -1.644 0 O-C-N 121.26 -0.9 . . . . 0.0 109.835 -179.093 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 79.8 mtm -63.44 -39.98 95.93 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.137 -0.977 . . . . 0.0 109.628 -179.958 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.487 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -56.56 -46.6 80.63 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.317 -0.864 . . . . 0.0 109.601 -179.966 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 27.8 t -70.84 -38.21 73.2 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.375 -0.828 . . . . 0.0 110.161 179.931 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -60.08 -39.46 86.19 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.191 -0.943 . . . . 0.0 110.41 -179.343 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -112.6 2.66 16.29 Favored 'General case' 0 N--CA 1.502 2.165 0 O-C-N 121.305 -0.872 . . . . 0.0 109.761 -179.746 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.487 ' N ' ' O ' ' A' ' 23' ' ' ALA . 83.2 m-20 54.41 49.06 19.22 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.499 -0.751 . . . . 0.0 109.968 179.949 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 73.8 mt -117.78 151.62 48.86 Favored Pre-proline 0 N--CA 1.505 2.318 0 O-C-N 121.317 -0.864 . . . . 0.0 108.838 179.786 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_endo -60.32 161.33 20.35 Favored 'Trans proline' 0 N--CA 1.49 1.282 0 C-N-CA 121.702 1.601 . . . . 0.0 111.067 179.912 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_endo -54.77 -34.14 83.45 Favored 'Trans proline' 0 C--N 1.302 -1.886 0 C-N-CA 122.361 2.041 . . . . 0.0 111.613 179.846 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 95.4 t -54.27 -48.97 66.49 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.577 0 O-C-N 121.339 -0.85 . . . . 0.0 110.131 -178.79 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 68.6 t -68.05 -46.37 81.74 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.923 0 C-N-CA 118.239 -1.384 . . . . 0.0 109.48 -179.689 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.95 -45.14 86.97 Favored 'General case' 0 C--N 1.294 -1.812 0 C-N-CA 119.705 -0.798 . . . . 0.0 110.365 179.924 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.9 mtmm -62.7 -35.69 80.52 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 120.555 -1.341 . . . . 0.0 110.408 -179.505 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.8 tm-20 -59.9 -38.77 83.23 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.764 -1.21 . . . . 0.0 109.149 -179.359 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 21.4 mt -60.03 -40.24 82.62 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 120.834 -1.166 . . . . 0.0 108.396 179.49 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 97.0 t -62.86 -39.72 86.06 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.441 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 179.086 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.87 -30.52 71.58 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 179.508 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.3 m -79.46 -27.31 41.6 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.235 -0.916 . . . . 0.0 109.188 179.793 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 35.8 t -82.59 103.34 12.05 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.195 -0.941 . . . . 0.0 109.107 179.669 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -60.65 -29.52 69.32 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.275 -0.891 . . . . 0.0 110.699 -179.688 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 48.5 mtpt -70.41 -40.84 73.63 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.076 -1.015 . . . . 0.0 110.887 -178.768 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 81.4 m -85.99 -23.52 26.82 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.058 -1.026 . . . . 0.0 109.808 -179.911 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 . . . . . 0 N--CA 1.491 1.615 0 O-C-N 121.222 -0.924 . . . . 0.0 110.532 -178.588 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . 0.513 ' CE2' ' CE2' ' A' ' 1' ' ' PHE . 74.1 m-85 . . . . . 0 N--CA 1.488 1.453 0 CA-C-O 121.484 0.659 . . . . 0.0 109.729 . . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 17.0 mt -74.53 -41.7 60.15 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.153 -0.967 . . . . 0.0 110.859 -178.948 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -62.27 -49.81 74.2 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.319 -0.863 . . . . 0.0 111.308 -178.251 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.67 -45.66 82.6 Favored Glycine 0 N--CA 1.484 1.887 0 N-CA-C 109.759 -1.336 . . . . 0.0 109.759 -178.927 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 72.7 mt -59.3 -40.25 80.91 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.47 0 O-C-N 121.401 -1.058 . . . . 0.0 110.607 -179.572 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -57.0 -45.88 82.68 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.761 -1.212 . . . . 0.0 109.542 -178.99 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -70.41 -40.07 74.09 Favored 'General case' 0 C--N 1.303 -1.451 0 C-N-CA 119.189 -1.004 . . . . 0.0 108.814 179.032 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.16 -37.61 81.19 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.341 -0.849 . . . . 0.0 109.531 179.747 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -56.19 -42.45 77.16 Favored 'General case' 0 C--N 1.302 -1.469 0 C-N-CA 119.306 -0.958 . . . . 0.0 109.556 -179.802 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 79.4 tt0 -60.7 -41.48 95.26 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.985 -1.072 . . . . 0.0 108.734 179.304 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 19.1 tp10 -61.51 -41.0 96.65 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.035 -1.041 . . . . 0.0 108.385 178.92 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 12' ' ' HIS . . . . . 0.573 ' O ' ' N ' ' B' ' 16' ' ' HIS . 14.6 t60 -61.72 -48.81 79.05 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 119.807 -0.757 . . . . 0.0 109.869 179.229 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 31.0 tp10 -59.96 -40.67 89.81 Favored 'General case' 0 C--N 1.297 -1.702 0 O-C-N 121.029 -1.044 . . . . 0.0 109.931 -178.448 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 25.5 mtpp -60.76 -38.14 84.22 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.295 -0.878 . . . . 0.0 112.507 -178.701 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -135.19 -1.89 2.58 Favored 'General case' 0 N--CA 1.507 2.403 0 O-C-N 120.868 -1.145 . . . . 0.0 112.67 -176.641 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.573 ' N ' ' O ' ' B' ' 12' ' ' HIS . 92.8 m-70 54.19 42.83 31.34 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.557 -1.34 . . . . 0.0 107.605 -178.047 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 85.5 p -61.54 155.58 21.74 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.698 -0.626 . . . . 0.0 110.437 -178.781 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 68.8 m-20 -72.45 158.84 34.99 Favored 'General case' 0 N--CA 1.486 1.367 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 179.713 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 27.4 p-90 -57.88 -29.08 64.75 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.195 -0.941 . . . . 0.0 110.056 -179.231 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -62.74 -40.35 96.95 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.104 -0.998 . . . . 0.0 109.994 179.634 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.78 -47.06 64.29 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.29 -0.881 . . . . 0.0 109.773 -179.086 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 79.1 mtm -61.01 -39.71 90.8 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.94 -1.1 . . . . 0.0 109.804 179.793 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . 0.504 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -57.12 -47.34 81.35 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.179 -0.951 . . . . 0.0 109.54 -179.814 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 22.8 t -70.31 -36.99 74.67 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.328 -0.857 . . . . 0.0 110.137 179.75 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 60.0 t0 -60.83 -40.37 92.55 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.338 -0.851 . . . . 0.0 110.453 -179.304 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -111.66 2.68 17.39 Favored 'General case' 0 N--CA 1.504 2.253 0 O-C-N 121.326 -0.859 . . . . 0.0 109.957 179.899 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . 0.504 ' N ' ' O ' ' B' ' 23' ' ' ALA . 84.5 m-20 54.85 49.08 18.61 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.408 -0.807 . . . . 0.0 109.847 179.885 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 74.9 mt -117.67 150.83 47.58 Favored Pre-proline 0 N--CA 1.502 2.156 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 179.805 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -60.07 161.46 19.18 Favored 'Trans proline' 0 N--CA 1.491 1.35 0 C-N-CA 121.65 1.567 . . . . 0.0 110.999 179.69 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_endo -54.77 -34.26 83.96 Favored 'Trans proline' 0 C--N 1.303 -1.824 0 C-N-CA 122.412 2.075 . . . . 0.0 111.535 179.954 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 89.9 t -53.73 -49.92 54.48 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.741 0 O-C-N 121.289 -0.882 . . . . 0.0 109.789 -178.607 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 87.0 t -67.38 -47.39 81.13 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.986 0 C-N-CA 118.402 -1.319 . . . . 0.0 109.422 -179.188 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.19 -45.55 87.83 Favored 'General case' 0 C--N 1.298 -1.663 0 O-C-N 121.354 -0.841 . . . . 0.0 110.243 179.909 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 17.5 mtmm -61.89 -36.17 80.51 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 120.615 -1.303 . . . . 0.0 110.497 -179.458 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -59.63 -39.2 83.54 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.566 -1.334 . . . . 0.0 109.595 -179.517 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 21.6 mt -59.54 -39.76 80.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 120.807 -1.183 . . . . 0.0 107.855 179.674 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 87.9 t -63.79 -39.99 87.4 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.503 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 179.272 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . 0.525 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -61.96 -31.13 71.44 Favored 'General case' 0 C--N 1.299 -1.609 0 N-CA-C 108.62 -0.882 . . . . 0.0 108.62 179.177 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 7.4 m -78.44 -27.21 46.44 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.234 -0.916 . . . . 0.0 109.272 179.959 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 38.2 t -83.0 102.96 12.09 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.044 -1.035 . . . . 0.0 109.425 -179.937 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -60.55 -28.51 68.49 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.26 -0.9 . . . . 0.0 110.619 -179.787 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 48.3 mtpt -71.49 -41.58 69.13 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.114 -0.992 . . . . 0.0 110.802 -178.86 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 83.7 m -85.75 -23.72 27.18 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.912 -1.118 . . . . 0.0 109.867 -179.955 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . 0.525 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 6.8 tt0 . . . . . 0 N--CA 1.488 1.449 0 O-C-N 121.281 -0.887 . . . . 0.0 110.556 -178.703 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 . . . . . 0 N--CA 1.492 1.636 0 CA-C-O 121.287 0.565 . . . . 0.0 110.437 . . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 45.6 mt -70.61 -32.63 70.05 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.295 -0.878 . . . . 0.0 111.21 -177.763 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -63.75 -51.59 64.19 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.042 -1.036 . . . . 0.0 110.578 -178.196 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.44 -43.02 93.42 Favored Glycine 0 N--CA 1.488 2.118 0 N-CA-C 109.553 -1.419 . . . . 0.0 109.553 -179.897 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 80.3 mt -59.66 -39.98 81.02 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 O-C-N 121.413 -1.051 . . . . 0.0 110.306 -179.039 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -56.24 -46.0 79.78 Favored 'General case' 0 N--CA 1.49 1.568 0 C-N-CA 119.129 -1.028 . . . . 0.0 108.917 -179.318 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 60.0 mttp -70.0 -39.79 75.68 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 120.848 -1.158 . . . . 0.0 109.28 179.158 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.28 -38.41 81.67 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.588 -0.695 . . . . 0.0 109.489 -179.808 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -58.29 -39.97 80.71 Favored 'General case' 0 N--CA 1.485 1.285 0 O-C-N 121.237 -0.914 . . . . 0.0 109.835 -178.991 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 77.8 tt0 -63.13 -41.08 99.24 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.092 -1.005 . . . . 0.0 109.907 179.772 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.409 ' OE1' ' OG ' ' A' ' 17' ' ' SER . 14.3 tm-20 -60.9 -43.93 97.84 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.236 -0.915 . . . . 0.0 109.259 179.48 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.509 ' O ' ' N ' ' A' ' 16' ' ' HIS . 14.7 t60 -61.03 -42.63 98.83 Favored 'General case' 0 C--N 1.301 -1.508 0 C-N-CA 119.493 -0.883 . . . . 0.0 110.222 -179.729 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.4 tp10 -61.08 -42.77 99.13 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 120.574 -1.329 . . . . 0.0 110.574 -179.385 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -63.54 -38.94 93.04 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.816 -0.553 . . . . 0.0 112.356 -178.7 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 33.2 m-85 -131.63 -0.92 3.89 Favored 'General case' 0 N--CA 1.508 2.436 0 O-C-N 120.897 -1.127 . . . . 0.0 113.269 -176.629 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.509 ' N ' ' O ' ' A' ' 12' ' ' HIS . 92.7 m-70 52.09 41.78 30.15 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 120.177 -1.577 . . . . 0.0 107.219 -178.659 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.409 ' OG ' ' OE1' ' A' ' 11' ' ' GLU . 6.7 p -62.52 150.32 40.59 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.465 -0.772 . . . . 0.0 109.819 -178.449 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 28.1 m120 -68.81 152.96 44.63 Favored 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 108.164 -1.051 . . . . 0.0 108.164 179.746 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 46.4 p-90 -55.01 -30.14 58.85 Favored 'General case' 0 C--N 1.299 -1.616 0 C-N-CA 119.633 -0.827 . . . . 0.0 109.268 -178.591 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -62.77 -43.76 97.95 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 120.777 -1.202 . . . . 0.0 110.249 179.81 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.33 -44.92 70.67 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.623 -1.298 . . . . 0.0 108.94 179.734 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 21.8 mtp -61.71 -44.36 97.08 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.527 -0.733 . . . . 0.0 110.19 -179.879 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.51 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -58.26 -44.61 88.43 Favored 'General case' 0 C--N 1.296 -1.731 0 C-N-CA 118.996 -1.081 . . . . 0.0 109.04 179.457 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 51.0 m -68.97 -34.9 76.07 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.22 -0.925 . . . . 0.0 109.563 179.913 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -61.44 -41.35 97.05 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.33 -0.856 . . . . 0.0 110.092 -179.834 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -110.03 4.08 20.98 Favored 'General case' 0 N--CA 1.505 2.304 0 O-C-N 121.614 -0.679 . . . . 0.0 110.835 -179.689 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.51 ' N ' ' O ' ' A' ' 23' ' ' ALA . 70.0 m-20 53.82 46.81 24.99 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.372 -0.83 . . . . 0.0 110.779 179.312 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 79.1 mt -113.29 152.7 45.39 Favored Pre-proline 0 N--CA 1.512 2.66 0 O-C-N 121.352 -0.842 . . . . 0.0 108.841 -179.82 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_endo -62.01 161.3 26.51 Favored 'Trans proline' 0 N--CA 1.493 1.448 0 C-N-CA 121.622 1.548 . . . . 0.0 110.713 179.897 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo -55.84 -35.54 93.96 Favored 'Trans proline' 0 C--N 1.301 -1.959 0 C-N-CA 122.413 2.075 . . . . 0.0 111.742 -178.937 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 73.7 t -57.28 -49.57 79.52 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.717 0 O-C-N 120.782 -1.199 . . . . 0.0 110.571 -178.666 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 61.9 t -65.61 -48.27 83.24 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.736 0 O-C-N 120.394 -1.441 . . . . 0.0 109.083 -178.889 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.43 -44.27 83.38 Favored 'General case' 0 N--CA 1.494 1.733 0 C-N-CA 119.515 -0.874 . . . . 0.0 110.868 179.891 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 50.8 mtpt -63.12 -35.31 79.85 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.99 -1.069 . . . . 0.0 110.24 -179.598 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.3 tm-20 -61.54 -39.71 92.05 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 120.902 -1.124 . . . . 0.0 109.733 -178.857 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 92.8 mt -60.13 -38.91 78.88 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.43 0 O-C-N 120.921 -1.112 . . . . 0.0 108.323 179.77 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 64.2 t -63.58 -40.64 89.79 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 179.287 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.01 -30.22 69.01 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.406 -0.809 . . . . 0.0 108.964 179.64 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.6 m -78.34 -25.82 46.56 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.912 -1.118 . . . . 0.0 109.031 -179.968 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 41.9 t -81.06 101.36 9.54 Favored 'General case' 0 N--CA 1.491 1.582 0 N-CA-C 108.404 -0.962 . . . . 0.0 108.404 178.794 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -59.54 -31.12 69.12 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.337 -0.852 . . . . 0.0 111.222 -179.416 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -69.4 -40.32 77.41 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.127 -0.983 . . . . 0.0 111.133 -178.007 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 56.9 m -81.17 -24.88 37.24 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.974 -1.079 . . . . 0.0 109.726 179.904 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 54.6 tt0 . . . . . 0 N--CA 1.49 1.548 0 O-C-N 120.922 -1.111 . . . . 0.0 109.299 -179.269 . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 81.2 m-85 . . . . . 0 N--CA 1.488 1.429 0 CA-C-O 121.185 0.517 . . . . 0.0 110.325 . . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 40.7 mt -69.01 -35.39 76.61 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.057 -1.027 . . . . 0.0 111.176 -177.685 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 54.9 t0 -60.38 -52.47 65.12 Favored 'General case' 0 N--CA 1.502 2.143 0 O-C-N 120.581 -1.324 . . . . 0.0 110.658 -178.882 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.28 -43.45 95.21 Favored Glycine 0 N--CA 1.493 2.471 0 N-CA-C 109.431 -1.468 . . . . 0.0 109.431 -179.814 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 76.3 mt -59.69 -38.96 78.29 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.427 0 O-C-N 121.562 -0.963 . . . . 0.0 111.003 -179.45 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -58.06 -45.27 87.37 Favored 'General case' 0 C--N 1.299 -1.603 0 C-N-CA 118.475 -1.29 . . . . 0.0 108.829 -178.399 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 58.3 mttp -70.17 -39.67 75.16 Favored 'General case' 0 N--CA 1.487 1.406 0 C-N-CA 118.977 -1.089 . . . . 0.0 109.214 179.617 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.53 -40.55 85.08 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.356 -0.84 . . . . 0.0 109.402 179.904 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 57.9 tt0 -55.87 -40.83 73.49 Favored 'General case' 0 C--N 1.303 -1.423 0 C-N-CA 119.326 -0.949 . . . . 0.0 110.011 -178.513 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -62.4 -41.13 98.42 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.084 -1.01 . . . . 0.0 109.448 -179.91 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . 0.401 ' OE1' ' OG ' ' B' ' 17' ' ' SER . 13.7 tm-20 -61.17 -42.96 99.49 Favored 'General case' 0 C--N 1.305 -1.353 0 C-N-CA 119.59 -0.844 . . . . 0.0 109.127 179.155 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 12' ' ' HIS . . . . . 0.563 ' O ' ' N ' ' B' ' 16' ' ' HIS . 15.0 t60 -61.85 -44.7 96.3 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.137 -0.977 . . . . 0.0 110.134 -179.404 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 40.7 tp10 -60.31 -43.1 96.63 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.861 -1.15 . . . . 0.0 110.672 -179.503 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 49.4 mtmt -63.09 -36.3 83.13 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.16 -0.963 . . . . 0.0 112.458 -178.885 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 44.9 m-85 -133.96 -1.05 3.03 Favored 'General case' 0 N--CA 1.508 2.457 0 O-C-N 120.887 -1.133 . . . . 0.0 112.687 -176.618 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.563 ' N ' ' O ' ' B' ' 12' ' ' HIS . 92.4 m-70 52.03 42.01 30.15 Favored 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 107.351 -1.352 . . . . 0.0 107.351 -178.358 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 17' ' ' SER . . . . . 0.401 ' OG ' ' OE1' ' B' ' 11' ' ' GLU . 11.8 p -61.87 151.94 33.16 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.873 -0.517 . . . . 0.0 110.215 -178.405 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 28.3 m120 -70.71 150.7 45.67 Favored 'General case' 0 C--N 1.306 -1.29 0 C-N-CA 119.408 -0.917 . . . . 0.0 108.698 179.406 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 43.7 p-90 -52.23 -30.03 25.56 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.545 -0.722 . . . . 0.0 109.616 -179.504 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -62.99 -43.94 97.41 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 120.776 -1.202 . . . . 0.0 110.198 179.848 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.51 -44.64 70.63 Favored 'General case' 0 C--N 1.298 -1.663 0 O-C-N 120.917 -1.114 . . . . 0.0 108.878 -179.835 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 26.7 mtp -61.15 -43.56 98.68 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.671 -0.643 . . . . 0.0 109.937 179.985 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . 0.508 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -59.47 -43.46 93.24 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.003 -1.061 . . . . 0.0 109.269 179.603 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 45.6 m -70.16 -36.54 74.79 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.257 -0.902 . . . . 0.0 109.793 179.441 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 67.9 t0 -60.35 -41.64 94.07 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.482 -0.761 . . . . 0.0 110.0 -179.866 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -109.97 4.42 21.4 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.613 -0.679 . . . . 0.0 110.72 -179.773 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . 0.508 ' N ' ' O ' ' B' ' 23' ' ' ALA . 75.6 m-20 52.89 47.0 25.63 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.109 -0.995 . . . . 0.0 110.263 179.307 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 82.2 mt -113.21 151.88 44.64 Favored Pre-proline 0 N--CA 1.506 2.33 0 O-C-N 121.166 -0.959 . . . . 0.0 108.93 179.806 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_endo -59.88 161.7 17.97 Favored 'Trans proline' 0 N--CA 1.495 1.593 0 C-N-CA 121.766 1.644 . . . . 0.0 110.633 179.799 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 30' ' ' PRO . . . . . 0.473 ' O ' ' N ' ' B' ' 34' ' ' LYS . 14.9 Cg_endo -56.41 -37.95 96.16 Favored 'Trans proline' 0 C--N 1.301 -1.95 0 C-N-CA 122.413 2.076 . . . . 0.0 111.586 -179.338 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 96.8 t -55.53 -48.9 76.78 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.102 -0.999 . . . . 0.0 110.765 -178.565 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 78.4 t -66.84 -45.8 86.8 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.67 0 C-N-CA 117.804 -1.558 . . . . 0.0 108.933 -178.743 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.73 -45.75 70.71 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.075 -1.015 . . . . 0.0 110.451 179.709 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' B' ' 30' ' ' PRO . 52.1 mtpt -61.36 -33.95 74.49 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.149 -0.97 . . . . 0.0 110.641 -179.957 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . 0.417 ' OE1' ' C ' ' B' ' 35' ' ' GLU . 12.8 tm-20 -62.64 -39.73 94.78 Favored 'General case' 0 C--N 1.3 -1.558 0 C-N-CA 118.834 -1.146 . . . . 0.0 109.446 -179.149 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 86.3 mt -59.64 -38.58 76.34 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.539 0 O-C-N 121.055 -1.028 . . . . 0.0 108.433 179.554 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 58.2 t -63.89 -39.91 87.16 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 121.308 -0.87 . . . . 0.0 108.719 179.301 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . 0.504 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -61.18 -30.28 70.32 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.389 -0.819 . . . . 0.0 109.125 179.157 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 48.9 m -77.75 -24.82 48.93 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.314 -0.866 . . . . 0.0 108.955 179.933 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 41.7 t -82.15 100.98 10.14 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.103 -0.998 . . . . 0.0 108.527 178.965 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -60.39 -30.25 69.47 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.789 -1.194 . . . . 0.0 110.737 -179.311 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -69.95 -39.89 75.76 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 120.859 -1.151 . . . . 0.0 111.058 -178.839 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 58.2 m -82.74 -23.84 33.81 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.783 -1.198 . . . . 0.0 109.907 -179.898 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . 0.504 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 8.5 tt0 . . . . . 0 N--CA 1.492 1.642 0 O-C-N 121.16 -0.963 . . . . 0.0 109.51 -179.898 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 . . . . . 0 N--CA 1.489 1.489 0 CA-C-O 121.151 0.5 . . . . 0.0 109.796 . . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 20.3 mt -75.39 -42.08 54.72 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.431 -0.793 . . . . 0.0 111.06 -178.756 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -65.1 -49.42 70.06 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.287 -0.883 . . . . 0.0 111.097 -178.175 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.59 -47.48 86.57 Favored Glycine 0 N--CA 1.494 2.528 0 N-CA-C 110.18 -1.168 . . . . 0.0 110.18 -179.085 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 96.5 mt -59.79 -40.38 82.42 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.504 0 O-C-N 121.309 -1.113 . . . . 0.0 110.584 -179.878 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -51.95 -42.1 62.59 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 120.841 -1.162 . . . . 0.0 109.04 -179.377 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 48.0 mttm -70.65 -46.6 62.95 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.199 -0.938 . . . . 0.0 109.831 178.349 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.42 -34.31 77.99 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.683 -0.635 . . . . 0.0 109.673 179.921 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -59.06 -39.85 83.36 Favored 'General case' 0 C--N 1.306 -1.285 0 C-N-CA 119.445 -0.902 . . . . 0.0 108.807 -179.351 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 37.0 tp10 -62.34 -40.65 97.06 Favored 'General case' 0 N--CA 1.486 1.355 0 O-C-N 120.921 -1.112 . . . . 0.0 108.752 179.248 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -60.82 -39.9 90.71 Favored 'General case' 0 N--CA 1.486 1.328 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 179.705 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.562 ' O ' ' N ' ' A' ' 16' ' ' HIS . 17.3 t60 -61.55 -45.44 94.15 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 119.458 -0.897 . . . . 0.0 109.898 179.705 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -60.66 -43.51 97.57 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.127 -0.983 . . . . 0.0 110.239 -179.178 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 46.4 mtmt -60.73 -33.82 73.48 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 112.955 0.724 . . . . 0.0 112.955 -178.52 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -136.78 -5.68 1.94 Allowed 'General case' 0 N--CA 1.506 2.375 0 O-C-N 121.018 -1.051 . . . . 0.0 112.463 -177.096 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.562 ' N ' ' O ' ' A' ' 12' ' ' HIS . 89.9 m-70 54.73 42.43 31.21 Favored 'General case' 0 N--CA 1.496 1.869 0 N-CA-C 107.558 -1.275 . . . . 0.0 107.558 -177.621 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 91.3 p -65.87 154.8 38.23 Favored 'General case' 0 C--N 1.303 -1.44 0 CA-C-O 121.567 0.699 . . . . 0.0 110.697 -178.518 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -70.91 159.98 33.68 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.493 -0.755 . . . . 0.0 109.337 179.413 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 51.0 p-90 -57.29 -30.32 64.62 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.054 -1.029 . . . . 0.0 110.332 -179.779 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 83.4 mtm180 -62.69 -41.72 99.25 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.108 -0.995 . . . . 0.0 110.51 -179.818 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.13 -47.87 66.95 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.988 -1.07 . . . . 0.0 109.513 -179.371 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 78.1 mtm -60.83 -40.34 92.42 Favored 'General case' 0 C--N 1.301 -1.505 0 C-N-CA 119.546 -0.861 . . . . 0.0 109.662 179.548 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.49 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -57.81 -46.01 85.3 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.224 -0.923 . . . . 0.0 109.328 -179.672 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 28.9 t -69.99 -38.76 76.11 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.066 -1.021 . . . . 0.0 109.929 179.546 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 -59.89 -40.48 88.87 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.236 -0.915 . . . . 0.0 110.652 -178.861 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -109.11 0.31 19.77 Favored 'General case' 0 N--CA 1.502 2.128 0 O-C-N 121.492 -0.755 . . . . 0.0 110.007 -179.688 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.49 ' N ' ' O ' ' A' ' 23' ' ' ALA . 19.4 m120 54.82 47.13 23.05 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.457 -0.777 . . . . 0.0 109.369 179.765 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 40.9 mt -111.1 152.37 43.67 Favored Pre-proline 0 N--CA 1.5 2.04 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 179.747 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -60.33 160.87 21.81 Favored 'Trans proline' 0 C--N 1.312 -1.379 0 C-N-CA 121.615 1.543 . . . . 0.0 110.957 179.634 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -55.01 -34.7 87.95 Favored 'Trans proline' 0 C--N 1.301 -1.963 0 C-N-CA 122.439 2.093 . . . . 0.0 111.905 -179.69 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 63.5 t -56.61 -48.22 80.91 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.728 0 O-C-N 120.954 -1.091 . . . . 0.0 110.441 -178.713 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 61.8 t -67.77 -46.53 82.29 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.861 0 C-N-CA 118.53 -1.268 . . . . 0.0 109.152 -178.93 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.12 -46.91 75.89 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.393 -0.817 . . . . 0.0 110.037 179.728 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 37.2 mtmt -61.39 -35.32 77.17 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.768 -1.207 . . . . 0.0 110.381 179.731 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.4 tm-20 -60.25 -39.85 88.23 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.118 -0.988 . . . . 0.0 109.826 -178.954 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 45.3 mt -59.84 -39.78 80.9 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.446 0 O-C-N 121.19 -0.944 . . . . 0.0 108.938 -179.659 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 81.6 t -62.35 -38.21 80.62 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 O-C-N 121.026 -1.046 . . . . 0.0 108.724 179.355 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.5 -30.53 69.77 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.428 -0.795 . . . . 0.0 109.364 179.755 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 66.6 m -80.51 -27.58 37.67 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.3 -0.875 . . . . 0.0 110.183 -179.574 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 48.0 t -82.58 102.37 11.37 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 120.94 -1.1 . . . . 0.0 109.152 -179.89 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -60.41 -29.64 69.1 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.509 -0.744 . . . . 0.0 110.193 179.956 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -70.01 -40.64 75.12 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.034 -1.041 . . . . 0.0 110.689 -178.392 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 91.1 m -87.53 -23.37 24.4 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.001 -1.062 . . . . 0.0 109.916 179.827 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 . . . . . 0 N--CA 1.493 1.683 0 O-C-N 121.32 -0.863 . . . . 0.0 110.24 -179.54 . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 73.6 m-85 . . . . . 0 N--CA 1.485 1.314 0 CA-C-O 121.26 0.552 . . . . 0.0 109.724 . . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 23.3 mt -73.91 -42.48 60.58 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.256 -0.902 . . . . 0.0 111.075 -178.686 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -65.11 -49.18 70.98 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.009 -1.057 . . . . 0.0 111.153 -178.424 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.96 -48.21 82.47 Favored Glycine 0 N--CA 1.49 2.297 0 N-CA-C 110.244 -1.143 . . . . 0.0 110.244 -179.084 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . 0.411 ' O ' ' N ' ' B' ' 9' ' ' GLN . 96.3 mt -59.83 -39.96 81.36 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.562 0 O-C-N 121.322 -1.105 . . . . 0.0 110.738 -179.453 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -51.99 -42.28 62.84 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 120.842 -1.161 . . . . 0.0 108.725 -178.803 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 47.2 mttm -70.42 -46.3 64.21 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.216 -0.927 . . . . 0.0 109.609 178.672 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.28 -34.69 78.56 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.518 -0.739 . . . . 0.0 109.605 -179.726 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . 0.411 ' N ' ' O ' ' B' ' 5' ' ' ILE . 59.5 tt0 -58.52 -40.14 82.07 Favored 'General case' 0 C--N 1.3 -1.559 0 C-N-CA 119.416 -0.914 . . . . 0.0 108.843 -179.407 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 37.6 tp10 -62.05 -40.69 96.62 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 119.004 -1.079 . . . . 0.0 108.543 179.079 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -60.83 -39.91 90.79 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 179.528 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 12' ' ' HIS . . . . . 0.577 ' O ' ' N ' ' B' ' 16' ' ' HIS . 17.6 t60 -61.55 -46.18 90.99 Favored 'General case' 0 C--N 1.306 -1.306 0 C-N-CA 119.673 -0.811 . . . . 0.0 109.801 179.437 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -60.28 -43.52 96.16 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.326 -0.859 . . . . 0.0 110.356 -179.155 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 45.0 mtmt -60.46 -35.71 76.52 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.36 -0.838 . . . . 0.0 112.669 -178.63 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -134.66 -5.6 2.51 Favored 'General case' 0 N--CA 1.509 2.483 0 O-C-N 120.722 -1.236 . . . . 0.0 112.737 -177.032 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.577 ' N ' ' O ' ' B' ' 12' ' ' HIS . 89.0 m-70 55.2 41.23 31.66 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 120.593 -1.317 . . . . 0.0 107.519 -177.8 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 96.4 p -64.93 155.29 34.84 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.563 -0.711 . . . . 0.0 110.725 -178.248 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 -71.13 160.53 32.71 Favored 'General case' 0 N--CA 1.491 1.606 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 179.719 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 49.7 p-90 -57.68 -30.11 65.19 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.197 -0.94 . . . . 0.0 110.247 -179.811 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 82.8 mtm180 -63.06 -41.66 99.5 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.902 -1.124 . . . . 0.0 110.555 -179.797 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.0 -47.5 68.33 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.263 -0.898 . . . . 0.0 109.656 -179.449 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 78.7 mtm -61.62 -39.59 91.81 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.186 -0.947 . . . . 0.0 109.614 179.625 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . 0.485 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -57.79 -45.76 85.57 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.287 -0.883 . . . . 0.0 109.159 179.916 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 23.2 t -70.07 -38.79 75.82 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.296 -0.877 . . . . 0.0 109.885 179.918 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -60.33 -41.01 92.64 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.165 -0.96 . . . . 0.0 110.576 -178.917 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -108.14 0.1 21.38 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.367 -0.833 . . . . 0.0 110.017 -179.926 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . 0.485 ' N ' ' O ' ' B' ' 23' ' ' ALA . 18.6 m120 55.13 48.32 19.85 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.237 -0.914 . . . . 0.0 109.291 179.88 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 41.4 mt -112.21 152.47 44.45 Favored Pre-proline 0 N--CA 1.503 2.221 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 179.63 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -60.17 160.94 21.01 Favored 'Trans proline' 0 N--CA 1.49 1.303 0 C-N-CA 121.324 1.349 . . . . 0.0 110.949 179.448 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -55.6 -33.76 87.95 Favored 'Trans proline' 0 C--N 1.304 -1.786 0 C-N-CA 122.508 2.139 . . . . 0.0 112.169 -179.579 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 62.2 t -56.96 -48.52 81.46 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.762 0 O-C-N 120.821 -1.174 . . . . 0.0 110.211 -179.045 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 60.1 t -67.36 -47.14 82.03 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.874 0 C-N-CA 118.545 -1.262 . . . . 0.0 109.285 -178.776 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.26 -45.62 79.91 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.255 -0.903 . . . . 0.0 110.172 179.943 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 36.1 mtmt -61.77 -36.07 79.99 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.784 -1.198 . . . . 0.0 110.182 179.631 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 14.2 tm-20 -59.85 -39.93 86.83 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.011 -1.056 . . . . 0.0 110.188 -179.028 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 46.4 mt -59.94 -39.99 81.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.525 0 O-C-N 121.003 -1.061 . . . . 0.0 108.765 179.943 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 76.6 t -62.04 -37.93 79.57 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.201 -0.937 . . . . 0.0 108.855 178.943 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . 0.526 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -60.71 -31.83 71.1 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.539 -0.726 . . . . 0.0 109.702 179.694 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 66.1 m -79.58 -26.97 41.17 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.295 -0.878 . . . . 0.0 109.976 -179.437 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 49.7 t -82.73 102.58 11.63 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.754 -1.216 . . . . 0.0 109.413 179.844 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -60.84 -29.68 69.65 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.332 -0.855 . . . . 0.0 110.159 -179.858 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -69.54 -41.22 76.24 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.054 -1.029 . . . . 0.0 110.74 -178.669 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 86.7 m -87.26 -22.7 25.03 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.005 -1.06 . . . . 0.0 109.836 179.858 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . 0.526 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 7.2 tt0 . . . . . 0 N--CA 1.491 1.605 0 O-C-N 121.405 -0.81 . . . . 0.0 109.94 -179.394 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 56.7 m-85 . . . . . 0 N--CA 1.49 1.56 0 CA-C-O 121.476 0.655 . . . . 0.0 109.405 . . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 21.5 mt -70.03 -39.05 76.01 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.258 -0.901 . . . . 0.0 111.657 -178.187 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -61.3 -50.33 73.41 Favored 'General case' 0 C--N 1.298 -1.653 0 O-C-N 120.886 -1.134 . . . . 0.0 111.595 -177.052 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.26 -44.33 66.38 Favored Glycine 0 N--CA 1.494 2.53 0 N-CA-C 110.038 -1.225 . . . . 0.0 110.038 -179.014 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 88.7 mt -59.41 -39.18 78.45 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.642 0 O-C-N 121.889 -0.771 . . . . 0.0 110.189 -179.533 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 85.8 m-20 -56.55 -47.22 79.92 Favored 'General case' 0 C--N 1.3 -1.544 0 C-N-CA 118.315 -1.354 . . . . 0.0 108.478 -179.569 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -68.08 -45.44 73.76 Favored 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 119.375 -0.93 . . . . 0.0 109.113 179.061 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.83 -39.04 93.09 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.229 -0.919 . . . . 0.0 110.175 179.709 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -56.29 -40.62 74.59 Favored 'General case' 0 N--CA 1.485 1.275 0 O-C-N 121.491 -0.756 . . . . 0.0 109.753 -179.527 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 65.7 tt0 -60.12 -40.31 89.26 Favored 'General case' 0 N--CA 1.486 1.326 0 O-C-N 121.088 -1.007 . . . . 0.0 109.158 178.683 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 24.7 tp10 -60.23 -39.86 88.16 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 179.073 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.562 ' O ' ' N ' ' A' ' 16' ' ' HIS . 14.0 t60 -60.97 -48.17 83.07 Favored 'General case' 0 C--N 1.304 -1.397 0 C-N-CA 119.419 -0.912 . . . . 0.0 109.51 179.761 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -59.57 -41.39 90.1 Favored 'General case' 0 C--N 1.297 -1.712 0 O-C-N 121.076 -1.015 . . . . 0.0 110.374 -179.318 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt -60.88 -30.9 70.43 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.971 -1.081 . . . . 0.0 112.799 -179.012 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -140.28 -8.13 1.16 Allowed 'General case' 0 N--CA 1.513 2.721 0 O-C-N 120.66 -1.275 . . . . 0.0 112.869 -176.874 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.562 ' N ' ' O ' ' A' ' 12' ' ' HIS . 90.7 m-70 56.84 41.65 27.68 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 120.543 -1.348 . . . . 0.0 107.794 -177.025 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 88.5 p -61.36 159.06 13.19 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.427 -0.796 . . . . 0.0 110.686 -179.449 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -74.21 160.1 31.62 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.213 -0.929 . . . . 0.0 108.96 179.694 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 37.1 p-90 -57.19 -30.34 64.45 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 120.505 -1.372 . . . . 0.0 110.063 -179.503 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -63.5 -39.8 95.39 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.027 -1.046 . . . . 0.0 110.888 179.977 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.52 -49.82 56.7 Favored 'General case' 0 N--CA 1.486 1.375 0 O-C-N 120.987 -1.071 . . . . 0.0 108.641 -179.853 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 78.3 mtm -59.11 -41.27 87.77 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.172 -0.955 . . . . 0.0 109.329 179.377 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.511 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -58.41 -48.75 79.67 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.949 -1.094 . . . . 0.0 108.737 179.123 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 8.6 t -68.7 -36.82 78.97 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.144 -0.973 . . . . 0.0 110.465 179.767 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -60.28 -40.13 89.33 Favored 'General case' 0 N--CA 1.492 1.648 0 C-N-CA 118.898 -1.121 . . . . 0.0 110.593 -178.895 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -111.9 2.75 17.15 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.366 -0.834 . . . . 0.0 109.921 -179.471 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.511 ' N ' ' O ' ' A' ' 23' ' ' ALA . 86.9 m-20 56.36 45.28 23.11 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.46 -0.775 . . . . 0.0 110.501 179.973 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 48.6 mt -109.28 152.74 42.79 Favored Pre-proline 0 N--CA 1.503 2.209 0 O-C-N 121.354 -0.842 . . . . 0.0 108.996 179.695 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_endo -61.59 145.9 97.33 Favored 'Trans proline' 0 N--CA 1.496 1.621 0 C-N-CA 122.116 1.877 . . . . 0.0 111.462 179.739 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_exo -39.7 -38.19 1.66 Allowed 'Trans proline' 0 C--N 1.314 -1.261 0 C-N-CA 122.086 1.858 . . . . 0.0 112.82 -179.944 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 90.6 t -54.51 -49.32 66.92 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.899 0 O-C-N 120.822 -1.174 . . . . 0.0 110.734 -178.199 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 57.3 t -65.95 -46.22 88.93 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.08 0 C-N-CA 118.01 -1.476 . . . . 0.0 109.629 -178.978 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.45 -45.03 77.2 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.351 -0.843 . . . . 0.0 110.124 -179.758 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 43.7 mtmt -61.45 -36.44 80.41 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 120.646 -1.284 . . . . 0.0 110.331 179.834 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.4 tm-20 -60.1 -39.6 86.71 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 120.842 -1.161 . . . . 0.0 109.907 -179.459 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 90.0 mt -59.9 -39.73 80.86 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.295 0 O-C-N 120.595 -1.316 . . . . 0.0 109.336 179.644 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 78.6 t -61.52 -40.36 86.18 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 O-C-N 121.1 -1.0 . . . . 0.0 108.884 179.078 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.22 -35.87 74.4 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.988 -1.07 . . . . 0.0 109.742 -179.845 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 40.7 m -73.88 -27.08 60.88 Favored 'General case' 0 C--N 1.297 -1.701 0 C-N-CA 119.755 -0.778 . . . . 0.0 109.188 179.595 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 41.6 t -84.62 106.23 16.02 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.131 -0.981 . . . . 0.0 109.665 179.97 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 59.1 m-20 -62.1 -30.81 71.27 Favored 'General case' 0 N--CA 1.504 2.255 0 O-C-N 121.347 -0.846 . . . . 0.0 111.091 -179.403 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 65.6 mttp -69.88 -38.9 76.53 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 120.688 -1.257 . . . . 0.0 110.412 -178.942 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 88.5 m -89.27 -16.38 31.31 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.991 -1.068 . . . . 0.0 109.494 179.617 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 . . . . . 0 N--CA 1.497 1.893 0 O-C-N 120.714 -1.241 . . . . 0.0 109.358 179.835 . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 53.2 m-85 . . . . . 0 N--CA 1.493 1.693 0 CA-C-O 121.765 0.793 . . . . 0.0 109.255 . . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 24.6 mt -70.05 -36.96 75.4 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.098 -1.001 . . . . 0.0 112.096 -178.274 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -64.29 -49.14 72.98 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.606 -1.309 . . . . 0.0 110.959 -178.098 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.09 -46.29 59.13 Favored Glycine 0 N--CA 1.493 2.441 0 O-C-N 120.544 -1.348 . . . . 0.0 109.927 -179.374 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 97.0 mt -58.12 -39.45 72.93 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.499 0 O-C-N 121.471 -1.017 . . . . 0.0 110.468 -178.995 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -56.55 -46.7 80.56 Favored 'General case' 0 C--N 1.301 -1.517 0 C-N-CA 118.87 -1.132 . . . . 0.0 108.139 179.861 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 34.5 ttmt -69.41 -42.08 75.52 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.144 -0.972 . . . . 0.0 109.778 178.584 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.14 -36.03 82.05 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.684 -0.635 . . . . 0.0 109.734 179.555 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 -58.59 -40.4 83.09 Favored 'General case' 0 C--N 1.3 -1.544 0 C-N-CA 119.661 -0.816 . . . . 0.0 109.683 -179.597 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 73.1 tt0 -61.22 -39.96 92.23 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.582 -1.324 . . . . 0.0 109.034 179.027 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 27.1 tp10 -60.13 -39.43 86.22 Favored 'General case' 0 N--CA 1.494 1.76 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 179.184 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 12' ' ' HIS . . . . . 0.54 ' O ' ' N ' ' B' ' 16' ' ' HIS . 12.7 t60 -61.64 -46.32 90.29 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.353 -0.842 . . . . 0.0 109.702 179.43 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.51 -42.93 97.38 Favored 'General case' 0 C--N 1.298 -1.632 0 O-C-N 120.763 -1.21 . . . . 0.0 110.48 -179.98 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -60.44 -30.81 69.88 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.144 -0.973 . . . . 0.0 112.528 -179.023 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -140.44 -7.43 1.15 Allowed 'General case' 0 N--CA 1.511 2.582 0 O-C-N 120.292 -1.505 . . . . 0.0 112.904 -176.878 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.54 ' N ' ' O ' ' B' ' 12' ' ' HIS . 89.8 m-70 55.12 41.7 31.4 Favored 'General case' 0 N--CA 1.495 1.824 0 N-CA-C 107.335 -1.357 . . . . 0.0 107.335 -177.344 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 97.8 p -62.0 159.44 14.3 Favored 'General case' 0 C--N 1.309 -1.157 0 O-C-N 121.32 -0.862 . . . . 0.0 110.416 -178.67 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -74.11 160.5 31.14 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.119 -0.988 . . . . 0.0 109.128 179.724 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 35.7 p-90 -56.81 -30.5 63.79 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.943 -1.098 . . . . 0.0 110.242 -179.634 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -62.57 -40.33 96.5 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.723 -1.236 . . . . 0.0 110.433 179.867 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.51 -48.01 65.5 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 120.969 -1.082 . . . . 0.0 109.21 -179.845 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 78.7 mtm -61.37 -41.01 96.4 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.18 -0.95 . . . . 0.0 109.72 179.586 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -58.58 -47.21 85.05 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.387 -0.82 . . . . 0.0 109.086 179.363 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 16.1 t -70.67 -36.06 73.16 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.322 -0.861 . . . . 0.0 110.122 179.998 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 85.6 m-20 -60.6 -37.69 82.22 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.213 -0.93 . . . . 0.0 110.152 -178.362 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -114.82 3.5 14.65 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.548 -0.72 . . . . 0.0 110.036 -179.707 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . 0.462 ' N ' ' O ' ' B' ' 23' ' ' ALA . 87.4 m-20 54.64 45.34 27.03 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.437 -0.789 . . . . 0.0 110.201 -179.623 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 69.2 mt -108.84 152.67 42.45 Favored Pre-proline 0 N--CA 1.506 2.346 0 O-C-N 121.396 -0.815 . . . . 0.0 109.12 179.535 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -62.09 147.73 94.53 Favored 'Trans proline' 0 N--CA 1.494 1.557 0 C-N-CA 121.778 1.652 . . . . 0.0 111.256 -179.946 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_exo -41.71 -38.02 4.18 Favored 'Trans proline' 0 C--N 1.312 -1.354 0 C-N-CA 122.57 2.18 . . . . 0.0 112.62 -179.847 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 84.3 t -54.73 -47.31 73.85 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.809 0 O-C-N 121.353 -0.842 . . . . 0.0 111.04 -178.045 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 60.5 t -67.21 -48.27 78.94 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.077 0 C-N-CA 118.389 -1.325 . . . . 0.0 109.136 -179.439 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.4 -45.65 83.13 Favored 'General case' 0 N--CA 1.493 1.678 0 C-N-CA 120.24 -0.584 . . . . 0.0 110.314 179.867 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 44.0 mtmt -61.81 -35.04 77.03 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 120.854 -1.154 . . . . 0.0 110.031 -179.91 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 14.7 tm-20 -61.23 -38.0 85.06 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 120.915 -1.116 . . . . 0.0 110.571 -178.84 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 89.6 mt -61.35 -39.5 82.96 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.441 0 O-C-N 120.828 -1.17 . . . . 0.0 108.24 -179.408 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 72.5 t -61.34 -38.98 81.15 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.611 0 O-C-N 121.295 -0.878 . . . . 0.0 109.542 178.754 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . 0.5 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -59.52 -36.72 76.65 Favored 'General case' 0 C--N 1.297 -1.677 0 O-C-N 121.216 -0.928 . . . . 0.0 109.172 -179.988 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 39.4 m -72.1 -28.85 63.57 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.467 -0.77 . . . . 0.0 110.122 179.851 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 37.6 t -84.42 104.69 14.65 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.159 -0.963 . . . . 0.0 109.739 -179.734 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -60.34 -30.71 69.7 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.308 -0.87 . . . . 0.0 111.403 -179.68 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 65.0 mttp -68.56 -40.78 80.48 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.007 -1.058 . . . . 0.0 110.835 -178.883 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 90.0 m -88.19 -14.91 37.39 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.973 -1.08 . . . . 0.0 110.154 179.671 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . 0.5 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 25.5 tt0 . . . . . 0 N--CA 1.493 1.676 0 O-C-N 120.936 -1.102 . . . . 0.0 108.913 -179.739 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 . . . . . 0 N--CA 1.493 1.701 0 CA-C-O 121.57 0.7 . . . . 0.0 109.534 . . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 25.2 mt -73.37 -22.44 60.27 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.551 -0.718 . . . . 0.0 111.829 -178.113 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 85.8 m-20 -63.35 -59.29 4.89 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.515 -1.366 . . . . 0.0 111.307 -178.553 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.43 -41.31 96.48 Favored Glycine 0 N--CA 1.492 2.427 0 C-N-CA 119.717 -1.23 . . . . 0.0 110.063 -179.375 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.463 ' O ' ' N ' ' A' ' 9' ' ' GLN . 96.4 mt -59.7 -40.42 82.32 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.525 0 O-C-N 121.327 -1.102 . . . . 0.0 110.506 -179.292 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 47.0 t0 -56.48 -44.77 80.96 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 120.935 -1.103 . . . . 0.0 108.582 -179.915 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -70.09 -43.19 71.6 Favored 'General case' 0 N--CA 1.49 1.55 0 C-N-CA 119.162 -1.015 . . . . 0.0 108.948 178.497 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.69 -35.01 79.53 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.035 -1.041 . . . . 0.0 109.564 179.582 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.463 ' N ' ' O ' ' A' ' 5' ' ' ILE . 54.2 tt0 -58.57 -40.0 81.85 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.213 -0.93 . . . . 0.0 109.397 -179.216 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -60.55 -40.33 91.17 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 119.198 -1.001 . . . . 0.0 108.812 179.181 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 21.2 tp10 -60.02 -40.34 88.95 Favored 'General case' 0 N--CA 1.486 1.364 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 179.449 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.563 ' O ' ' N ' ' A' ' 16' ' ' HIS . 17.2 t60 -60.24 -45.66 92.46 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 121.081 -1.012 . . . . 0.0 109.757 179.359 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -61.02 -42.37 98.34 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.272 -0.893 . . . . 0.0 110.332 -179.167 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -62.0 -30.07 70.7 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.39 -0.818 . . . . 0.0 112.644 -178.378 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -140.24 -7.06 1.19 Allowed 'General case' 0 N--CA 1.508 2.444 0 O-C-N 120.651 -1.281 . . . . 0.0 112.475 -177.028 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.563 ' N ' ' O ' ' A' ' 12' ' ' HIS . 84.1 m-70 54.54 39.8 31.39 Favored 'General case' 0 N--CA 1.493 1.714 0 N-CA-C 107.505 -1.295 . . . . 0.0 107.505 -177.217 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 86.0 p -65.24 157.86 27.78 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.462 -0.774 . . . . 0.0 110.648 -178.538 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -71.93 160.03 33.24 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.582 -0.699 . . . . 0.0 109.482 179.802 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 50.9 p-90 -58.87 -29.57 67.09 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.281 -0.887 . . . . 0.0 110.017 -179.647 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 61.2 mtp180 -62.73 -39.86 95.39 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.03 -1.043 . . . . 0.0 109.847 179.559 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.82 -49.41 52.86 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.128 -0.982 . . . . 0.0 109.254 179.932 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 77.7 mtm -61.35 -39.89 92.26 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.227 -0.921 . . . . 0.0 109.573 179.785 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.92 -49.26 77.37 Favored 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 119.347 -0.941 . . . . 0.0 109.443 179.872 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 16.5 m -70.73 -34.83 72.3 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.317 -0.864 . . . . 0.0 109.918 179.952 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 56.9 t0 -60.34 -44.76 95.23 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.178 -0.951 . . . . 0.0 110.831 -178.965 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -105.98 0.43 25.71 Favored 'General case' 0 N--CA 1.503 2.203 0 O-C-N 121.17 -0.956 . . . . 0.0 109.623 179.877 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 51.8 t30 59.75 49.31 8.24 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.433 -0.792 . . . . 0.0 109.958 179.588 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 51.9 mt -113.61 152.36 45.36 Favored Pre-proline 0 N--CA 1.5 2.029 0 O-C-N 121.145 -0.972 . . . . 0.0 108.688 179.755 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_endo -60.81 163.28 16.37 Favored 'Trans proline' 0 N--CA 1.492 1.406 0 C-N-CA 121.752 1.635 . . . . 0.0 110.954 179.245 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.401 ' O ' ' N ' ' A' ' 34' ' ' LYS . 19.5 Cg_endo -56.5 -37.11 97.97 Favored 'Trans proline' 0 C--N 1.302 -1.881 0 C-N-CA 122.45 2.1 . . . . 0.0 112.909 -179.464 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 91.2 t -57.59 -45.65 86.31 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.037 -1.039 . . . . 0.0 110.232 -178.839 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 44.9 t -68.36 -48.57 72.41 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.782 0 C-N-CA 118.492 -1.283 . . . . 0.0 109.018 -179.48 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.68 -47.98 73.62 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.336 -0.853 . . . . 0.0 110.319 179.964 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.401 ' N ' ' O ' ' A' ' 30' ' ' PRO . 95.1 mttt -60.99 -34.17 74.37 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.111 -0.993 . . . . 0.0 110.141 -179.879 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.9 tm-20 -62.13 -38.34 88.58 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 120.861 -1.15 . . . . 0.0 110.065 -179.766 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 83.3 mt -59.64 -40.11 81.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 120.9 -1.125 . . . . 0.0 108.803 -179.683 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 88.9 t -62.88 -39.89 86.73 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.082 -1.011 . . . . 0.0 108.645 179.598 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.23 -31.07 69.83 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.564 -0.71 . . . . 0.0 109.279 179.573 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.1 m -76.87 -30.08 56.09 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 121.36 -0.837 . . . . 0.0 109.325 -179.814 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 46.3 t -81.9 101.95 10.56 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.288 -0.883 . . . . 0.0 109.242 179.968 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -60.08 -29.79 68.8 Favored 'General case' 0 C--N 1.297 -1.683 0 O-C-N 121.465 -0.772 . . . . 0.0 109.879 179.644 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -70.56 -43.87 68.6 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.03 -1.044 . . . . 0.0 111.204 -179.215 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 90.8 m -82.59 -22.97 34.62 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 120.722 -1.236 . . . . 0.0 109.71 -179.889 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 . . . . . 0 C--N 1.301 -1.523 0 O-C-N 121.241 -0.912 . . . . 0.0 108.835 -179.746 . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 . . . . . 0 N--CA 1.493 1.698 0 CA-C-O 121.431 0.634 . . . . 0.0 109.771 . . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 27.1 mt -73.61 -20.87 60.48 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.536 -0.728 . . . . 0.0 111.943 -178.105 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -64.92 -59.0 4.67 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 120.349 -1.469 . . . . 0.0 111.01 -178.292 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.52 -40.51 96.18 Favored Glycine 0 N--CA 1.495 2.567 0 C-N-CA 119.688 -1.244 . . . . 0.0 110.236 -179.483 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 96.5 mt -60.33 -40.7 84.71 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.18 -1.188 . . . . 0.0 110.497 -179.241 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -56.3 -45.05 80.39 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 120.98 -1.075 . . . . 0.0 108.658 179.99 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -69.95 -42.9 72.6 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.025 -1.047 . . . . 0.0 108.864 178.805 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.3 -35.63 80.88 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.4 -0.812 . . . . 0.0 109.765 179.695 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 57.7 tt0 -57.58 -40.5 79.15 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 119.588 -0.845 . . . . 0.0 109.072 -179.391 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -60.28 -40.38 90.2 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 119.054 -1.058 . . . . 0.0 108.71 179.265 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 20.9 tp10 -59.87 -40.41 88.56 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 119.423 -0.911 . . . . 0.0 108.566 179.582 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 12' ' ' HIS . . . . . 0.556 ' O ' ' N ' ' B' ' 16' ' ' HIS . 19.0 t60 -60.37 -45.16 94.51 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.152 -0.968 . . . . 0.0 109.877 179.453 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -60.83 -42.34 97.54 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.394 -0.816 . . . . 0.0 110.327 -179.376 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 57.1 mtpt -62.79 -30.09 71.2 Favored 'General case' 0 C--N 1.298 -1.672 0 N-CA-C 112.863 0.69 . . . . 0.0 112.863 -178.118 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -139.91 -6.06 1.29 Allowed 'General case' 0 N--CA 1.506 2.372 0 O-C-N 120.603 -1.311 . . . . 0.0 112.293 -177.05 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.556 ' N ' ' O ' ' B' ' 12' ' ' HIS . 82.7 m-70 53.17 39.93 30.44 Favored 'General case' 0 N--CA 1.493 1.708 0 N-CA-C 107.317 -1.364 . . . . 0.0 107.317 -177.34 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 97.0 p -65.23 158.41 26.26 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.424 -0.797 . . . . 0.0 110.712 -178.707 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -72.64 160.46 32.2 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.337 -0.852 . . . . 0.0 109.425 179.777 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 52.3 p-90 -58.69 -30.07 67.12 Favored 'General case' 0 C--N 1.303 -1.415 0 C-N-CA 119.55 -0.86 . . . . 0.0 109.952 -179.794 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 60.3 mtp180 -62.53 -40.01 95.39 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.016 -1.053 . . . . 0.0 109.756 179.917 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.27 -49.5 55.51 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.24 -0.912 . . . . 0.0 109.277 179.691 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 77.8 mtm -61.72 -39.79 92.78 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.313 -0.867 . . . . 0.0 109.667 179.615 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.93 -49.22 77.5 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 119.233 -0.987 . . . . 0.0 109.137 -179.914 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 15.6 m -70.81 -34.44 71.73 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.253 -0.905 . . . . 0.0 110.113 179.933 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 55.2 t0 -60.32 -46.06 91.23 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.175 -0.953 . . . . 0.0 110.499 -178.988 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -104.96 0.7 28.03 Favored 'General case' 0 N--CA 1.502 2.17 0 O-C-N 121.276 -0.89 . . . . 0.0 110.055 179.961 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 50.7 t30 59.5 49.92 8.05 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.341 -0.849 . . . . 0.0 109.848 179.513 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 53.9 mt -114.12 151.99 45.43 Favored Pre-proline 0 N--CA 1.502 2.166 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 179.711 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 27.2 Cg_endo -60.96 163.24 16.84 Favored 'Trans proline' 0 N--CA 1.49 1.301 0 C-N-CA 121.795 1.663 . . . . 0.0 110.858 179.295 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -56.37 -37.16 97.51 Favored 'Trans proline' 0 C--N 1.3 -2.009 0 C-N-CA 122.485 2.123 . . . . 0.0 112.489 -179.251 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 95.9 t -57.78 -45.45 87.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 120.913 -1.117 . . . . 0.0 110.369 -178.7 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 45.1 t -68.65 -47.58 76.02 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.71 0 C-N-CA 118.264 -1.374 . . . . 0.0 109.1 -179.242 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.95 -47.33 71.96 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.403 -0.811 . . . . 0.0 110.198 179.739 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -60.85 -34.85 75.22 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.801 -1.187 . . . . 0.0 110.32 179.847 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.1 tm-20 -61.13 -38.91 88.09 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 120.997 -1.064 . . . . 0.0 110.083 -179.978 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 84.8 mt -59.36 -40.36 81.32 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 120.985 -1.072 . . . . 0.0 109.205 -179.859 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 86.6 t -62.7 -39.72 85.8 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.478 0 C-N-CA 119.21 -0.996 . . . . 0.0 108.584 179.64 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . 0.524 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -60.37 -30.72 69.75 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.528 -0.732 . . . . 0.0 109.193 179.511 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 17.0 m -77.3 -29.79 53.84 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.401 -0.812 . . . . 0.0 109.169 -179.607 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 44.3 t -82.56 102.25 11.28 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.306 -0.871 . . . . 0.0 109.43 -179.939 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -60.83 -28.6 68.93 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.496 -0.753 . . . . 0.0 109.822 -179.857 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -71.79 -42.7 66.8 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.177 -0.952 . . . . 0.0 110.875 -178.837 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 87.1 m -83.09 -23.44 33.08 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 120.742 -1.224 . . . . 0.0 109.645 179.684 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . 0.524 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 6.8 tt0 . . . . . 0 C--N 1.303 -1.422 0 O-C-N 121.415 -0.803 . . . . 0.0 109.057 -179.686 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 76.9 m-85 . . . . . 0 N--CA 1.493 1.707 0 CA-C-O 121.627 0.727 . . . . 0.0 109.679 . . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 15.2 mt -72.92 -27.22 61.74 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 121.341 -0.85 . . . . 0.0 111.081 -178.258 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 0.516 ' OD1' ' N ' ' A' ' 3' ' ' ASP . 18.3 p-10 -69.44 -61.79 1.64 Allowed 'General case' 0 N--CA 1.496 1.847 0 O-C-N 120.805 -1.185 . . . . 0.0 111.542 -178.302 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.464 ' H ' ' CG ' ' A' ' 3' ' ' ASP . . . -60.13 -40.77 97.63 Favored Glycine 0 N--CA 1.495 2.591 0 C-N-CA 119.886 -1.149 . . . . 0.0 110.446 -178.773 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 96.4 mt -59.75 -39.36 79.55 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 O-C-N 121.199 -1.177 . . . . 0.0 109.729 -179.976 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 51.7 t0 -54.15 -47.16 72.25 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 120.76 -1.212 . . . . 0.0 108.463 -179.345 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 64.8 mttm -68.59 -43.62 76.09 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.199 -0.938 . . . . 0.0 109.761 178.972 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.94 -37.38 85.88 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.266 -0.896 . . . . 0.0 109.754 -179.892 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -57.8 -40.14 79.19 Favored 'General case' 0 C--N 1.305 -1.353 0 C-N-CA 119.365 -0.934 . . . . 0.0 109.263 -179.137 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -61.92 -42.22 98.84 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.176 -0.952 . . . . 0.0 109.011 178.521 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 25.3 tp10 -59.65 -40.86 89.1 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 179.44 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.555 ' O ' ' N ' ' A' ' 16' ' ' HIS . 13.0 t60 -60.44 -47.98 83.77 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.268 -0.895 . . . . 0.0 109.489 179.455 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -59.99 -40.41 89.06 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.979 -1.076 . . . . 0.0 110.08 -179.913 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.3 mtpp -62.06 -37.27 84.36 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.193 -0.942 . . . . 0.0 112.628 -178.98 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -135.2 -3.12 2.47 Favored 'General case' 0 N--CA 1.51 2.533 0 O-C-N 120.883 -1.136 . . . . 0.0 112.61 -177.069 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.555 ' N ' ' O ' ' A' ' 12' ' ' HIS . 89.6 m-70 53.78 40.68 31.79 Favored 'General case' 0 N--CA 1.495 1.824 0 N-CA-C 107.331 -1.359 . . . . 0.0 107.331 -177.649 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 78.3 p -62.51 158.0 18.98 Favored 'General case' 0 C--N 1.302 -1.478 0 CA-C-O 121.357 0.598 . . . . 0.0 110.509 -178.888 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 28.0 m120 -73.43 157.55 36.65 Favored 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 179.816 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 31.2 p-90 -57.6 -29.72 64.73 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.158 -0.964 . . . . 0.0 110.102 -179.33 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -62.91 -39.68 95.28 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.128 -0.983 . . . . 0.0 109.975 179.557 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.19 -49.7 54.21 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.356 -0.84 . . . . 0.0 109.6 -179.592 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 77.6 mtm -60.16 -39.49 86.61 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.224 -0.922 . . . . 0.0 109.379 179.062 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -58.38 -49.39 77.4 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.29 -0.881 . . . . 0.0 109.132 -179.923 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 21.6 t -70.33 -34.29 72.5 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.473 -0.767 . . . . 0.0 109.71 179.291 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 57.8 t0 -60.22 -42.41 95.1 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.223 -0.923 . . . . 0.0 110.466 -179.211 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -111.19 4.08 18.96 Favored 'General case' 0 N--CA 1.502 2.152 0 O-C-N 121.431 -0.793 . . . . 0.0 109.925 -179.867 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.433 ' N ' ' O ' ' A' ' 23' ' ' ALA . 13.2 m120 56.89 43.29 25.07 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.238 -0.913 . . . . 0.0 110.105 -179.95 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 86.8 mt -108.19 152.49 41.88 Favored Pre-proline 0 N--CA 1.5 2.025 0 O-C-N 121.319 -0.863 . . . . 0.0 109.105 -179.936 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_endo -62.48 150.35 87.77 Favored 'Trans proline' 0 N--CA 1.493 1.462 0 C-N-CA 121.858 1.706 . . . . 0.0 111.532 -179.813 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -44.32 -37.16 10.06 Favored 'Trans proline' 0 C--N 1.309 -1.52 0 C-N-CA 121.494 1.463 . . . . 0.0 111.647 -179.92 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 49.9 t -52.78 -51.39 36.68 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.638 0 C-N-CA 119.657 -0.817 . . . . 0.0 110.739 -178.279 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 61.6 t -64.86 -46.81 90.76 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.958 0 C-N-CA 118.324 -1.35 . . . . 0.0 109.942 -178.452 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.97 -45.85 76.44 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.142 -0.974 . . . . 0.0 110.293 179.981 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -60.8 -36.06 78.06 Favored 'General case' 0 C--N 1.302 -1.496 0 C-N-CA 119.273 -0.971 . . . . 0.0 110.205 -179.334 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -61.35 -38.57 87.42 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 120.991 -1.068 . . . . 0.0 109.835 -179.619 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 81.7 mt -60.92 -39.72 82.98 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.451 0 O-C-N 120.825 -1.172 . . . . 0.0 109.845 -179.893 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 85.9 t -62.35 -39.93 86.02 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.603 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 179.888 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.05 -30.25 69.07 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.475 -0.765 . . . . 0.0 109.379 179.841 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 63.9 m -77.17 -28.93 54.25 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.356 -0.84 . . . . 0.0 109.212 -179.762 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 42.7 t -81.76 104.08 11.9 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.53 -0.731 . . . . 0.0 109.403 179.769 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -62.0 -28.98 69.95 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.223 -0.923 . . . . 0.0 110.311 -179.842 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 81.2 mttt -70.09 -40.68 74.82 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.157 -0.964 . . . . 0.0 110.671 -177.987 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 66.2 m -83.26 -28.05 29.44 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.046 -1.034 . . . . 0.0 109.697 179.977 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.472 ' NE2' ' OE1' ' B' ' 44' ' ' GLN . 57.2 tt0 . . . . . 0 N--CA 1.487 1.411 0 O-C-N 121.197 -0.94 . . . . 0.0 109.086 179.986 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . 0.409 ' O ' ' CD1' ' B' ' 5' ' ' ILE . 77.0 m-85 . . . . . 0 N--CA 1.491 1.606 0 CA-C-O 121.558 0.694 . . . . 0.0 109.71 . . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 16.6 mt -73.04 -27.97 62.06 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.52 -0.737 . . . . 0.0 111.747 -178.106 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . 0.515 ' OD1' ' N ' ' B' ' 3' ' ' ASP . 17.2 p-10 -70.0 -61.26 1.85 Allowed 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.572 -1.33 . . . . 0.0 111.016 -178.395 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 4' ' ' GLY . . . . . 0.472 ' H ' ' CG ' ' B' ' 3' ' ' ASP . . . -58.5 -43.08 96.15 Favored Glycine 0 N--CA 1.493 2.474 0 N-CA-C 110.104 -1.198 . . . . 0.0 110.104 -178.992 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . 0.414 ' O ' ' N ' ' B' ' 9' ' ' GLN . 97.8 mt -58.81 -38.87 75.17 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.562 0 O-C-N 121.441 -1.035 . . . . 0.0 110.386 -179.935 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 49.1 t0 -54.42 -47.16 73.13 Favored 'General case' 0 C--N 1.304 -1.411 0 C-N-CA 118.412 -1.315 . . . . 0.0 108.54 -179.461 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -68.11 -44.1 76.93 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 119.414 -0.914 . . . . 0.0 109.602 179.258 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.11 -36.48 83.26 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.353 -0.842 . . . . 0.0 109.797 -179.835 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . 0.414 ' N ' ' O ' ' B' ' 5' ' ' ILE . 51.1 tt0 -58.82 -40.34 83.84 Favored 'General case' 0 C--N 1.305 -1.328 0 O-C-N 121.235 -0.916 . . . . 0.0 109.033 -179.382 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -61.25 -41.76 97.46 Favored 'General case' 0 C--N 1.302 -1.457 0 C-N-CA 118.984 -1.086 . . . . 0.0 108.812 178.665 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 25.0 tp10 -60.4 -40.07 89.64 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.244 -0.91 . . . . 0.0 109.193 179.705 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 12' ' ' HIS . . . . . 0.574 ' O ' ' N ' ' B' ' 16' ' ' HIS . 13.0 t60 -61.03 -47.29 87.09 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 119.29 -0.964 . . . . 0.0 109.066 179.472 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -59.8 -40.84 89.69 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.1 -1.0 . . . . 0.0 109.971 -179.86 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp -62.33 -36.41 82.1 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.316 -0.865 . . . . 0.0 112.532 -178.609 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -135.78 -2.67 2.36 Favored 'General case' 0 N--CA 1.509 2.499 0 O-C-N 120.678 -1.264 . . . . 0.0 112.732 -177.547 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.574 ' N ' ' O ' ' B' ' 12' ' ' HIS . 90.1 m-70 53.98 40.7 31.87 Favored 'General case' 0 N--CA 1.497 1.905 0 N-CA-C 107.209 -1.404 . . . . 0.0 107.209 -177.048 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 83.1 p -63.57 158.78 20.26 Favored 'General case' 0 C--N 1.303 -1.417 0 CA-C-O 121.504 0.669 . . . . 0.0 110.69 -178.303 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 27.2 m120 -73.61 157.39 36.73 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.748 -0.595 . . . . 0.0 109.65 -179.819 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 27.9 p-90 -57.72 -30.22 65.35 Favored 'General case' 0 C--N 1.301 -1.508 0 C-N-CA 119.485 -0.886 . . . . 0.0 109.814 -179.601 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -62.85 -39.57 94.78 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.236 -0.915 . . . . 0.0 109.677 179.439 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.68 -50.36 51.64 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.106 -0.996 . . . . 0.0 109.762 -179.908 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 77.3 mtm -60.05 -38.93 84.26 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.151 -0.968 . . . . 0.0 109.559 178.948 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . 0.405 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -59.64 -49.16 78.82 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.304 -0.872 . . . . 0.0 108.844 -179.57 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 12.7 t -70.47 -33.39 71.21 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.728 -0.607 . . . . 0.0 109.834 179.613 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 59.9 t0 -60.66 -44.05 96.9 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.414 -0.804 . . . . 0.0 110.371 -179.116 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -109.62 3.85 21.49 Favored 'General case' 0 N--CA 1.504 2.227 0 O-C-N 121.615 -0.678 . . . . 0.0 110.184 -179.462 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . 0.405 ' N ' ' O ' ' B' ' 23' ' ' ALA . 13.7 m120 56.17 45.45 23.29 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.405 -0.809 . . . . 0.0 109.682 -179.658 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 91.2 mt -110.24 150.88 42.15 Favored Pre-proline 0 N--CA 1.498 1.966 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 179.545 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -60.54 152.28 69.37 Favored 'Trans proline' 0 N--CA 1.489 1.222 0 C-N-CA 121.728 1.619 . . . . 0.0 111.247 -179.844 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_exo -45.44 -37.97 15.27 Favored 'Trans proline' 0 C--N 1.313 -1.327 0 C-N-CA 121.821 1.681 . . . . 0.0 111.851 179.413 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 60.0 t -52.24 -49.52 40.74 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.813 0 O-C-N 121.446 -0.784 . . . . 0.0 110.657 -178.043 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 58.6 t -67.32 -47.36 81.43 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.922 0 C-N-CA 118.221 -1.392 . . . . 0.0 109.486 -178.34 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.82 -45.46 82.21 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.397 -0.814 . . . . 0.0 110.046 179.826 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 52.1 mtpt -61.06 -36.65 80.18 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.026 -1.046 . . . . 0.0 109.991 -179.528 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.8 tm-20 -60.69 -39.11 87.28 Favored 'General case' 0 C--N 1.303 -1.433 0 C-N-CA 118.994 -1.082 . . . . 0.0 110.032 -179.705 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 81.1 mt -60.68 -39.7 82.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 120.608 -1.308 . . . . 0.0 109.592 179.863 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 83.0 t -62.65 -39.54 85.07 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.55 0 O-C-N 121.261 -0.899 . . . . 0.0 108.676 -179.969 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . 0.44 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -60.29 -30.1 69.25 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.383 -0.823 . . . . 0.0 109.424 179.396 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 71.1 m -77.88 -28.27 49.91 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.565 -0.709 . . . . 0.0 109.589 -179.598 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 43.2 t -82.4 103.22 11.8 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.322 -0.861 . . . . 0.0 109.278 179.664 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -60.98 -28.29 68.91 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.318 -0.863 . . . . 0.0 110.054 -179.899 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 82.8 mttt -71.38 -40.34 70.63 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.167 -0.958 . . . . 0.0 110.678 -178.008 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 63.8 m -83.33 -29.03 28.62 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 120.797 -1.189 . . . . 0.0 109.275 -179.786 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . 0.472 ' OE1' ' NE2' ' A' ' 44' ' ' GLN . 6.9 tt0 . . . . . 0 N--CA 1.489 1.5 0 O-C-N 121.179 -0.95 . . . . 0.0 109.51 179.821 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 43.6 m-85 . . . . . 0 N--CA 1.494 1.745 0 CA-C-O 121.562 0.696 . . . . 0.0 109.926 . . . . . . . . . 0 0 . 1 . 036 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 41.7 mt -69.37 -30.24 68.2 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.366 -0.834 . . . . 0.0 111.221 -178.459 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 57.1 t0 -61.67 -51.14 69.67 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.723 -1.236 . . . . 0.0 110.729 -179.257 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.97 -44.47 45.98 Favored Glycine 0 N--CA 1.492 2.426 0 N-CA-C 109.78 -1.328 . . . . 0.0 109.78 -179.562 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.476 ' O ' ' N ' ' A' ' 9' ' ' GLN . 84.7 mt -58.07 -39.68 73.66 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.497 0 O-C-N 121.516 -0.99 . . . . 0.0 109.557 -179.801 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -56.42 -46.54 80.17 Favored 'General case' 0 C--N 1.302 -1.466 0 C-N-CA 119.161 -1.016 . . . . 0.0 108.891 -179.685 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 63.4 mttm -69.19 -40.3 78.14 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 120.979 -1.075 . . . . 0.0 108.622 178.479 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.46 -37.18 84.58 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.309 -0.87 . . . . 0.0 109.571 179.47 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.476 ' N ' ' O ' ' A' ' 5' ' ' ILE . 56.6 tt0 -57.3 -40.09 77.12 Favored 'General case' 0 N--CA 1.486 1.37 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 -178.844 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 19.5 tp10 -60.62 -43.79 97.08 Favored 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 178.682 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.7 tm-20 -60.56 -41.49 94.69 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.361 -0.837 . . . . 0.0 108.849 178.875 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.529 ' O ' ' N ' ' A' ' 16' ' ' HIS . 13.8 t60 -61.54 -47.0 87.54 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.215 -0.928 . . . . 0.0 109.954 179.482 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.8 tp10 -60.83 -42.67 98.22 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.222 -0.924 . . . . 0.0 110.363 -179.196 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -62.63 -30.74 71.59 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.509 -0.744 . . . . 0.0 112.913 -178.207 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -140.81 -3.78 1.25 Allowed 'General case' 0 N--CA 1.509 2.487 0 O-C-N 120.755 -1.216 . . . . 0.0 112.453 -176.946 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.529 ' N ' ' O ' ' A' ' 12' ' ' HIS . 89.2 m-70 53.83 46.8 25.0 Favored 'General case' 0 N--CA 1.497 1.916 0 N-CA-C 107.359 -1.349 . . . . 0.0 107.359 -177.464 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 88.6 p -67.36 156.03 37.48 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.286 -0.884 . . . . 0.0 110.607 -178.197 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -71.72 154.29 41.45 Favored 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 179.872 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 47.2 p-90 -55.03 -31.41 61.07 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.182 -0.949 . . . . 0.0 110.384 -179.065 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 75.4 mtm180 -62.58 -40.1 95.8 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 120.9 -1.125 . . . . 0.0 109.802 -179.965 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.36 -47.7 63.52 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.329 -0.857 . . . . 0.0 109.476 -179.251 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 77.8 mtm -60.93 -39.67 90.3 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.17 -0.956 . . . . 0.0 109.469 179.545 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.491 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -57.67 -47.74 81.44 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.431 -0.793 . . . . 0.0 109.5 -179.631 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 33.2 t -70.26 -36.86 74.71 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.176 -0.953 . . . . 0.0 110.455 179.955 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -60.32 -39.83 88.42 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.211 -0.931 . . . . 0.0 110.532 -179.01 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -111.3 -1.74 15.93 Favored 'General case' 0 N--CA 1.505 2.288 0 O-C-N 121.362 -0.836 . . . . 0.0 109.817 -179.581 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.491 ' N ' ' O ' ' A' ' 23' ' ' ALA . 59.1 t30 58.54 49.92 9.88 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.136 -0.978 . . . . 0.0 110.594 179.884 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 81.4 mt -115.1 151.81 46.04 Favored Pre-proline 0 N--CA 1.507 2.386 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 179.374 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_endo -60.75 153.27 63.62 Favored 'Trans proline' 0 N--CA 1.496 1.639 0 C-N-CA 121.603 1.535 . . . . 0.0 111.38 -179.82 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.462 ' O ' ' N ' ' A' ' 34' ' ' LYS . 39.1 Cg_exo -45.3 -35.12 11.02 Favored 'Trans proline' 0 C--N 1.311 -1.447 0 C-N-CA 122.037 1.824 . . . . 0.0 112.042 179.579 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 70.4 t -54.13 -50.01 57.96 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.742 0 O-C-N 121.43 -0.794 . . . . 0.0 110.24 -178.225 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 62.2 t -67.01 -48.87 78.15 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.791 0 C-N-CA 118.594 -1.242 . . . . 0.0 109.092 -179.291 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.99 -45.21 86.57 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.295 -0.878 . . . . 0.0 110.646 -179.794 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' A' ' 30' ' ' PRO . 50.6 mtpt -61.77 -37.43 84.29 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.04 -1.038 . . . . 0.0 110.253 -179.911 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -61.44 -37.96 85.43 Favored 'General case' 0 N--CA 1.484 1.239 0 O-C-N 120.83 -1.169 . . . . 0.0 110.147 -178.647 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 43.6 mt -59.68 -39.67 80.24 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.387 0 C-N-CA 118.472 -1.291 . . . . 0.0 107.588 179.606 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 69.4 t -62.42 -39.49 84.5 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.403 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 178.678 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.75 -35.75 75.22 Favored 'General case' 0 C--N 1.305 -1.327 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 179.545 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 23.1 m -74.36 -33.63 63.15 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 121.435 -0.791 . . . . 0.0 109.661 -179.999 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 35.6 t -80.97 101.88 9.79 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.343 -0.848 . . . . 0.0 109.655 -179.441 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 -60.84 -28.57 68.92 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.451 -0.781 . . . . 0.0 110.526 -179.669 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 89.4 mttt -69.86 -40.42 75.78 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.545 -1.347 . . . . 0.0 110.205 -179.146 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 69.4 m -84.34 -23.17 30.32 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.093 -1.005 . . . . 0.0 109.377 179.76 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.577 ' NE2' ' OE1' ' B' ' 44' ' ' GLN . 56.4 tt0 . . . . . 0 N--CA 1.491 1.622 0 O-C-N 121.065 -1.022 . . . . 0.0 108.688 -179.87 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 42.4 m-85 . . . . . 0 N--CA 1.491 1.608 0 CA-C-O 121.482 0.658 . . . . 0.0 109.869 . . . . . . . . . 0 0 . 1 . 036 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 47.0 mt -69.23 -31.54 70.18 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.061 -1.024 . . . . 0.0 111.048 -178.264 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -60.94 -51.13 70.59 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 120.856 -1.153 . . . . 0.0 110.95 -178.699 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.36 -43.38 46.16 Favored Glycine 0 N--CA 1.492 2.414 0 N-CA-C 109.553 -1.419 . . . . 0.0 109.553 -179.372 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . 0.44 ' O ' ' N ' ' B' ' 9' ' ' GLN . 86.2 mt -59.02 -39.67 78.89 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.705 0 O-C-N 121.396 -1.061 . . . . 0.0 109.802 179.987 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -56.81 -45.75 82.05 Favored 'General case' 0 C--N 1.302 -1.458 0 C-N-CA 119.263 -0.975 . . . . 0.0 108.573 -179.583 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 64.6 mttm -69.71 -40.35 76.33 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 120.899 -1.126 . . . . 0.0 108.792 178.362 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.46 -36.96 84.07 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.276 -0.89 . . . . 0.0 109.537 179.444 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . 0.44 ' N ' ' O ' ' B' ' 5' ' ' ILE . 54.5 tt0 -57.32 -40.4 77.83 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.229 -0.919 . . . . 0.0 108.691 -179.178 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 19.4 tp10 -60.35 -43.29 96.62 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 178.875 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 13.1 tm-20 -60.75 -42.01 96.57 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.182 -0.949 . . . . 0.0 108.953 179.006 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 12' ' ' HIS . . . . . 0.522 ' O ' ' N ' ' B' ' 16' ' ' HIS . 13.5 t60 -61.57 -46.64 89.0 Favored 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 119.689 -0.805 . . . . 0.0 110.085 179.814 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 42.4 tp10 -60.47 -42.07 95.48 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.044 -1.035 . . . . 0.0 110.404 -179.492 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 25.7 mtpp -63.65 -30.68 71.76 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.572 -0.705 . . . . 0.0 112.854 -178.379 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -140.84 -3.73 1.25 Allowed 'General case' 0 N--CA 1.507 2.386 0 O-C-N 120.496 -1.378 . . . . 0.0 112.78 -177.08 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.522 ' N ' ' O ' ' B' ' 12' ' ' HIS . 91.0 m-70 53.34 47.15 24.86 Favored 'General case' 0 N--CA 1.498 1.933 0 N-CA-C 107.29 -1.374 . . . . 0.0 107.29 -177.533 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 84.4 p -67.34 155.64 38.42 Favored 'General case' 0 C--N 1.3 -1.55 0 C-N-CA 119.771 -0.772 . . . . 0.0 110.201 -178.37 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -71.94 155.65 40.13 Favored 'General case' 0 N--CA 1.489 1.475 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 179.95 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 44.6 p-90 -55.41 -31.34 61.78 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.177 -0.952 . . . . 0.0 110.48 -179.078 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 76.3 mtm180 -62.61 -40.2 96.19 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 120.888 -1.132 . . . . 0.0 109.991 -179.97 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.94 -47.99 64.34 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.19 -0.944 . . . . 0.0 109.853 -179.175 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 78.9 mtm -60.51 -39.7 88.74 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.231 -0.918 . . . . 0.0 109.289 179.671 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . 0.483 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -57.41 -47.43 81.75 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 119.654 -0.818 . . . . 0.0 109.528 -179.602 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 34.0 t -70.18 -38.39 75.38 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.263 -0.898 . . . . 0.0 110.754 -179.847 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -59.95 -39.82 86.86 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.246 -0.909 . . . . 0.0 110.588 -178.76 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -110.48 -2.38 16.56 Favored 'General case' 0 N--CA 1.501 2.075 0 O-C-N 121.457 -0.777 . . . . 0.0 109.992 -179.686 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . 0.483 ' N ' ' O ' ' B' ' 23' ' ' ALA . 53.8 t30 58.85 50.0 9.14 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.294 -0.879 . . . . 0.0 110.548 179.603 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 83.9 mt -115.51 151.25 45.87 Favored Pre-proline 0 N--CA 1.504 2.239 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 179.142 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -60.14 154.47 51.47 Favored 'Trans proline' 0 N--CA 1.492 1.427 0 C-N-CA 121.461 1.44 . . . . 0.0 111.116 -179.854 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -46.04 -36.23 15.8 Favored 'Trans proline' 0 N--CA 1.491 1.339 0 C-N-CA 121.998 1.798 . . . . 0.0 112.107 179.608 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 76.4 t -52.74 -49.75 45.1 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.67 0 O-C-N 121.412 -0.805 . . . . 0.0 110.544 -178.414 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 61.6 t -67.85 -48.01 77.13 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.759 0 C-N-CA 118.705 -1.198 . . . . 0.0 109.387 -179.082 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.67 -45.41 83.0 Favored 'General case' 0 C--N 1.301 -1.536 0 C-N-CA 119.692 -0.803 . . . . 0.0 110.124 -179.767 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 51.6 mtpt -60.67 -38.55 85.28 Favored 'General case' 0 N--CA 1.486 1.369 0 O-C-N 120.987 -1.071 . . . . 0.0 110.237 179.822 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 14.6 tm-20 -60.8 -38.14 84.36 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.019 -1.05 . . . . 0.0 110.132 -178.45 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 47.8 mt -59.76 -39.9 81.05 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.406 0 O-C-N 120.655 -1.278 . . . . 0.0 107.624 179.828 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 72.8 t -62.42 -39.61 84.96 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 178.631 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . 0.478 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -59.41 -35.45 74.0 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 179.366 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 21.5 m -75.69 -32.05 59.95 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.224 -0.923 . . . . 0.0 109.997 -179.881 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 38.8 t -81.62 101.12 9.81 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.309 -0.869 . . . . 0.0 109.635 -179.421 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -60.4 -29.3 68.87 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.275 -0.891 . . . . 0.0 110.515 -179.476 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 88.8 mttt -68.81 -40.83 79.33 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.588 -1.32 . . . . 0.0 110.062 -178.897 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 87.7 m -84.12 -24.54 30.23 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 120.781 -1.199 . . . . 0.0 109.766 179.607 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . 0.577 ' OE1' ' NE2' ' A' ' 44' ' ' GLN . 7.0 tt0 . . . . . 0 N--CA 1.488 1.455 0 O-C-N 120.863 -1.148 . . . . 0.0 108.89 -179.885 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 . . . . . 0 N--CA 1.49 1.562 0 CA-C-O 121.535 0.683 . . . . 0.0 109.587 . . . . . . . . . 0 0 . 1 . 037 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 20.0 mt -67.95 -32.2 72.48 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.691 -0.63 . . . . 0.0 111.553 -178.045 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 58.9 t0 -65.16 -55.39 18.9 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.828 -1.17 . . . . 0.0 110.975 -178.609 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.39 -42.51 97.64 Favored Glycine 0 N--CA 1.488 2.145 0 N-CA-C 109.531 -1.427 . . . . 0.0 109.531 -179.623 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 81.2 mt -59.86 -40.0 81.52 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.536 0 O-C-N 121.499 -1.0 . . . . 0.0 110.201 -179.882 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -54.8 -46.79 74.54 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 120.618 -1.301 . . . . 0.0 108.941 -179.375 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 50.8 mttp -69.58 -40.73 76.55 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.06 -1.025 . . . . 0.0 108.869 179.225 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.98 -35.4 78.28 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.313 -0.867 . . . . 0.0 109.453 -179.872 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -58.16 -41.22 83.33 Favored 'General case' 0 C--N 1.305 -1.353 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 -179.677 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -61.9 -40.82 96.77 Favored 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 119.659 -0.816 . . . . 0.0 109.192 179.269 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.546 ' CD ' ' HG ' ' A' ' 17' ' ' SER . 12.1 tm-20 -60.43 -40.37 90.84 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.094 -1.004 . . . . 0.0 108.635 179.284 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.536 ' O ' ' N ' ' A' ' 16' ' ' HIS . 14.9 t60 -62.68 -46.09 89.76 Favored 'General case' 0 C--N 1.305 -1.327 0 O-C-N 121.238 -0.913 . . . . 0.0 110.322 179.903 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -60.38 -44.42 95.67 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.082 -1.011 . . . . 0.0 110.369 -179.083 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.0 mtpp -61.93 -31.08 71.37 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.274 -0.891 . . . . 0.0 113.111 -178.452 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 33.7 m-85 -139.11 -5.27 1.47 Allowed 'General case' 0 N--CA 1.506 2.345 0 O-C-N 120.647 -1.283 . . . . 0.0 112.687 -176.502 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.536 ' N ' ' O ' ' A' ' 12' ' ' HIS . 91.0 m-70 54.25 41.91 31.76 Favored 'General case' 0 N--CA 1.495 1.799 0 N-CA-C 107.317 -1.364 . . . . 0.0 107.317 -177.676 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.546 ' HG ' ' CD ' ' A' ' 11' ' ' GLU . 80.2 p -64.44 153.51 38.53 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.6 -0.688 . . . . 0.0 110.104 -178.509 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -71.32 157.84 37.39 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.462 -0.773 . . . . 0.0 109.186 179.602 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 48.6 p-90 -56.67 -32.16 65.14 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.407 -0.808 . . . . 0.0 110.606 -179.265 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -60.97 -40.16 92.32 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 120.955 -1.091 . . . . 0.0 109.179 -179.944 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.59 -48.76 63.35 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.595 -0.691 . . . . 0.0 109.159 -179.917 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 78.6 mtm -61.59 -40.74 95.88 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.165 -0.959 . . . . 0.0 109.005 179.411 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.497 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -57.86 -47.31 83.09 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.229 -0.919 . . . . 0.0 109.069 179.661 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 43.7 m -70.32 -34.71 73.03 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.273 -0.892 . . . . 0.0 110.199 179.984 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -61.55 -42.15 98.41 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.008 -1.057 . . . . 0.0 110.038 -179.038 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -109.54 1.32 19.66 Favored 'General case' 0 N--CA 1.501 2.08 0 O-C-N 121.5 -0.75 . . . . 0.0 110.229 -179.416 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.497 ' N ' ' O ' ' A' ' 23' ' ' ALA . 64.1 m-20 54.72 51.1 14.41 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.422 -0.799 . . . . 0.0 109.684 179.804 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 85.3 mt -115.37 153.01 47.53 Favored Pre-proline 0 N--CA 1.503 2.178 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 179.833 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_endo -61.57 144.04 97.42 Favored 'Trans proline' 0 N--CA 1.496 1.634 0 C-N-CA 121.97 1.78 . . . . 0.0 111.715 -179.896 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.453 ' O ' ' N ' ' A' ' 34' ' ' LYS . 32.1 Cg_exo -39.69 -34.74 0.83 Allowed 'Trans proline' 0 N--CA 1.487 1.137 0 C-N-CA 122.281 1.987 . . . . 0.0 112.23 -179.417 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 89.0 t -54.87 -49.68 67.94 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.804 0 O-C-N 121.345 -0.847 . . . . 0.0 110.257 -178.599 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 61.7 t -66.83 -48.38 79.98 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.009 0 C-N-CA 118.421 -1.311 . . . . 0.0 109.539 -178.939 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.4 -44.67 82.38 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.391 -0.818 . . . . 0.0 109.665 -179.673 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.48 ' CB ' ' HZ1' ' A' ' 34' ' ' LYS . 0.9 OUTLIER -60.17 -38.0 81.89 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.931 -1.106 . . . . 0.0 109.797 -179.942 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.4 tm-20 -60.07 -39.74 87.1 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.195 -0.94 . . . . 0.0 110.452 -178.911 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 53.1 mt -59.72 -39.58 80.09 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 120.882 -1.136 . . . . 0.0 108.657 179.993 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 62.8 t -62.43 -39.41 84.23 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.706 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 179.078 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.88 -32.14 71.59 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.522 -0.736 . . . . 0.0 109.994 179.448 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.0 m -78.49 -26.4 45.99 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.935 -1.103 . . . . 0.0 109.747 -179.705 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 41.2 t -81.26 103.29 10.94 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.137 -0.977 . . . . 0.0 109.067 -179.912 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -60.36 -31.2 70.1 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.315 -0.866 . . . . 0.0 110.016 -179.745 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -69.56 -40.17 76.95 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.028 -1.045 . . . . 0.0 111.233 -178.587 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 67.9 m -84.6 -26.38 27.95 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 120.771 -1.206 . . . . 0.0 109.493 179.97 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 . . . . . 0 N--CA 1.486 1.341 0 N-CA-C 107.553 -1.277 . . . . 0.0 107.553 179.387 . . . . . . . . 0 0 . 1 . 037 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 41.8 m-85 . . . . . 0 N--CA 1.494 1.727 0 CA-C-O 121.444 0.64 . . . . 0.0 110.044 . . . . . . . . . 0 0 . 1 . 037 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 19.7 mt -67.98 -33.15 74.1 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.688 -0.632 . . . . 0.0 111.487 -178.003 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 58.4 t0 -64.16 -55.05 24.55 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.776 -1.202 . . . . 0.0 111.237 -178.865 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.56 -43.03 97.13 Favored Glycine 0 N--CA 1.492 2.387 0 N-CA-C 109.429 -1.469 . . . . 0.0 109.429 -179.685 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . 0.401 ' O ' ' N ' ' B' ' 9' ' ' GLN . 83.5 mt -59.52 -38.78 77.07 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.701 -0.882 . . . . 0.0 110.726 -179.959 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -56.19 -47.21 78.77 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 120.875 -1.141 . . . . 0.0 108.682 -179.286 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 50.2 mttp -69.06 -40.13 78.69 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.27 -0.894 . . . . 0.0 109.105 179.459 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.34 -35.38 77.68 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.612 -0.68 . . . . 0.0 109.32 179.733 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . 0.401 ' N ' ' O ' ' B' ' 5' ' ' ILE . 59.6 tt0 -58.47 -41.66 85.72 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.227 -0.92 . . . . 0.0 108.632 -179.786 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -60.98 -41.22 96.02 Favored 'General case' 0 N--CA 1.49 1.559 0 C-N-CA 119.405 -0.918 . . . . 0.0 109.292 179.021 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . 0.524 ' CD ' ' HG ' ' B' ' 17' ' ' SER . 11.9 tm-20 -60.19 -40.02 88.56 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.063 -1.023 . . . . 0.0 108.582 179.708 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 12' ' ' HIS . . . . . 0.571 ' O ' ' N ' ' B' ' 16' ' ' HIS . 15.3 t60 -63.26 -45.63 90.59 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.333 -0.854 . . . . 0.0 110.267 -179.989 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -61.1 -44.72 96.92 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 120.929 -1.107 . . . . 0.0 110.389 -178.995 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 23.5 mtpp -61.32 -32.51 72.37 Favored 'General case' 0 N--CA 1.491 1.588 0 N-CA-C 112.937 0.717 . . . . 0.0 112.937 -178.744 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -137.72 -5.05 1.76 Allowed 'General case' 0 N--CA 1.505 2.319 0 O-C-N 120.592 -1.318 . . . . 0.0 112.826 -176.833 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.571 ' N ' ' O ' ' B' ' 12' ' ' HIS . 91.8 m-70 53.84 43.28 31.17 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.494 -1.379 . . . . 0.0 107.307 -177.613 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 17' ' ' SER . . . . . 0.524 ' HG ' ' CD ' ' B' ' 11' ' ' GLU . 79.7 p -65.77 154.37 39.25 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.689 -0.632 . . . . 0.0 110.306 -178.846 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 83.8 m-20 -71.74 157.98 36.95 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.3 -0.875 . . . . 0.0 109.035 179.318 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 48.3 p-90 -57.12 -31.63 65.5 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.516 -0.74 . . . . 0.0 110.705 -179.279 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -61.29 -39.92 92.21 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.853 -1.155 . . . . 0.0 108.989 179.669 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.41 -49.58 58.98 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.41 -0.806 . . . . 0.0 109.005 179.771 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 79.3 mtm -60.72 -40.56 92.78 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.974 -1.079 . . . . 0.0 109.086 179.369 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . 0.461 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -57.81 -47.3 83.01 Favored 'General case' 0 C--N 1.303 -1.432 0 C-N-CA 119.465 -0.894 . . . . 0.0 109.308 179.882 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 42.0 m -70.26 -35.63 73.91 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.303 -0.873 . . . . 0.0 110.241 -179.937 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 66.8 t0 -60.69 -42.24 96.76 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.031 -1.043 . . . . 0.0 110.446 -178.791 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -109.46 1.28 19.75 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 121.313 -0.867 . . . . 0.0 110.142 -179.584 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . 0.461 ' N ' ' O ' ' B' ' 23' ' ' ALA . 66.5 m-20 55.22 49.88 16.28 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.347 -0.846 . . . . 0.0 109.677 179.985 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 77.0 mt -114.06 152.5 45.85 Favored Pre-proline 0 N--CA 1.502 2.128 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 179.767 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_endo -61.3 144.97 98.84 Favored 'Trans proline' 0 N--CA 1.497 1.734 0 C-N-CA 121.937 1.758 . . . . 0.0 111.769 -179.898 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 30' ' ' PRO . . . . . 0.446 ' O ' ' N ' ' B' ' 34' ' ' LYS . 38.4 Cg_exo -40.17 -34.5 1.03 Allowed 'Trans proline' 0 N--CA 1.491 1.359 0 C-N-CA 122.302 2.002 . . . . 0.0 112.473 -179.364 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 87.1 t -55.75 -49.81 71.99 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.639 0 O-C-N 121.36 -0.837 . . . . 0.0 110.325 -178.508 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 57.1 t -66.28 -47.79 83.2 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.915 0 C-N-CA 118.56 -1.256 . . . . 0.0 109.538 -179.194 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.97 -44.77 79.65 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.477 -0.764 . . . . 0.0 110.211 -179.801 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' B' ' 30' ' ' PRO . 1.1 mmmp? -60.06 -37.12 78.94 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.032 -1.043 . . . . 0.0 109.735 179.876 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.2 tm-20 -61.08 -39.87 91.55 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.064 -1.023 . . . . 0.0 110.353 -178.883 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 54.4 mt -59.65 -39.69 80.24 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 121.109 -0.994 . . . . 0.0 108.376 -179.834 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 60.2 t -62.65 -39.44 84.68 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 179.372 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . 0.522 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -60.63 -31.84 71.02 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.657 -0.652 . . . . 0.0 110.121 179.195 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 38.0 m -78.73 -26.32 44.68 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.011 -1.056 . . . . 0.0 109.703 -179.593 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 41.5 t -81.38 103.57 11.23 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.426 -0.796 . . . . 0.0 109.503 -179.982 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -60.15 -31.26 69.93 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.3 -0.875 . . . . 0.0 110.289 -179.91 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -69.92 -40.89 75.29 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.894 -1.129 . . . . 0.0 111.187 -178.684 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 70.6 m -84.01 -25.67 29.77 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 120.827 -1.171 . . . . 0.0 109.792 179.959 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . 0.522 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 14.9 tt0 . . . . . 0 N--CA 1.491 1.618 0 N-CA-C 107.436 -1.32 . . . . 0.0 107.436 179.26 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 . . . . . 0 N--CA 1.492 1.652 0 CA-C-O 121.841 0.829 . . . . 0.0 109.858 . . . . . . . . . 0 0 . 1 . 038 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 20.0 mt -69.04 -31.85 70.93 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.572 -0.705 . . . . 0.0 111.155 -177.742 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 0.506 ' OD1' ' N ' ' A' ' 3' ' ' ASP . 22.0 p-10 -65.82 -57.71 7.31 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.771 -1.205 . . . . 0.0 111.169 -178.759 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.416 ' H ' ' CG ' ' A' ' 3' ' ' ASP . . . -59.8 -41.74 97.75 Favored Glycine 0 N--CA 1.491 2.313 0 N-CA-C 110.398 -1.081 . . . . 0.0 110.398 -179.089 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 93.4 mt -60.08 -40.42 83.23 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.799 0 O-C-N 120.939 -1.33 . . . . 0.0 110.409 -179.721 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 61.8 t0 -54.93 -45.87 74.87 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 120.773 -1.205 . . . . 0.0 109.33 -179.135 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 48.1 mtmt -70.1 -41.51 73.94 Favored 'General case' 0 N--CA 1.488 1.455 0 C-N-CA 118.978 -1.089 . . . . 0.0 109.358 179.412 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.98 -36.69 80.45 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.514 -0.742 . . . . 0.0 109.277 179.662 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -57.3 -40.08 77.08 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.345 -0.847 . . . . 0.0 109.777 -179.588 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -63.43 -44.21 95.21 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.093 -1.004 . . . . 0.0 109.32 179.401 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 23.9 tp10 -59.91 -39.94 87.12 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.177 -0.952 . . . . 0.0 108.9 179.288 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.547 ' O ' ' N ' ' A' ' 16' ' ' HIS . 13.0 t60 -60.54 -47.28 86.87 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.218 -0.926 . . . . 0.0 109.897 179.4 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -60.7 -40.38 92.02 Favored 'General case' 0 C--N 1.298 -1.647 0 O-C-N 121.383 -0.823 . . . . 0.0 109.958 -179.21 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -64.03 -30.3 71.38 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.147 -0.971 . . . . 0.0 113.066 -179.089 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -140.59 -7.31 1.13 Allowed 'General case' 0 N--CA 1.506 2.362 0 O-C-N 120.572 -1.33 . . . . 0.0 112.62 -176.999 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.547 ' N ' ' O ' ' A' ' 12' ' ' HIS . 90.3 m-70 55.07 42.38 30.91 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 107.133 -1.432 . . . . 0.0 107.133 -177.559 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 92.1 p -66.52 157.64 31.7 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.652 -0.655 . . . . 0.0 110.476 -178.548 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -71.89 157.59 37.58 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.48 -0.762 . . . . 0.0 109.062 179.669 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 46.0 p-90 -56.42 -30.96 63.45 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.115 -0.991 . . . . 0.0 110.523 -179.563 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -61.37 -40.56 94.76 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.834 -1.166 . . . . 0.0 109.594 179.875 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.65 -48.12 64.82 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.264 -0.897 . . . . 0.0 109.218 -179.591 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 78.3 mtm -62.24 -40.58 96.65 Favored 'General case' 0 C--N 1.301 -1.51 0 C-N-CA 119.63 -0.828 . . . . 0.0 109.942 -179.82 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.504 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -58.69 -45.56 89.18 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.15 -0.969 . . . . 0.0 109.561 -179.628 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 25.5 t -70.2 -36.66 74.76 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.303 -0.873 . . . . 0.0 110.298 -179.637 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -60.36 -42.08 95.01 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.416 -0.802 . . . . 0.0 110.189 -178.893 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -108.87 1.07 20.58 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.528 -0.732 . . . . 0.0 110.31 -179.832 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.504 ' N ' ' O ' ' A' ' 23' ' ' ALA . 95.5 m-20 55.75 49.95 15.2 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.165 -0.959 . . . . 0.0 110.27 179.405 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 77.8 mt -116.11 150.62 45.48 Favored Pre-proline 0 N--CA 1.497 1.907 0 N-CA-C 107.609 -1.256 . . . . 0.0 107.609 179.4 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -60.52 152.97 64.35 Favored 'Trans proline' 0 C--N 1.307 -1.614 0 C-N-CA 121.411 1.407 . . . . 0.0 111.484 -179.667 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.45 ' O ' ' N ' ' A' ' 34' ' ' LYS . 31.5 Cg_exo -45.55 -37.51 15.25 Favored 'Trans proline' 0 C--N 1.31 -1.467 0 C-N-CA 121.923 1.749 . . . . 0.0 112.053 179.869 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 60.0 t -53.77 -49.27 58.83 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.792 0 O-C-N 120.837 -1.164 . . . . 0.0 110.685 -178.272 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 58.5 t -66.84 -48.74 78.9 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.768 0 C-N-CA 118.383 -1.327 . . . . 0.0 109.442 -178.581 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.61 -42.16 87.27 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.32 -0.863 . . . . 0.0 110.027 179.689 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 30' ' ' PRO . 10.0 mtpm? -62.27 -36.02 80.77 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 120.765 -1.209 . . . . 0.0 109.889 179.715 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.5 tm-20 -60.05 -38.63 83.36 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 121.255 -0.903 . . . . 0.0 109.385 -179.008 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 69.0 mt -59.84 -39.89 81.2 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 120.957 -1.089 . . . . 0.0 108.807 179.428 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 92.5 t -63.25 -40.03 87.49 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 178.944 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.04 -30.56 70.39 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.428 -0.795 . . . . 0.0 109.531 179.446 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 64.1 m -81.45 -24.04 37.09 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.181 -0.949 . . . . 0.0 109.692 -179.544 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 42.7 t -85.1 105.78 16.09 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.09 -1.006 . . . . 0.0 109.585 -179.872 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -62.32 -29.91 70.78 Favored 'General case' 0 C--N 1.301 -1.542 0 C-N-CA 120.072 -0.651 . . . . 0.0 109.882 179.907 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -70.45 -41.32 72.98 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.144 -0.973 . . . . 0.0 110.615 -178.922 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 85.0 m -87.24 -25.78 23.82 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 120.861 -1.149 . . . . 0.0 110.356 -179.986 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 . . . . . 0 N--CA 1.498 1.974 0 O-C-N 120.995 -1.065 . . . . 0.0 109.089 -179.043 . . . . . . . . 0 0 . 1 . 038 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 . . . . . 0 N--CA 1.492 1.633 0 CA-C-O 121.821 0.819 . . . . 0.0 109.853 . . . . . . . . . 0 0 . 1 . 038 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 20.3 mt -69.58 -31.06 68.99 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.475 -0.765 . . . . 0.0 110.737 -177.912 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . 0.52 ' OD1' ' N ' ' B' ' 3' ' ' ASP . 18.6 p-10 -65.21 -58.39 6.09 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.854 -1.154 . . . . 0.0 111.226 -178.921 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 4' ' ' GLY . . . . . 0.425 ' H ' ' CG ' ' B' ' 3' ' ' ASP . . . -59.88 -41.14 97.61 Favored Glycine 0 N--CA 1.499 2.871 0 N-CA-C 110.282 -1.127 . . . . 0.0 110.282 -178.626 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . 0.402 ' O ' ' N ' ' B' ' 9' ' ' GLN . 92.6 mt -60.71 -39.91 83.15 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 O-C-N 121.263 -1.139 . . . . 0.0 110.349 -179.627 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -55.85 -45.23 78.5 Favored 'General case' 0 C--N 1.298 -1.642 0 C-N-CA 118.933 -1.107 . . . . 0.0 108.999 -178.906 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 47.1 mtmt -69.92 -42.24 73.57 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.148 -0.97 . . . . 0.0 109.232 178.941 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.45 -37.32 82.77 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 121.354 -0.841 . . . . 0.0 109.605 -179.954 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . 0.402 ' N ' ' O ' ' B' ' 5' ' ' ILE . 55.4 tt0 -56.73 -41.99 78.44 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.516 -0.74 . . . . 0.0 109.678 -179.402 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -62.57 -42.81 99.78 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.124 -0.985 . . . . 0.0 108.988 179.554 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 28.1 tp10 -60.9 -40.03 91.54 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 120.897 -1.127 . . . . 0.0 108.619 178.934 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 12' ' ' HIS . . . . . 0.531 ' O ' ' N ' ' B' ' 16' ' ' HIS . 12.6 t60 -60.41 -47.36 86.44 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.235 -0.916 . . . . 0.0 109.858 179.806 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -60.26 -40.52 90.62 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.144 -0.973 . . . . 0.0 110.265 -179.717 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp -63.86 -30.44 71.53 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.331 -0.855 . . . . 0.0 112.746 -178.604 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -140.15 -8.94 1.16 Allowed 'General case' 0 N--CA 1.508 2.435 0 O-C-N 120.701 -1.249 . . . . 0.0 112.799 -177.109 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.531 ' N ' ' O ' ' B' ' 12' ' ' HIS . 90.3 m-70 55.77 43.35 27.95 Favored 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 107.175 -1.417 . . . . 0.0 107.175 -177.117 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 95.0 p -68.28 158.87 32.44 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.633 -0.667 . . . . 0.0 110.342 -178.618 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -73.0 157.93 36.45 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.378 -0.826 . . . . 0.0 109.43 179.886 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 43.4 p-90 -56.27 -30.1 62.0 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.338 -0.851 . . . . 0.0 110.653 -179.557 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -62.64 -40.13 96.05 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.067 -1.021 . . . . 0.0 109.665 -179.926 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.08 -48.88 61.57 Favored 'General case' 0 C--N 1.297 -1.702 0 O-C-N 121.516 -0.74 . . . . 0.0 109.151 179.965 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 78.0 mtm -61.61 -40.08 93.55 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.512 -0.743 . . . . 0.0 109.794 -179.943 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . 0.508 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -59.51 -45.47 91.64 Favored 'General case' 0 N--CA 1.49 1.566 0 C-N-CA 119.244 -0.982 . . . . 0.0 109.613 -179.649 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 32.8 t -69.94 -37.26 75.82 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.271 -0.893 . . . . 0.0 110.311 179.798 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -59.43 -41.76 90.29 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.256 -0.902 . . . . 0.0 109.843 -178.836 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -109.71 2.83 20.37 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.275 -0.891 . . . . 0.0 109.959 -179.757 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . 0.508 ' N ' ' O ' ' B' ' 23' ' ' ALA . 97.8 m-20 53.35 49.84 18.85 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.294 -0.879 . . . . 0.0 110.089 179.39 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 77.3 mt -115.39 151.47 45.98 Favored Pre-proline 0 N--CA 1.497 1.913 0 N-CA-C 107.437 -1.32 . . . . 0.0 107.437 179.123 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -60.77 153.64 61.16 Favored 'Trans proline' 0 C--N 1.311 -1.429 0 C-N-CA 121.655 1.57 . . . . 0.0 111.664 -179.813 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 30' ' ' PRO . . . . . 0.416 ' O ' ' N ' ' B' ' 34' ' ' LYS . 25.7 Cg_exo -46.19 -38.37 19.61 Favored 'Trans proline' 0 C--N 1.312 -1.377 0 C-N-CA 121.776 1.651 . . . . 0.0 111.897 179.619 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 61.4 t -53.0 -49.32 49.84 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.789 0 O-C-N 120.959 -1.088 . . . . 0.0 110.791 -178.653 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 59.9 t -67.21 -48.62 77.86 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.71 0 C-N-CA 118.188 -1.405 . . . . 0.0 109.47 -178.656 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.78 -41.26 87.98 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.087 -1.008 . . . . 0.0 110.057 -179.806 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' B' ' 30' ' ' PRO . 10.0 mtpm? -62.48 -36.43 82.48 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.905 -1.122 . . . . 0.0 109.997 179.397 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 -59.8 -37.59 79.55 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 120.999 -1.063 . . . . 0.0 109.52 -179.126 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 65.2 mt -59.87 -40.1 81.84 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.103 -0.998 . . . . 0.0 108.803 179.098 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 86.1 t -64.06 -39.7 86.39 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.403 0 N-CA-C 108.493 -0.929 . . . . 0.0 108.493 179.051 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . 0.447 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -61.22 -30.05 70.2 Favored 'General case' 0 C--N 1.3 -1.561 0 C-N-CA 119.801 -0.76 . . . . 0.0 109.496 179.534 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 56.0 m -81.53 -23.44 37.26 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.902 -1.124 . . . . 0.0 109.76 -179.962 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 42.4 t -85.65 104.52 15.46 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.182 -0.949 . . . . 0.0 109.776 -179.759 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 58.7 m-20 -60.8 -30.67 70.2 Favored 'General case' 0 C--N 1.299 -1.625 0 O-C-N 121.353 -0.842 . . . . 0.0 110.094 179.884 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -70.15 -42.2 72.85 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.012 -1.055 . . . . 0.0 110.782 -178.791 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 90.2 m -85.87 -24.99 26.46 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.881 -1.137 . . . . 0.0 110.263 -179.716 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . 0.447 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 7.0 tt0 . . . . . 0 N--CA 1.493 1.695 0 O-C-N 120.919 -1.113 . . . . 0.0 109.408 -179.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 . . . . . 0 N--CA 1.491 1.606 0 CA-C-O 121.428 0.633 . . . . 0.0 109.744 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 19.3 mt -72.67 -28.96 63.02 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.494 -0.754 . . . . 0.0 111.32 -178.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -61.89 -56.63 17.29 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 120.784 -1.198 . . . . 0.0 111.505 -178.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.91 -41.81 99.8 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.849 -1.3 . . . . 0.0 109.849 -179.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.409 ' O ' ' N ' ' A' ' 9' ' ' GLN . 95.2 mt -59.5 -40.04 80.83 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.522 0 O-C-N 121.496 -1.002 . . . . 0.0 110.682 -179.58 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 63.5 t0 -55.35 -49.12 73.07 Favored 'General case' 0 C--N 1.303 -1.418 0 C-N-CA 118.809 -1.156 . . . . 0.0 108.975 -179.285 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 58.8 mttp -69.08 -40.38 78.48 Favored 'General case' 0 C--N 1.302 -1.467 0 C-N-CA 119.077 -1.049 . . . . 0.0 109.313 178.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.22 -37.13 83.09 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.379 -0.826 . . . . 0.0 110.015 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.409 ' N ' ' O ' ' A' ' 5' ' ' ILE . 57.7 tt0 -59.08 -40.21 84.53 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.089 -1.007 . . . . 0.0 109.29 -179.165 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 -61.93 -42.32 98.97 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.004 -1.06 . . . . 0.0 109.102 179.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 26.8 tp10 -60.7 -40.54 92.6 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.119 -0.988 . . . . 0.0 108.746 179.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.543 ' O ' ' N ' ' A' ' 16' ' ' HIS . 14.4 t60 -59.89 -45.95 90.89 Favored 'General case' 0 C--N 1.304 -1.408 0 C-N-CA 119.37 -0.932 . . . . 0.0 109.711 179.67 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -61.16 -41.49 96.87 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.463 -0.773 . . . . 0.0 110.426 -179.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.3 mtpp -61.33 -38.24 86.18 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.366 -0.834 . . . . 0.0 112.7 -178.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -134.36 -2.04 2.82 Favored 'General case' 0 N--CA 1.507 2.398 0 O-C-N 120.867 -1.146 . . . . 0.0 112.414 -176.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.543 ' N ' ' O ' ' A' ' 12' ' ' HIS . 81.3 m-70 53.85 40.31 31.39 Favored 'General case' 0 N--CA 1.494 1.775 0 N-CA-C 107.214 -1.402 . . . . 0.0 107.214 -177.373 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 89.9 p -60.68 156.33 17.03 Favored 'General case' 0 C--N 1.305 -1.357 0 C-N-CA 120.161 -0.616 . . . . 0.0 110.282 -178.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -75.01 161.51 29.4 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.347 -0.846 . . . . 0.0 109.116 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 33.8 p-90 -57.87 -30.15 65.6 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.11 -0.993 . . . . 0.0 110.262 -179.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -62.49 -40.14 95.75 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.868 -1.145 . . . . 0.0 110.324 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.82 -48.87 57.38 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.218 -0.926 . . . . 0.0 109.358 -179.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 79.3 mtm -60.22 -39.75 87.75 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.386 -0.821 . . . . 0.0 109.852 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -59.15 -46.54 88.1 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.172 -0.955 . . . . 0.0 109.044 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 73.1 m -69.69 -37.39 76.61 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.452 -0.78 . . . . 0.0 110.44 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -60.56 -40.58 92.18 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.23 -0.918 . . . . 0.0 110.612 -178.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -111.61 4.99 19.07 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.44 -0.787 . . . . 0.0 109.701 -179.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.433 ' N ' ' O ' ' A' ' 23' ' ' ALA . 82.1 m-20 54.58 42.69 31.13 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.508 -0.745 . . . . 0.0 109.823 179.505 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 69.8 mt -107.63 151.45 41.06 Favored Pre-proline 0 N--CA 1.501 2.091 0 N-CA-C 108.493 -0.929 . . . . 0.0 108.493 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_endo -60.07 162.04 17.66 Favored 'Trans proline' 0 N--CA 1.494 1.534 0 C-N-CA 121.781 1.654 . . . . 0.0 111.177 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_endo -56.67 -34.45 95.87 Favored 'Trans proline' 0 C--N 1.303 -1.817 0 C-N-CA 122.233 1.955 . . . . 0.0 111.379 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 55.0 t -54.45 -49.75 63.1 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.633 0 O-C-N 121.054 -1.029 . . . . 0.0 110.171 -179.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 93.3 t -66.85 -48.6 79.3 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.745 0 C-N-CA 118.614 -1.234 . . . . 0.0 109.7 -179.195 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.46 -43.27 90.86 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.383 -0.823 . . . . 0.0 110.187 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.7 mtpm? -61.25 -36.99 81.5 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 120.836 -1.165 . . . . 0.0 110.473 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.3 tm-20 -61.77 -38.13 86.89 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 119.025 -1.07 . . . . 0.0 110.371 -178.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 77.5 mt -59.85 -40.23 82.15 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 120.745 -1.222 . . . . 0.0 108.387 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 90.4 t -64.1 -38.33 82.16 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.576 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 178.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.403 ' O ' ' OE1' ' A' ' 44' ' ' GLN . . . -60.21 -33.38 72.17 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.488 -0.757 . . . . 0.0 109.851 179.696 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 25.5 m -80.2 -25.92 39.44 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.936 -1.103 . . . . 0.0 109.435 -179.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 44.7 t -81.11 103.98 11.28 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.384 -0.822 . . . . 0.0 109.694 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -60.96 -30.88 70.51 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.474 -0.766 . . . . 0.0 110.828 -179.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -71.15 -41.19 70.75 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.817 -1.177 . . . . 0.0 110.676 -178.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 90.5 m -85.12 -23.53 28.4 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.953 -1.092 . . . . 0.0 109.656 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.403 ' OE1' ' O ' ' A' ' 38' ' ' ALA . 58.6 tt0 -75.08 -68.94 0.5 Allowed 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.235 -0.916 . . . . 0.0 110.144 -179.436 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 65.0 mt -81.83 104.59 12.32 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.152 -0.967 . . . . 0.0 109.571 -179.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -101.22 65.96 1.1 Allowed 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.368 -0.832 . . . . 0.0 109.016 179.417 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 60.3 -124.96 37.44 Favored Glycine 0 N--CA 1.493 2.476 0 N-CA-C 109.585 -1.406 . . . . 0.0 109.585 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.555 ' O ' ' N ' ' A' ' 50' ' ' MET . 38.7 tt0 46.52 -113.98 0.48 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.204 -1.174 . . . . 0.0 109.525 179.659 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 49.42 -86.07 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.257 -0.902 . . . . 0.0 110.19 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.555 ' N ' ' O ' ' A' ' 48' ' ' GLU . 57.9 mtt -145.01 -113.26 0.09 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.36 -0.838 . . . . 0.0 109.499 -179.659 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 72.7 t60 53.48 49.7 19.0 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.23 -0.919 . . . . 0.0 108.955 -179.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -56.12 -172.66 0.14 Allowed Glycine 0 N--CA 1.49 2.257 0 N-CA-C 109.432 -1.467 . . . . 0.0 109.432 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.432 ' O ' ' O ' ' A' ' 54' ' ' VAL . 82.4 mt-30 -92.24 21.79 4.92 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.191 -1.182 . . . . 0.0 109.031 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.432 ' O ' ' O ' ' A' ' 53' ' ' GLN . 2.7 t 58.53 156.4 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 O-C-N 121.64 -0.662 . . . . 0.0 109.519 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 55.8 t0 . . . . . 0 N--CA 1.493 1.686 0 CA-C-O 118.056 -0.973 . . . . 0.0 109.576 -179.777 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 . . . . . 0 N--CA 1.492 1.631 0 CA-C-O 121.531 0.681 . . . . 0.0 109.861 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 20.8 mt -72.9 -28.51 62.52 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.39 -0.819 . . . . 0.0 111.148 -178.328 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -62.21 -56.97 13.35 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 120.765 -1.21 . . . . 0.0 111.51 -178.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.76 -41.28 99.87 Favored Glycine 0 N--CA 1.493 2.477 0 N-CA-C 109.847 -1.301 . . . . 0.0 109.847 -179.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . 0.427 ' O ' ' N ' ' B' ' 9' ' ' GLN . 93.6 mt -60.21 -39.94 82.15 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.598 0 O-C-N 121.387 -1.067 . . . . 0.0 110.633 -179.557 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 66.0 t0 -55.1 -49.15 72.43 Favored 'General case' 0 C--N 1.301 -1.538 0 C-N-CA 118.861 -1.136 . . . . 0.0 108.845 -179.195 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 58.6 mttp -69.59 -39.8 77.08 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.093 -1.005 . . . . 0.0 109.275 179.094 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.52 -37.36 82.66 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.456 -0.777 . . . . 0.0 109.905 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . 0.427 ' N ' ' O ' ' B' ' 5' ' ' ILE . 58.3 tt0 -59.06 -39.68 82.8 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.071 -1.018 . . . . 0.0 109.573 -179.007 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 78.4 tt0 -62.27 -42.91 99.75 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.152 -0.968 . . . . 0.0 108.827 179.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 26.4 tp10 -60.0 -40.43 89.2 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.253 -0.904 . . . . 0.0 108.867 179.253 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . 0.554 ' O ' ' N ' ' B' ' 16' ' ' HIS . 14.0 t60 -60.23 -45.6 92.67 Favored 'General case' 0 C--N 1.305 -1.365 0 C-N-CA 119.295 -0.962 . . . . 0.0 109.614 179.731 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.15 -41.98 97.73 Favored 'General case' 0 C--N 1.296 -1.738 0 O-C-N 121.414 -0.804 . . . . 0.0 110.313 -179.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 26.3 mtpp -61.09 -37.95 84.52 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.459 -0.776 . . . . 0.0 112.911 -178.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -134.63 -2.2 2.72 Favored 'General case' 0 N--CA 1.506 2.331 0 O-C-N 120.984 -1.073 . . . . 0.0 112.361 -176.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.554 ' N ' ' O ' ' B' ' 12' ' ' HIS . 81.7 m-70 54.09 40.46 31.67 Favored 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 107.14 -1.43 . . . . 0.0 107.14 -177.451 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 87.1 p -60.81 156.26 17.56 Favored 'General case' 0 C--N 1.303 -1.425 0 C-N-CA 119.966 -0.694 . . . . 0.0 110.314 -178.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 18.8 m120 -74.59 160.96 30.18 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.459 -0.775 . . . . 0.0 109.08 179.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 34.6 p-90 -57.4 -30.51 64.99 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.034 -1.041 . . . . 0.0 110.266 -179.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -61.92 -40.45 95.54 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.987 -1.071 . . . . 0.0 110.266 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.82 -48.75 57.83 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.176 -0.953 . . . . 0.0 109.591 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 79.0 mtm -60.55 -39.73 88.98 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.318 -0.864 . . . . 0.0 109.665 -179.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . 0.435 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -59.45 -46.0 90.01 Favored 'General case' 0 N--CA 1.491 1.592 0 C-N-CA 119.328 -0.949 . . . . 0.0 109.114 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 73.1 m -69.81 -37.43 76.26 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.409 -0.807 . . . . 0.0 110.428 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -60.46 -40.33 90.84 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.431 -0.793 . . . . 0.0 110.767 -178.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -111.76 5.0 18.84 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.516 -0.74 . . . . 0.0 109.847 -179.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . 0.435 ' N ' ' O ' ' B' ' 23' ' ' ALA . 81.1 m-20 54.52 42.32 31.4 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.508 -0.745 . . . . 0.0 109.859 179.602 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 68.4 mt -107.24 151.18 40.72 Favored Pre-proline 0 N--CA 1.502 2.152 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 179.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_endo -60.02 162.03 17.54 Favored 'Trans proline' 0 N--CA 1.493 1.487 0 C-N-CA 121.862 1.708 . . . . 0.0 111.185 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . 0.407 ' O ' ' N ' ' B' ' 34' ' ' LYS . 13.1 Cg_endo -56.39 -34.58 94.74 Favored 'Trans proline' 0 C--N 1.304 -1.777 0 C-N-CA 122.243 1.962 . . . . 0.0 111.43 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 55.7 t -54.41 -49.36 65.45 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.646 0 O-C-N 121.192 -0.943 . . . . 0.0 110.057 -179.201 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 92.6 t -67.39 -48.74 76.56 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.756 0 C-N-CA 118.633 -1.227 . . . . 0.0 109.644 -179.196 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.52 -42.92 91.48 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.383 -0.823 . . . . 0.0 110.278 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.407 ' N ' ' O ' ' B' ' 30' ' ' PRO . 10.7 mtpm? -61.41 -36.96 81.76 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.864 -1.148 . . . . 0.0 110.461 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 14.7 tm-20 -61.58 -38.62 88.19 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 120.952 -1.092 . . . . 0.0 110.349 -178.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 79.2 mt -59.25 -40.59 81.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 120.683 -1.261 . . . . 0.0 108.248 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 88.9 t -63.94 -38.64 82.91 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.587 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 178.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . 0.553 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -59.96 -33.48 71.98 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.551 -0.718 . . . . 0.0 109.798 179.607 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 25.4 m -80.18 -25.99 39.47 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.981 -1.074 . . . . 0.0 109.395 -179.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 47.4 t -81.12 104.51 11.65 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.335 -0.853 . . . . 0.0 109.667 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -61.37 -30.66 70.67 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.384 -0.822 . . . . 0.0 110.825 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 65.0 mttm -71.1 -40.97 71.19 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.647 -1.283 . . . . 0.0 110.76 -178.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 89.8 m -85.36 -23.7 27.91 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.922 -1.112 . . . . 0.0 109.645 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . 0.553 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 7.1 tt0 -74.92 -69.0 0.49 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.124 -0.985 . . . . 0.0 110.014 -179.383 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 62.5 mt -81.77 104.45 12.17 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.025 -1.047 . . . . 0.0 109.652 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -101.25 66.39 1.11 Allowed 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.372 -0.83 . . . . 0.0 109.158 179.421 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 60.27 -125.67 39.36 Favored Glycine 0 N--CA 1.494 2.526 0 N-CA-C 109.378 -1.489 . . . . 0.0 109.378 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . 0.543 ' O ' ' N ' ' B' ' 50' ' ' MET . 38.2 tt0 47.02 -114.74 0.56 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.165 -1.197 . . . . 0.0 109.502 179.549 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . 50.16 -87.49 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.257 -0.902 . . . . 0.0 110.121 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' MET . . . . . 0.543 ' N ' ' O ' ' B' ' 48' ' ' GLU . 58.5 mtt -143.92 -113.64 0.1 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.307 -0.871 . . . . 0.0 109.344 -179.657 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 71.0 t60 53.95 49.63 18.55 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.251 -0.906 . . . . 0.0 109.046 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -56.33 -171.56 0.13 Allowed Glycine 0 N--CA 1.489 2.17 0 N-CA-C 109.316 -1.514 . . . . 0.0 109.316 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . 0.414 ' O ' ' O ' ' B' ' 54' ' ' VAL . 82.7 mt-30 -93.27 21.72 5.78 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.198 -1.178 . . . . 0.0 109.011 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.414 ' O ' ' O ' ' B' ' 53' ' ' GLN . 2.8 t 58.77 157.19 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.704 -0.622 . . . . 0.0 109.475 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 57.0 t0 . . . . . 0 N--CA 1.491 1.611 0 O-C-N 121.078 -1.014 . . . . 0.0 109.394 179.992 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 . . . . . 0 N--CA 1.487 1.414 0 CA-C-O 121.599 0.714 . . . . 0.0 109.686 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 33.7 mt -70.48 -38.5 74.4 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.466 -0.771 . . . . 0.0 111.367 -178.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -63.27 -46.96 84.37 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.744 -1.222 . . . . 0.0 110.274 -178.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.13 -47.53 72.14 Favored Glycine 0 N--CA 1.492 2.418 0 N-CA-C 109.651 -1.379 . . . . 0.0 109.651 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 81.6 mt -59.4 -39.78 79.96 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.71 0 O-C-N 121.61 -0.936 . . . . 0.0 111.14 -179.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -53.97 -46.7 71.73 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.723 -1.235 . . . . 0.0 109.148 -179.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -69.51 -43.23 73.5 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 120.884 -1.135 . . . . 0.0 109.726 178.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.31 -35.32 79.2 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.16 -0.963 . . . . 0.0 109.95 179.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -59.46 -39.66 84.35 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.142 -0.974 . . . . 0.0 109.256 -179.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -60.96 -40.86 94.94 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.199 -0.938 . . . . 0.0 109.051 179.025 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.4 tm-20 -61.71 -42.23 98.67 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.365 -0.834 . . . . 0.0 109.251 179.518 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.552 ' O ' ' N ' ' A' ' 16' ' ' HIS . 22.2 t60 -60.45 -45.51 93.43 Favored 'General case' 0 N--CA 1.486 1.362 0 O-C-N 121.086 -1.009 . . . . 0.0 109.747 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.13 -44.13 95.15 Favored 'General case' 0 C--N 1.298 -1.672 0 O-C-N 121.221 -0.924 . . . . 0.0 110.327 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.7 mtpp -62.11 -32.87 73.49 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.2 -0.938 . . . . 0.0 112.953 -178.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 27.4 m-85 -139.21 -1.65 1.72 Allowed 'General case' 0 N--CA 1.508 2.429 0 O-C-N 120.624 -1.298 . . . . 0.0 112.464 -177.105 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.552 ' N ' ' O ' ' A' ' 12' ' ' HIS . 89.7 m-70 54.76 39.71 31.52 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.498 -1.377 . . . . 0.0 107.317 -178.026 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 95.6 p -60.2 156.49 15.23 Favored 'General case' 0 C--N 1.303 -1.441 0 CA-C-O 121.39 0.614 . . . . 0.0 110.732 -178.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -74.1 155.88 38.0 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 179.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 39.5 p-90 -56.2 -29.83 61.46 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.958 -1.089 . . . . 0.0 109.561 -179.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 55.9 mtp180 -62.86 -40.23 96.85 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.834 -1.166 . . . . 0.0 109.868 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.21 -48.59 61.59 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.172 -0.955 . . . . 0.0 108.964 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 77.1 mtm -59.97 -41.46 92.02 Favored 'General case' 0 N--CA 1.49 1.53 0 C-N-CA 119.43 -0.908 . . . . 0.0 109.237 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -58.11 -46.0 86.31 Favored 'General case' 0 C--N 1.297 -1.701 0 C-N-CA 118.864 -1.134 . . . . 0.0 109.56 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 18.6 t -70.65 -38.02 73.78 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.345 -0.847 . . . . 0.0 111.212 -179.313 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -59.64 -43.05 93.99 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.075 -1.016 . . . . 0.0 109.907 -178.46 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -107.25 1.22 23.76 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.6 -0.687 . . . . 0.0 110.378 -179.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.453 ' N ' ' O ' ' A' ' 23' ' ' ALA . 66.9 t30 55.45 52.14 11.74 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.152 -0.967 . . . . 0.0 110.138 179.225 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 90.4 mt -118.61 150.59 48.46 Favored Pre-proline 0 N--CA 1.498 1.969 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 179.567 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_endo -59.97 149.27 85.08 Favored 'Trans proline' 0 N--CA 1.493 1.462 0 C-N-CA 121.934 1.756 . . . . 0.0 112.053 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.56 ' O ' ' N ' ' A' ' 34' ' ' LYS . 31.6 Cg_exo -43.24 -35.78 5.54 Favored 'Trans proline' 0 N--CA 1.486 1.047 0 C-N-CA 121.767 1.645 . . . . 0.0 112.029 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 88.8 t -52.8 -50.33 43.18 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.863 0 O-C-N 121.302 -0.874 . . . . 0.0 110.146 -178.099 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 47.4 t -67.1 -49.76 70.2 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.669 0 C-N-CA 118.578 -1.249 . . . . 0.0 109.495 -178.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.71 -41.87 91.81 Favored 'General case' 0 C--N 1.303 -1.448 0 C-N-CA 119.631 -0.828 . . . . 0.0 109.798 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.56 ' N ' ' O ' ' A' ' 30' ' ' PRO . 1.9 mmmp? -61.77 -38.11 86.82 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.005 -1.059 . . . . 0.0 110.233 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.6 tm-20 -61.15 -38.32 86.02 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 120.895 -1.128 . . . . 0.0 109.337 -178.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 81.2 mt -59.88 -39.88 81.25 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.342 0 O-C-N 121.092 -1.005 . . . . 0.0 109.678 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 71.2 t -63.43 -39.92 87.11 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.465 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 179.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.401 ' O ' ' OE1' ' A' ' 44' ' ' GLN . . . -61.1 -30.61 70.46 Favored 'General case' 0 C--N 1.301 -1.522 0 CA-C-O 121.378 0.609 . . . . 0.0 110.288 179.41 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.1 m -80.85 -20.5 42.24 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 120.824 -1.173 . . . . 0.0 109.965 -178.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 43.7 t -85.03 107.12 17.0 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.365 -0.834 . . . . 0.0 109.212 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -60.05 -32.59 71.07 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.348 -0.845 . . . . 0.0 110.259 -179.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 58.5 mttm -70.9 -42.91 69.35 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 120.989 -1.069 . . . . 0.0 110.935 -178.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 94.0 m -86.34 -23.68 26.13 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.447 -1.408 . . . . 0.0 109.754 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.401 ' OE1' ' O ' ' A' ' 38' ' ' ALA . 13.9 tt0 -78.52 -71.82 0.41 Allowed 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.157 -0.965 . . . . 0.0 109.193 -179.526 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 32.5 mt -81.93 94.73 7.18 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.585 -1.322 . . . . 0.0 109.214 179.333 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 63.7 mttm -89.11 9.81 24.11 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.432 -0.792 . . . . 0.0 109.218 179.389 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.07 30.55 22.64 Favored Glycine 0 N--CA 1.497 2.73 0 N-CA-C 109.794 -1.322 . . . . 0.0 109.794 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -81.82 -8.92 59.73 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.252 -1.146 . . . . 0.0 110.585 -179.264 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.467 ' O ' ' O ' ' B' ' 49' ' ' ALA . . . -101.8 59.69 0.86 Allowed 'General case' 0 N--CA 1.504 2.23 0 O-C-N 121.088 -1.007 . . . . 0.0 110.28 -179.681 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 64.0 mtt -74.94 129.29 37.39 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.136 -0.977 . . . . 0.0 109.938 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 76.9 t60 -59.58 -44.12 93.42 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.225 -0.922 . . . . 0.0 109.252 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 135.11 162.17 9.65 Favored Glycine 0 N--CA 1.495 2.584 0 N-CA-C 108.428 -1.869 . . . . 0.0 108.428 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.414 ' O ' ' O ' ' A' ' 54' ' ' VAL . 13.7 pt20 -90.38 15.47 10.55 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.091 -1.24 . . . . 0.0 109.65 -179.792 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.414 ' O ' ' O ' ' A' ' 53' ' ' GLN . 8.8 t 56.84 164.65 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.484 -0.76 . . . . 0.0 109.839 179.252 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 61.6 t0 . . . . . 0 N--CA 1.495 1.811 0 CA-C-O 118.187 -0.911 . . . . 0.0 109.884 -179.066 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 121.319 0.581 . . . . 0.0 109.942 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 34.7 mt -70.54 -37.6 74.07 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.367 -0.833 . . . . 0.0 111.583 -178.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -63.94 -46.32 85.25 Favored 'General case' 0 C--N 1.298 -1.632 0 O-C-N 120.838 -1.164 . . . . 0.0 110.371 -178.517 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.49 -47.32 63.39 Favored Glycine 0 N--CA 1.492 2.418 0 N-CA-C 109.469 -1.452 . . . . 0.0 109.469 -179.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . 0.409 ' O ' ' N ' ' B' ' 9' ' ' GLN . 82.3 mt -59.01 -39.35 78.12 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.559 0 O-C-N 121.557 -0.967 . . . . 0.0 110.331 179.791 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 79.5 m-20 -54.2 -47.52 72.0 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 118.424 -1.31 . . . . 0.0 108.951 -179.108 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -69.36 -41.69 76.24 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.904 -1.122 . . . . 0.0 110.051 179.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.7 -35.44 77.19 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.067 -1.021 . . . . 0.0 109.582 179.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . 0.409 ' N ' ' O ' ' B' ' 5' ' ' ILE . 55.3 tt0 -57.83 -40.67 80.59 Favored 'General case' 0 C--N 1.302 -1.458 0 C-N-CA 119.171 -1.012 . . . . 0.0 109.237 -179.581 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -60.16 -42.0 93.97 Favored 'General case' 0 N--CA 1.491 1.575 0 C-N-CA 119.602 -0.839 . . . . 0.0 109.154 178.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -60.51 -41.36 94.18 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 120.774 -1.204 . . . . 0.0 109.215 179.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . 0.568 ' O ' ' N ' ' B' ' 16' ' ' HIS . 20.6 t60 -60.9 -46.22 91.5 Favored 'General case' 0 C--N 1.3 -1.55 0 C-N-CA 119.404 -0.919 . . . . 0.0 110.083 -179.673 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -60.22 -41.14 92.42 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.229 -0.919 . . . . 0.0 110.329 -179.309 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -64.34 -33.03 74.91 Favored 'General case' 0 C--N 1.297 -1.682 0 O-C-N 121.303 -0.873 . . . . 0.0 112.859 -178.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -139.62 -1.92 1.61 Allowed 'General case' 0 N--CA 1.508 2.46 0 O-C-N 120.764 -1.21 . . . . 0.0 112.383 -176.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.568 ' N ' ' O ' ' B' ' 12' ' ' HIS . 90.0 m-70 55.31 40.81 31.6 Favored 'General case' 0 N--CA 1.491 1.582 0 N-CA-C 106.932 -1.507 . . . . 0.0 106.932 -178.076 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 92.8 p -61.08 155.35 20.62 Favored 'General case' 0 N--CA 1.492 1.664 0 CA-C-O 121.581 0.705 . . . . 0.0 110.576 -178.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -73.21 157.57 36.89 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.484 -0.76 . . . . 0.0 108.981 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 46.0 p-90 -57.31 -29.89 64.29 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.837 -1.164 . . . . 0.0 109.535 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 55.6 mtp180 -61.97 -40.44 95.6 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.015 -1.053 . . . . 0.0 109.829 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.44 -48.49 60.77 Favored 'General case' 0 C--N 1.302 -1.493 0 C-N-CA 119.253 -0.979 . . . . 0.0 109.282 179.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 78.5 mtm -60.44 -40.84 92.56 Favored 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 119.441 -0.903 . . . . 0.0 109.746 -179.188 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -59.05 -45.98 89.4 Favored 'General case' 0 C--N 1.295 -1.797 0 O-C-N 120.992 -1.067 . . . . 0.0 109.539 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 23.2 t -70.38 -38.84 74.8 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.181 -0.95 . . . . 0.0 110.685 -179.534 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -58.91 -42.27 89.25 Favored 'General case' 0 N--CA 1.494 1.741 0 C-N-CA 119.468 -0.893 . . . . 0.0 110.334 -178.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -107.89 1.1 22.47 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.422 -0.799 . . . . 0.0 109.997 -179.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . 0.444 ' N ' ' O ' ' B' ' 23' ' ' ALA . 67.1 t30 55.8 53.12 9.79 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.126 -0.983 . . . . 0.0 110.083 179.74 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 86.6 mt -119.37 151.42 51.24 Favored Pre-proline 0 N--CA 1.501 2.081 0 N-CA-C 108.188 -1.041 . . . . 0.0 108.188 179.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_endo -60.69 150.71 80.96 Favored 'Trans proline' 0 N--CA 1.493 1.447 0 C-N-CA 121.781 1.654 . . . . 0.0 111.933 -179.353 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . 0.5 ' O ' ' N ' ' B' ' 34' ' ' LYS . 34.0 Cg_exo -43.81 -35.7 7.1 Favored 'Trans proline' 0 C--N 1.312 -1.369 0 C-N-CA 121.861 1.707 . . . . 0.0 111.722 179.612 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 86.0 t -53.02 -50.67 43.73 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.731 0 O-C-N 121.142 -0.974 . . . . 0.0 110.454 -178.072 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 46.5 t -67.25 -49.3 73.65 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.642 0 C-N-CA 118.947 -1.101 . . . . 0.0 109.118 -179.131 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.86 -42.86 89.87 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.029 -1.044 . . . . 0.0 110.15 179.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.5 ' N ' ' O ' ' B' ' 30' ' ' PRO . 2.0 mmmp? -61.56 -38.76 88.64 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 120.987 -1.07 . . . . 0.0 110.207 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 14.6 tm-20 -60.19 -38.32 82.9 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 119.07 -1.052 . . . . 0.0 109.115 -179.036 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 86.3 mt -59.88 -40.27 82.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 120.965 -1.085 . . . . 0.0 109.698 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 77.9 t -62.99 -39.44 85.21 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.658 0 O-C-N 120.93 -1.106 . . . . 0.0 108.673 179.546 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . 0.552 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -61.81 -32.1 72.38 Favored 'General case' 0 N--CA 1.49 1.551 0 CA-C-O 121.404 0.621 . . . . 0.0 109.591 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 6.3 m -78.09 -23.98 47.77 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.153 -0.967 . . . . 0.0 110.356 -179.01 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 40.4 t -82.94 107.3 15.45 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.1 -1.0 . . . . 0.0 109.841 179.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -59.97 -31.31 69.77 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.388 -0.82 . . . . 0.0 110.798 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 62.7 mttm -72.16 -40.75 67.75 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 120.898 -1.126 . . . . 0.0 110.776 -178.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 84.3 m -89.0 -23.47 22.61 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 120.774 -1.203 . . . . 0.0 109.333 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . 0.552 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 51.0 tt0 -77.4 -69.5 0.53 Allowed 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.333 -0.854 . . . . 0.0 109.645 -179.726 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 31.9 mt -84.83 96.08 9.19 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.118 -0.989 . . . . 0.0 108.948 179.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 63.0 mttm -89.8 8.96 29.26 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.097 -1.002 . . . . 0.0 109.451 179.214 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.04 31.5 17.2 Favored Glycine 0 N--CA 1.501 2.988 0 N-CA-C 109.425 -1.47 . . . . 0.0 109.425 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -83.67 -5.71 59.25 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.396 -1.061 . . . . 0.0 110.459 -179.27 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . 0.467 ' O ' ' O ' ' A' ' 49' ' ' ALA . . . -104.57 59.3 0.7 Allowed 'General case' 0 N--CA 1.502 2.141 0 O-C-N 121.137 -0.977 . . . . 0.0 109.581 -179.45 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 61.9 mtt -75.73 131.13 39.64 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.068 -1.02 . . . . 0.0 110.262 -179.479 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 75.2 t60 -62.16 -42.18 99.01 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.091 -1.006 . . . . 0.0 109.218 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 133.68 162.67 10.14 Favored Glycine 0 N--CA 1.493 2.496 0 N-CA-C 108.34 -1.904 . . . . 0.0 108.34 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . 0.406 ' O ' ' O ' ' B' ' 54' ' ' VAL . 12.2 pt20 -91.11 15.85 10.9 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.466 -1.02 . . . . 0.0 109.498 -179.787 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.406 ' O ' ' O ' ' B' ' 53' ' ' GLN . 12.5 t 56.76 164.3 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.617 -0.677 . . . . 0.0 110.356 179.576 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 61.0 t0 . . . . . 0 N--CA 1.494 1.728 0 CA-C-O 118.176 -0.916 . . . . 0.0 109.66 -179.845 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 . . . . . 0 N--CA 1.491 1.586 0 CA-C-O 121.358 0.599 . . . . 0.0 110.173 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 33.1 mt -72.47 -43.46 63.68 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.269 -0.894 . . . . 0.0 111.463 -177.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -66.9 -48.26 69.26 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.989 -1.069 . . . . 0.0 111.06 -178.126 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.75 -47.34 90.95 Favored Glycine 0 N--CA 1.494 2.5 0 N-CA-C 109.892 -1.283 . . . . 0.0 109.892 -179.294 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.492 ' O ' ' N ' ' A' ' 9' ' ' GLN . 87.1 mt -59.24 -39.87 79.82 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.511 0 O-C-N 121.345 -1.091 . . . . 0.0 110.116 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 -53.59 -43.6 68.71 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 120.81 -1.181 . . . . 0.0 109.097 -179.31 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -69.7 -45.28 68.61 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.965 -1.084 . . . . 0.0 108.985 178.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.33 -33.83 76.61 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.39 -0.819 . . . . 0.0 109.304 179.418 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.492 ' N ' ' O ' ' A' ' 5' ' ' ILE . 53.0 tt0 -58.71 -40.08 82.66 Favored 'General case' 0 C--N 1.302 -1.485 0 C-N-CA 119.367 -0.933 . . . . 0.0 109.158 -179.72 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 34.4 tp10 -62.34 -42.13 99.14 Favored 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 119.281 -0.968 . . . . 0.0 108.734 179.141 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 35.6 tp10 -60.49 -41.84 95.08 Favored 'General case' 0 N--CA 1.492 1.643 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 179.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.557 ' O ' ' N ' ' A' ' 16' ' ' HIS . 15.0 t60 -60.88 -47.8 84.72 Favored 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 119.705 -0.798 . . . . 0.0 109.909 179.635 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 32.9 tp10 -60.41 -41.35 93.73 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.287 -0.883 . . . . 0.0 110.029 -179.024 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 56.5 mtpt -60.73 -35.81 77.29 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.326 -0.859 . . . . 0.0 112.753 -178.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -136.38 -3.86 2.13 Favored 'General case' 0 N--CA 1.508 2.473 0 O-C-N 120.772 -1.205 . . . . 0.0 112.759 -177.29 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.557 ' N ' ' O ' ' A' ' 12' ' ' HIS . 87.5 m-70 54.54 43.61 30.01 Favored 'General case' 0 N--CA 1.498 1.955 0 N-CA-C 107.421 -1.326 . . . . 0.0 107.421 -177.432 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 87.3 p -64.95 155.31 34.85 Favored 'General case' 0 N--CA 1.486 1.331 0 CA-C-O 121.611 0.719 . . . . 0.0 110.626 -178.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -71.15 159.13 35.24 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.22 -0.925 . . . . 0.0 108.679 179.338 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 37.8 p-90 -56.91 -29.83 63.4 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.005 -1.059 . . . . 0.0 111.214 -178.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 62.1 mtp180 -61.56 -40.8 96.02 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.889 -1.132 . . . . 0.0 110.334 -179.635 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.54 -49.06 65.07 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.155 -0.965 . . . . 0.0 109.389 -179.602 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 78.3 mtm -60.23 -41.13 92.45 Favored 'General case' 0 C--N 1.303 -1.452 0 C-N-CA 119.588 -0.845 . . . . 0.0 109.386 179.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.51 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -58.76 -47.07 85.97 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.413 -0.804 . . . . 0.0 108.964 179.799 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 35.7 t -69.71 -38.22 76.84 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.594 -0.691 . . . . 0.0 110.464 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -60.59 -40.07 90.4 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.23 -0.919 . . . . 0.0 110.014 -179.012 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -108.93 -0.06 19.88 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.435 -0.79 . . . . 0.0 109.871 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.51 ' N ' ' O ' ' A' ' 23' ' ' ALA . 18.4 t-20 56.21 47.44 19.38 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.277 -0.889 . . . . 0.0 109.264 -179.802 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 83.4 mt -113.64 153.04 45.93 Favored Pre-proline 0 N--CA 1.501 2.086 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -60.13 163.27 14.69 Favored 'Trans proline' 0 C--N 1.314 -1.261 0 C-N-CA 121.449 1.433 . . . . 0.0 110.819 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.445 ' O ' ' N ' ' A' ' 34' ' ' LYS . 18.5 Cg_endo -58.96 -32.23 97.1 Favored 'Trans proline' 0 C--N 1.296 -2.2 0 C-N-CA 122.223 1.949 . . . . 0.0 111.743 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 49.3 t -56.56 -47.71 81.57 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.693 0 O-C-N 120.715 -1.241 . . . . 0.0 109.858 -178.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 57.8 t -67.46 -50.13 64.76 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.688 0 C-N-CA 118.852 -1.139 . . . . 0.0 108.976 -179.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.39 -46.15 84.55 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.328 -0.857 . . . . 0.0 110.301 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 30' ' ' PRO . 10.2 mtpm? -60.88 -36.1 78.34 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.776 -1.203 . . . . 0.0 109.88 179.604 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -60.87 -38.66 86.35 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 119.062 -1.055 . . . . 0.0 110.358 -178.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 48.3 mt -59.86 -39.97 81.48 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 120.921 -1.112 . . . . 0.0 108.335 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 95.5 t -61.18 -39.92 84.12 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 178.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.79 -32.05 70.26 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.54 -0.725 . . . . 0.0 109.775 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.9 m -78.88 -29.1 44.21 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.194 -0.941 . . . . 0.0 109.229 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 51.2 t -81.19 102.09 10.1 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.21 -0.931 . . . . 0.0 109.447 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -60.89 -31.24 70.73 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.213 -0.929 . . . . 0.0 110.213 -179.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp -67.86 -40.76 83.6 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.283 -0.886 . . . . 0.0 110.401 -178.496 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 88.4 m -86.67 -28.72 22.98 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.757 -1.215 . . . . 0.0 110.153 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 47.2 tt0 -72.07 -59.52 2.7 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.002 -1.061 . . . . 0.0 110.867 -178.428 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 92.0 mt -80.93 36.87 0.41 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.233 -0.917 . . . . 0.0 109.975 -178.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.441 ' O ' ' O ' ' A' ' 47' ' ' GLY . 51.7 tttp -81.88 116.51 21.57 Favored 'General case' 0 C--N 1.297 -1.674 0 O-C-N 121.299 -0.875 . . . . 0.0 109.453 -179.522 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.441 ' O ' ' O ' ' A' ' 46' ' ' LYS . . . 57.67 154.66 0.01 OUTLIER Glycine 0 N--CA 1.493 2.442 0 N-CA-C 110.257 -1.137 . . . . 0.0 110.257 179.648 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.4 mp0 57.46 44.14 21.84 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.495 -1.003 . . . . 0.0 110.196 179.359 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -128.65 -87.48 0.55 Allowed 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.469 -0.769 . . . . 0.0 109.114 179.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 56.2 mtt -79.66 139.01 37.54 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.093 -1.004 . . . . 0.0 109.644 -179.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 51.5 t-80 -58.49 -38.45 77.67 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.155 -0.965 . . . . 0.0 108.975 179.448 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.449 ' O ' ' O ' ' A' ' 53' ' ' GLN . . . 76.72 -152.16 40.47 Favored Glycine 0 N--CA 1.491 2.353 0 N-CA-C 110.48 -1.048 . . . . 0.0 110.48 179.253 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.449 ' O ' ' O ' ' A' ' 52' ' ' GLY . 90.7 mt-30 55.44 113.57 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.728 -0.866 . . . . 0.0 110.35 -179.711 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.509 ' CG1' ' N ' ' A' ' 55' ' ' ASP . 0.4 OUTLIER 69.5 -170.76 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.807 0 O-C-N 121.566 -0.709 . . . . 0.0 109.089 -179.804 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.509 ' N ' ' CG1' ' A' ' 54' ' ' VAL . 47.3 t0 . . . . . 0 C--N 1.299 -1.595 0 CA-C-O 118.021 -0.99 . . . . 0.0 109.564 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 . . . . . 0 N--CA 1.49 1.561 0 CA-C-O 121.379 0.609 . . . . 0.0 110.169 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 30.7 mt -72.27 -43.84 63.7 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.323 -0.86 . . . . 0.0 111.558 -178.032 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -66.65 -47.73 71.61 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.837 -1.164 . . . . 0.0 111.112 -178.101 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.33 -47.27 90.82 Favored Glycine 0 N--CA 1.492 2.419 0 N-CA-C 109.918 -1.273 . . . . 0.0 109.918 -179.247 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . 0.401 ' O ' ' N ' ' B' ' 9' ' ' GLN . 86.8 mt -59.55 -39.05 78.34 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.516 0 O-C-N 121.595 -0.944 . . . . 0.0 110.209 -179.775 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -53.88 -43.44 69.61 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 120.682 -1.261 . . . . 0.0 109.243 -179.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -69.79 -45.1 68.72 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.072 -1.017 . . . . 0.0 108.983 179.124 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.3 -34.38 77.85 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.444 -0.785 . . . . 0.0 109.14 179.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . 0.401 ' N ' ' O ' ' B' ' 5' ' ' ILE . 53.4 tt0 -58.52 -40.3 82.51 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.277 -0.89 . . . . 0.0 109.075 -179.683 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 36.0 tp10 -62.06 -42.36 99.11 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.036 -1.04 . . . . 0.0 108.857 178.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 33.7 tp10 -60.77 -41.52 95.66 Favored 'General case' 0 N--CA 1.491 1.576 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 179.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . 0.579 ' O ' ' N ' ' B' ' 16' ' ' HIS . 14.9 t60 -60.82 -48.28 82.54 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.294 -0.879 . . . . 0.0 109.988 179.379 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 33.4 tp10 -60.11 -41.63 92.98 Favored 'General case' 0 C--N 1.297 -1.715 0 O-C-N 121.252 -0.905 . . . . 0.0 110.316 -178.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -60.9 -34.71 75.09 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.423 -0.798 . . . . 0.0 112.571 -178.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -136.95 -4.02 1.98 Allowed 'General case' 0 N--CA 1.512 2.636 0 O-C-N 120.721 -1.237 . . . . 0.0 112.819 -177.157 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.579 ' N ' ' O ' ' B' ' 12' ' ' HIS . 87.8 m-70 54.37 43.39 30.53 Favored 'General case' 0 N--CA 1.497 1.904 0 N-CA-C 107.529 -1.286 . . . . 0.0 107.529 -177.421 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 92.2 p -64.47 155.24 33.37 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.624 -0.672 . . . . 0.0 110.536 -178.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -71.61 159.56 34.21 Favored 'General case' 0 N--CA 1.489 1.512 0 N-CA-C 108.766 -0.828 . . . . 0.0 108.766 179.211 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 34.7 p-90 -56.98 -29.92 63.68 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.023 -1.048 . . . . 0.0 110.929 -178.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 61.4 mtp180 -61.68 -41.4 97.52 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.619 -1.301 . . . . 0.0 110.393 -179.593 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.83 -49.24 66.38 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.211 -0.931 . . . . 0.0 109.279 -179.38 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 78.4 mtm -60.1 -40.92 91.32 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 119.662 -0.815 . . . . 0.0 109.524 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . 0.524 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -58.88 -47.04 86.33 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.46 -0.775 . . . . 0.0 109.174 179.738 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 31.9 t -69.85 -38.28 76.4 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.459 -0.775 . . . . 0.0 110.436 179.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -60.06 -40.51 89.72 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.016 -1.053 . . . . 0.0 109.961 -179.056 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -109.05 -0.1 19.65 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.451 -0.781 . . . . 0.0 109.947 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . 0.524 ' N ' ' O ' ' B' ' 23' ' ' ALA . 17.6 t-20 56.24 47.03 20.15 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.312 -0.867 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 83.6 mt -112.97 153.4 45.26 Favored Pre-proline 0 N--CA 1.502 2.168 0 N-CA-C 108.361 -0.977 . . . . 0.0 108.361 179.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -60.21 163.0 15.43 Favored 'Trans proline' 0 C--N 1.314 -1.268 0 C-N-CA 121.545 1.496 . . . . 0.0 110.991 179.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . 0.421 ' O ' ' N ' ' B' ' 34' ' ' LYS . 19.2 Cg_endo -58.84 -32.2 96.77 Favored 'Trans proline' 0 C--N 1.3 -2.0 0 C-N-CA 122.171 1.914 . . . . 0.0 111.563 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 61.9 t -56.47 -48.29 80.39 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.716 0 O-C-N 121.035 -1.041 . . . . 0.0 109.795 -178.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 60.3 t -67.2 -49.96 67.7 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.711 0 C-N-CA 118.786 -1.165 . . . . 0.0 109.052 -179.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.15 -45.92 86.32 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.316 -0.865 . . . . 0.0 110.124 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.421 ' N ' ' O ' ' B' ' 30' ' ' PRO . 10.3 mtpm? -61.15 -36.19 79.12 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.767 -1.208 . . . . 0.0 109.849 179.744 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.0 tm-20 -60.86 -39.05 87.7 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.005 -1.06 . . . . 0.0 110.065 -178.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 49.3 mt -59.12 -40.51 81.12 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 120.795 -1.191 . . . . 0.0 108.65 179.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 84.3 t -61.37 -39.84 84.15 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 N-CA-C 108.081 -1.081 . . . . 0.0 108.081 179.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . 0.535 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -59.89 -32.48 70.78 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.555 -0.716 . . . . 0.0 109.501 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 49.6 m -78.39 -28.8 47.0 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.14 -0.975 . . . . 0.0 109.373 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 53.1 t -81.42 102.15 10.32 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.295 -0.878 . . . . 0.0 109.433 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -61.14 -31.16 70.88 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.342 -0.849 . . . . 0.0 110.23 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 26.9 mtpp -68.35 -39.96 81.66 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.081 -1.012 . . . . 0.0 110.518 -178.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 88.9 m -86.95 -29.06 22.34 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 120.931 -1.105 . . . . 0.0 110.252 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . 0.535 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 6.3 tt0 -71.89 -59.5 2.72 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.049 -1.032 . . . . 0.0 111.003 -178.618 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 92.7 mt -80.97 37.12 0.42 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.255 -0.903 . . . . 0.0 110.053 -179.028 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . 0.444 ' O ' ' O ' ' B' ' 47' ' ' GLY . 51.7 tttp -82.04 116.27 21.56 Favored 'General case' 0 C--N 1.296 -1.747 0 O-C-N 121.465 -0.772 . . . . 0.0 109.349 -179.743 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . 0.444 ' O ' ' O ' ' B' ' 46' ' ' LYS . . . 57.56 154.44 0.01 OUTLIER Glycine 0 N--CA 1.492 2.373 0 N-CA-C 110.401 -1.08 . . . . 0.0 110.401 179.709 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . 0.405 ' CD ' ' N ' ' B' ' 48' ' ' GLU . 8.7 mp0 57.85 43.99 20.78 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.605 -0.938 . . . . 0.0 110.408 179.31 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -128.76 -87.29 0.55 Allowed 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.57 -0.706 . . . . 0.0 109.193 179.416 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 56.6 mtt -79.36 139.55 37.73 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.283 -0.886 . . . . 0.0 109.644 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 52.0 t-80 -58.97 -38.57 79.43 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.252 -0.905 . . . . 0.0 108.99 179.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . 0.441 ' O ' ' O ' ' B' ' 53' ' ' GLN . . . 77.12 -152.38 40.07 Favored Glycine 0 N--CA 1.492 2.432 0 N-CA-C 110.261 -1.136 . . . . 0.0 110.261 179.419 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . 0.441 ' O ' ' O ' ' B' ' 52' ' ' GLY . 91.8 mt-30 55.59 113.83 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.734 -0.862 . . . . 0.0 110.315 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.522 ' CG1' ' N ' ' B' ' 55' ' ' ASP . 0.4 OUTLIER 69.1 -169.97 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.916 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 -179.746 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . 0.522 ' N ' ' CG1' ' B' ' 54' ' ' VAL . 45.8 t0 . . . . . 0 N--CA 1.491 1.61 0 CA-C-O 117.876 -1.059 . . . . 0.0 109.417 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 . . . . . 0 N--CA 1.491 1.613 0 CA-C-O 121.291 0.567 . . . . 0.0 110.253 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 14.6 mt -70.76 -37.95 73.43 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.372 -0.83 . . . . 0.0 111.747 -177.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 85.6 m-20 -64.33 -45.5 87.57 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.612 -1.305 . . . . 0.0 111.643 -177.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.13 -44.82 59.11 Favored Glycine 0 N--CA 1.492 2.393 0 N-CA-C 109.768 -1.333 . . . . 0.0 109.768 -179.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.464 ' O ' ' N ' ' A' ' 9' ' ' GLN . 94.7 mt -60.05 -40.28 82.77 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.773 0 O-C-N 121.628 -0.925 . . . . 0.0 110.888 -179.371 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -57.16 -47.97 79.87 Favored 'General case' 0 C--N 1.3 -1.571 0 C-N-CA 118.549 -1.26 . . . . 0.0 108.836 -179.452 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -68.8 -43.56 75.36 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.371 -0.831 . . . . 0.0 109.037 178.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.1 -36.09 83.21 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.353 -0.842 . . . . 0.0 109.911 179.327 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.464 ' N ' ' O ' ' A' ' 5' ' ' ILE . 62.0 tt0 -57.9 -40.81 81.22 Favored 'General case' 0 C--N 1.301 -1.523 0 C-N-CA 119.091 -1.044 . . . . 0.0 108.988 -179.022 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -60.26 -41.91 94.25 Favored 'General case' 0 C--N 1.297 -1.68 0 O-C-N 120.81 -1.181 . . . . 0.0 109.168 179.201 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -60.04 -40.37 89.17 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.303 -0.873 . . . . 0.0 108.729 179.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.551 ' O ' ' N ' ' A' ' 16' ' ' HIS . 15.3 t60 -61.67 -45.38 94.26 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.029 -1.044 . . . . 0.0 110.313 179.546 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -61.38 -43.79 98.26 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.041 -1.037 . . . . 0.0 110.96 -179.145 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 54.5 mtpt -61.42 -28.99 69.66 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.577 -0.702 . . . . 0.0 112.635 -178.331 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -139.77 -9.13 1.21 Allowed 'General case' 0 N--CA 1.506 2.35 0 O-C-N 120.818 -1.176 . . . . 0.0 112.154 -177.077 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.551 ' N ' ' O ' ' A' ' 12' ' ' HIS . 92.6 m-70 55.71 42.3 29.45 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.403 -1.436 . . . . 0.0 107.244 -177.707 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 84.8 p -65.04 160.26 21.35 Favored 'General case' 0 N--CA 1.484 1.23 0 O-C-N 121.351 -0.843 . . . . 0.0 110.375 -178.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -74.17 158.02 34.9 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.38 -0.825 . . . . 0.0 109.36 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 28.1 p-90 -57.14 -29.04 63.26 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.137 -0.977 . . . . 0.0 109.778 -179.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 77.6 mtm180 -64.24 -39.89 94.89 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.92 -1.113 . . . . 0.0 109.848 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.56 -50.0 60.56 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.642 -0.661 . . . . 0.0 109.396 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 79.0 mtm -60.67 -40.14 90.99 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.292 -0.88 . . . . 0.0 110.399 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -59.12 -44.42 92.01 Favored 'General case' 0 C--N 1.301 -1.538 0 C-N-CA 119.365 -0.934 . . . . 0.0 109.305 -179.282 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 13.7 m -71.5 -36.99 71.3 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.408 -0.807 . . . . 0.0 110.211 179.395 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -60.65 -39.99 90.4 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.321 -0.862 . . . . 0.0 110.316 -178.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -110.74 0.01 17.22 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.623 -0.673 . . . . 0.0 110.305 -179.259 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.442 ' N ' ' O ' ' A' ' 23' ' ' ALA . 11.3 m120 55.85 49.61 15.7 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.263 -0.898 . . . . 0.0 109.981 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 86.9 mt -116.76 153.49 49.24 Favored Pre-proline 0 N--CA 1.504 2.242 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -59.46 161.43 17.29 Favored 'Trans proline' 0 N--CA 1.492 1.418 0 C-N-CA 121.68 1.587 . . . . 0.0 111.496 179.311 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_endo -56.62 -32.1 89.26 Favored 'Trans proline' 0 C--N 1.304 -1.815 0 C-N-CA 122.589 2.193 . . . . 0.0 111.52 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 46.6 t -58.26 -49.65 81.09 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.843 0 O-C-N 120.872 -1.142 . . . . 0.0 110.1 -178.451 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 59.7 t -66.28 -47.26 84.88 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.739 0 C-N-CA 118.646 -1.221 . . . . 0.0 109.203 -178.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.48 -48.13 76.37 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.158 -0.964 . . . . 0.0 109.984 179.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.1 mtpm? -61.45 -35.42 77.56 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.089 -1.007 . . . . 0.0 110.726 -179.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.8 tm-20 -60.25 -38.39 83.3 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 120.979 -1.076 . . . . 0.0 109.466 -178.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 72.0 mt -60.46 -39.68 81.89 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 120.929 -1.107 . . . . 0.0 108.668 179.165 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 94.8 t -62.96 -38.22 81.39 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.61 0 O-C-N 121.492 -0.755 . . . . 0.0 108.994 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.26 -31.62 70.39 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.507 -0.746 . . . . 0.0 109.708 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.4 m -81.56 -23.06 37.4 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.149 -0.969 . . . . 0.0 110.875 -178.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 43.7 t -82.78 104.27 12.89 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.088 -1.008 . . . . 0.0 108.956 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -60.24 -30.38 69.38 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.398 -0.814 . . . . 0.0 110.405 -179.397 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -71.26 -40.17 71.13 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.164 -0.96 . . . . 0.0 111.404 -178.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 90.0 m -86.77 -17.97 32.23 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.001 -1.062 . . . . 0.0 110.138 -179.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 -74.45 -71.88 0.32 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.954 -1.091 . . . . 0.0 108.786 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 51.8 mt -78.0 112.64 15.12 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 107.201 -1.407 . . . . 0.0 107.201 178.342 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -89.56 130.82 35.82 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.304 -0.873 . . . . 0.0 109.885 -178.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 46.5 -138.88 7.57 Favored Glycine 0 N--CA 1.491 2.316 0 N-CA-C 109.854 -1.299 . . . . 0.0 109.854 179.236 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -72.37 134.55 45.51 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.456 -1.026 . . . . 0.0 109.336 179.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.06 -44.96 17.23 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 120.96 -1.087 . . . . 0.0 109.127 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 22.2 ttt -160.73 113.81 2.02 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.033 -1.042 . . . . 0.0 110.553 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 13.8 t60 -135.73 107.34 6.96 Favored 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 178.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -68.5 167.79 43.68 Favored Glycine 0 N--CA 1.487 2.044 0 N-CA-C 109.322 -1.511 . . . . 0.0 109.322 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -82.39 18.44 1.46 Allowed 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.438 -1.036 . . . . 0.0 109.01 179.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER 50.2 -155.36 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 O-C-N 121.309 -0.87 . . . . 0.0 109.659 179.683 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 . . . . . 0 N--CA 1.49 1.541 0 CA-C-O 117.986 -1.007 . . . . 0.0 109.348 -179.605 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 . . . . . 0 N--CA 1.49 1.559 0 CA-C-O 121.311 0.577 . . . . 0.0 110.011 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 13.8 mt -74.05 -35.66 64.3 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.543 -0.723 . . . . 0.0 111.96 -178.054 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -66.19 -44.07 85.01 Favored 'General case' 0 C--N 1.297 -1.686 0 O-C-N 120.828 -1.17 . . . . 0.0 111.046 -177.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.92 -44.72 45.61 Favored Glycine 0 N--CA 1.488 2.151 0 N-CA-C 109.385 -1.486 . . . . 0.0 109.385 -179.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 94.3 mt -60.07 -40.03 82.1 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.733 0 O-C-N 121.618 -0.93 . . . . 0.0 110.699 -179.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -56.39 -48.46 76.84 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 120.524 -1.36 . . . . 0.0 109.079 -179.419 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 37.1 ttmt -68.11 -43.74 77.72 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.066 -1.021 . . . . 0.0 108.914 178.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.81 -36.86 85.71 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.312 -0.868 . . . . 0.0 109.828 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 60.8 tt0 -56.73 -40.54 75.89 Favored 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 119.631 -0.828 . . . . 0.0 109.375 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.73 -42.89 98.21 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.037 -1.039 . . . . 0.0 109.165 179.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -60.18 -39.89 88.05 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . 0.552 ' O ' ' N ' ' B' ' 16' ' ' HIS . 15.1 t60 -62.56 -44.66 95.79 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.141 -0.974 . . . . 0.0 109.852 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -62.08 -44.23 97.13 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.167 -0.958 . . . . 0.0 110.352 -179.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 57.0 mtpt -60.14 -30.17 69.12 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.418 -0.801 . . . . 0.0 113.101 -177.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -139.59 -8.51 1.26 Allowed 'General case' 0 N--CA 1.507 2.419 0 O-C-N 120.91 -1.119 . . . . 0.0 112.248 -176.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.552 ' N ' ' O ' ' B' ' 12' ' ' HIS . 92.7 m-70 55.22 43.06 29.88 Favored 'General case' 0 N--CA 1.497 1.924 0 N-CA-C 107.452 -1.314 . . . . 0.0 107.452 -177.169 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 84.7 p -64.55 159.46 21.65 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 121.48 -0.762 . . . . 0.0 110.267 -178.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -73.62 157.24 37.0 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.461 -0.774 . . . . 0.0 109.543 179.389 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 24.4 p-90 -56.17 -30.09 61.74 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.053 -1.029 . . . . 0.0 110.525 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 81.7 mtm180 -63.83 -40.3 96.27 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.855 -1.153 . . . . 0.0 109.618 179.688 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.17 -49.47 64.56 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.41 -0.806 . . . . 0.0 109.751 -179.473 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 77.9 mtm -60.18 -39.53 86.81 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.483 -0.761 . . . . 0.0 109.689 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . 0.502 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -59.51 -46.76 87.91 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.248 -0.908 . . . . 0.0 109.619 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 15.2 m -69.97 -37.21 75.7 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.095 -1.003 . . . . 0.0 109.838 179.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -60.64 -40.83 93.41 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.372 -0.83 . . . . 0.0 110.548 -178.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -110.08 -0.14 18.13 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 121.425 -0.797 . . . . 0.0 109.851 179.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . 0.502 ' N ' ' O ' ' B' ' 23' ' ' ALA . 12.7 m120 56.25 49.09 15.95 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.913 -1.117 . . . . 0.0 109.547 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 88.6 mt -115.91 152.74 47.88 Favored Pre-proline 0 N--CA 1.493 1.714 0 N-CA-C 107.873 -1.158 . . . . 0.0 107.873 179.424 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -59.52 162.79 14.15 Favored 'Trans proline' 0 C--N 1.311 -1.424 0 C-N-CA 121.536 1.491 . . . . 0.0 111.554 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -57.9 -32.06 94.16 Favored 'Trans proline' 0 C--N 1.304 -1.795 0 C-N-CA 122.368 2.045 . . . . 0.0 111.862 -179.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 48.6 t -57.97 -48.91 82.92 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.783 0 O-C-N 121.053 -1.029 . . . . 0.0 110.097 -178.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 59.5 t -66.07 -47.96 83.17 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.615 0 C-N-CA 118.765 -1.174 . . . . 0.0 109.406 -178.527 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.73 -47.23 79.04 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.301 -0.874 . . . . 0.0 109.971 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 10.4 mtpm? -61.33 -36.48 80.27 Favored 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 119.29 -0.964 . . . . 0.0 110.275 -179.349 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 -60.09 -38.68 83.65 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.009 -1.057 . . . . 0.0 109.76 -178.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 78.2 mt -59.76 -40.37 82.31 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.412 0 O-C-N 120.963 -1.086 . . . . 0.0 108.797 179.187 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 94.5 t -62.31 -39.22 83.37 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.477 0 O-C-N 121.564 -0.71 . . . . 0.0 109.203 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . 0.485 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -59.66 -32.12 70.17 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.411 -0.806 . . . . 0.0 109.707 179.766 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 57.9 m -80.82 -22.75 39.73 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.293 -0.88 . . . . 0.0 110.508 -179.397 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 44.3 t -82.91 103.58 12.49 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.817 -1.177 . . . . 0.0 109.513 -179.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -60.12 -30.13 69.07 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.097 -1.002 . . . . 0.0 110.416 -179.455 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -71.31 -40.47 70.79 Favored 'General case' 0 N--CA 1.495 1.818 0 C-N-CA 119.203 -0.999 . . . . 0.0 110.931 -178.09 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 97.8 m -85.66 -19.67 30.58 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 120.739 -1.226 . . . . 0.0 109.857 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . 0.485 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 30.0 tt0 -71.45 -71.22 0.27 Allowed 'General case' 0 C--N 1.298 -1.661 0 O-C-N 121.169 -0.957 . . . . 0.0 109.397 -179.147 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 55.9 mt -79.91 114.14 18.61 Favored 'General case' 0 N--CA 1.493 1.685 0 N-CA-C 107.451 -1.315 . . . . 0.0 107.451 178.507 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -90.19 130.14 36.36 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.366 -0.834 . . . . 0.0 109.879 -178.511 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 45.51 -134.44 8.47 Favored Glycine 0 N--CA 1.488 2.144 0 N-CA-C 109.838 -1.305 . . . . 0.0 109.838 179.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -75.04 133.21 41.67 Favored 'General case' 0 C--N 1.304 -1.413 0 O-C-N 121.529 -0.983 . . . . 0.0 109.42 179.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -78.7 -51.45 9.8 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.452 -0.78 . . . . 0.0 108.912 179.6 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 22.3 ttt -155.44 114.31 3.54 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.206 -0.934 . . . . 0.0 110.126 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 17.0 t60 -136.03 104.55 5.73 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.294 -0.879 . . . . 0.0 109.105 179.36 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . 0.419 ' C ' ' H ' ' B' ' 54' ' ' VAL . . . -65.97 167.34 34.93 Favored Glycine 0 N--CA 1.495 2.582 0 N-CA-C 110.219 -1.152 . . . . 0.0 110.219 -179.525 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -80.24 16.43 1.27 Allowed 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.517 -0.99 . . . . 0.0 108.882 179.318 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.419 ' H ' ' C ' ' B' ' 52' ' ' GLY . 1.4 t 52.3 -155.33 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.907 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 179.79 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 . . . . . 0 N--CA 1.491 1.615 0 CA-C-O 117.949 -1.024 . . . . 0.0 109.586 -179.707 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 121.473 0.654 . . . . 0.0 109.881 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 15.3 mt -69.98 -34.7 73.71 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.107 -0.996 . . . . 0.0 111.746 -178.287 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -61.51 -46.3 90.56 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.678 -1.264 . . . . 0.0 110.621 -178.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.63 -46.4 31.56 Favored Glycine 0 N--CA 1.494 2.515 0 N-CA-C 109.416 -1.474 . . . . 0.0 109.416 179.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.463 ' O ' ' N ' ' A' ' 9' ' ' GLN . 78.2 mt -58.69 -39.98 78.04 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.512 0 O-C-N 121.501 -0.999 . . . . 0.0 109.798 -179.702 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 58.7 t0 -56.61 -46.46 80.88 Favored 'General case' 0 C--N 1.301 -1.503 0 C-N-CA 118.635 -1.226 . . . . 0.0 109.096 -179.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -69.51 -43.22 73.52 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.062 -1.024 . . . . 0.0 109.159 178.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.15 -36.95 84.47 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.237 -0.914 . . . . 0.0 109.579 179.075 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.463 ' N ' ' O ' ' A' ' 5' ' ' ILE . 60.4 tt0 -55.62 -40.43 72.11 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.273 -0.892 . . . . 0.0 109.052 -179.367 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 80.0 tt0 -60.02 -41.13 91.53 Favored 'General case' 0 C--N 1.304 -1.387 0 C-N-CA 119.381 -0.927 . . . . 0.0 108.986 179.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -61.47 -39.72 91.92 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.147 -0.97 . . . . 0.0 108.923 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.534 ' O ' ' N ' ' A' ' 16' ' ' HIS . 15.2 t60 -61.73 -43.77 98.2 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.098 -1.001 . . . . 0.0 109.777 179.28 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -60.16 -44.26 95.16 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.157 -0.964 . . . . 0.0 110.166 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 46.8 mtmt -61.5 -32.02 72.04 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.418 -0.802 . . . . 0.0 112.964 -178.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -138.27 -4.47 1.68 Allowed 'General case' 0 N--CA 1.506 2.327 0 O-C-N 120.541 -1.349 . . . . 0.0 112.845 -176.329 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.534 ' N ' ' O ' ' A' ' 12' ' ' HIS . 89.8 m-70 53.87 41.24 32.11 Favored 'General case' 0 N--CA 1.493 1.713 0 N-CA-C 107.578 -1.268 . . . . 0.0 107.578 -177.67 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 89.1 p -60.84 155.44 19.58 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.643 -0.661 . . . . 0.0 111.122 -178.34 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -71.32 159.21 34.99 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 108.863 -0.792 . . . . 0.0 108.863 179.235 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 41.8 p-90 -58.59 -30.79 67.47 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.158 -0.964 . . . . 0.0 110.385 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -63.45 -41.45 98.64 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.841 -1.162 . . . . 0.0 109.889 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.71 -47.79 71.26 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.316 -0.865 . . . . 0.0 109.883 -179.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 77.7 mtm -61.09 -39.47 90.03 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.104 -0.997 . . . . 0.0 109.331 179.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.521 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -57.35 -48.25 79.5 Favored 'General case' 0 C--N 1.303 -1.424 0 C-N-CA 119.552 -0.859 . . . . 0.0 109.242 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 20.4 t -70.05 -36.4 74.99 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.402 -0.811 . . . . 0.0 110.42 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -60.57 -40.23 90.92 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.25 -0.906 . . . . 0.0 110.174 -178.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -113.45 2.49 15.43 Favored 'General case' 0 N--CA 1.505 2.278 0 O-C-N 121.35 -0.844 . . . . 0.0 110.305 179.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.521 ' N ' ' O ' ' A' ' 23' ' ' ALA . 62.7 m-20 55.62 50.34 14.64 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.296 -0.877 . . . . 0.0 110.123 179.785 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 75.3 mt -115.49 151.85 46.46 Favored Pre-proline 0 N--CA 1.503 2.211 0 O-C-N 121.334 -0.854 . . . . 0.0 108.761 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_endo -61.16 150.83 82.64 Favored 'Trans proline' 0 N--CA 1.493 1.489 0 C-N-CA 121.938 1.759 . . . . 0.0 111.882 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -43.7 -41.22 11.35 Favored 'Trans proline' 0 C--N 1.313 -1.302 0 C-N-CA 122.202 1.935 . . . . 0.0 112.441 179.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 88.5 t -51.67 -50.24 31.86 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.913 0 O-C-N 121.138 -0.976 . . . . 0.0 110.441 -178.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 63.6 t -64.89 -48.61 83.55 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.646 0 C-N-CA 118.255 -1.378 . . . . 0.0 109.307 -178.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.58 -46.04 80.92 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.512 -0.743 . . . . 0.0 110.506 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 42.3 mtmt -62.44 -34.58 77.06 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 120.796 -1.19 . . . . 0.0 109.502 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.0 tm-20 -61.05 -39.32 89.37 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.135 -0.978 . . . . 0.0 109.725 -179.369 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 50.7 mt -59.36 -39.98 80.36 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 179.361 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 93.7 t -62.96 -39.63 85.87 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 O-C-N 121.357 -0.839 . . . . 0.0 108.791 179.169 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.72 -31.98 70.11 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.385 -0.822 . . . . 0.0 108.942 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.8 m -76.04 -29.14 57.96 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.531 -0.73 . . . . 0.0 109.413 179.602 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 51.4 t -82.62 103.76 12.38 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.368 -0.833 . . . . 0.0 109.492 179.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -61.66 -29.96 70.41 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.415 -0.803 . . . . 0.0 110.442 -179.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 60.8 mttp -70.06 -40.55 75.01 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.035 -1.04 . . . . 0.0 110.583 -179.036 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 99.6 m -85.7 -30.96 22.75 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 120.99 -1.069 . . . . 0.0 110.914 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.549 ' NE2' ' OE1' ' B' ' 44' ' ' GLN . 39.6 tt0 -70.37 -48.64 55.36 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 120.969 -1.082 . . . . 0.0 110.897 -178.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.2 mt -85.39 26.24 0.94 Allowed 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.091 -1.006 . . . . 0.0 110.781 -179.239 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 40.3 tttp -81.66 -7.05 59.55 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 121.113 -0.992 . . . . 0.0 108.649 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -82.23 -163.43 32.6 Favored Glycine 0 N--CA 1.491 2.342 0 N-CA-C 108.732 -1.747 . . . . 0.0 108.732 178.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 83.3 mt-10 -73.38 140.75 46.84 Favored 'General case' 0 C--N 1.304 -1.413 0 O-C-N 121.332 -1.099 . . . . 0.0 109.85 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -178.31 75.15 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.361 -0.837 . . . . 0.0 108.945 179.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 25.9 ptt? -170.39 165.02 8.78 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 120.822 -1.173 . . . . 0.0 110.051 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.537 ' NE2' ' O ' ' A' ' 55' ' ' ASP . 52.0 t60 57.41 46.15 18.67 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.758 -0.589 . . . . 0.0 110.051 179.215 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -85.23 -75.67 1.23 Allowed Glycine 0 N--CA 1.491 2.326 0 N-CA-C 108.857 -1.697 . . . . 0.0 108.857 179.292 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 92.5 mm-40 -62.3 163.67 8.12 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.22 -1.165 . . . . 0.0 110.125 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.3 t 63.7 157.01 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.819 0 CA-C-O 121.37 0.605 . . . . 0.0 109.909 -179.555 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.537 ' O ' ' NE2' ' A' ' 51' ' ' HIS . 92.4 m-20 . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 117.898 -1.049 . . . . 0.0 108.907 179.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 44.5 m-85 . . . . . 0 N--CA 1.49 1.555 0 CA-C-O 121.554 0.693 . . . . 0.0 109.902 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 16.3 mt -70.57 -34.25 72.0 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.304 -0.872 . . . . 0.0 111.663 -178.251 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -62.33 -45.8 91.59 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 120.567 -1.333 . . . . 0.0 110.632 -178.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.68 -46.03 26.0 Favored Glycine 0 N--CA 1.493 2.441 0 N-CA-C 109.375 -1.49 . . . . 0.0 109.375 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . 0.497 ' O ' ' N ' ' B' ' 9' ' ' GLN . 81.0 mt -58.24 -39.44 73.6 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.642 0 O-C-N 121.355 -1.085 . . . . 0.0 110.055 -179.725 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 61.5 t0 -57.62 -45.63 85.13 Favored 'General case' 0 C--N 1.301 -1.502 0 C-N-CA 119.139 -1.024 . . . . 0.0 108.956 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -69.52 -43.35 73.24 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.953 -1.092 . . . . 0.0 108.981 178.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.27 -36.82 83.97 Favored 'General case' 0 N--CA 1.486 1.369 0 O-C-N 121.256 -0.903 . . . . 0.0 109.324 179.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . 0.497 ' N ' ' O ' ' B' ' 5' ' ' ILE . 58.4 tt0 -55.83 -40.22 72.51 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.424 -0.797 . . . . 0.0 109.002 -179.334 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -60.07 -40.92 91.16 Favored 'General case' 0 C--N 1.3 -1.545 0 C-N-CA 119.392 -0.923 . . . . 0.0 109.023 179.369 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -61.78 -40.01 93.69 Favored 'General case' 0 N--CA 1.489 1.498 0 C-N-CA 119.145 -1.022 . . . . 0.0 109.095 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . 0.566 ' O ' ' N ' ' B' ' 16' ' ' HIS . 14.9 t60 -61.58 -42.4 98.8 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.009 -1.057 . . . . 0.0 109.626 179.4 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -60.63 -45.22 94.89 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.054 -1.029 . . . . 0.0 110.169 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 47.4 mtmt -61.25 -31.32 71.12 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.443 -0.786 . . . . 0.0 112.87 -178.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 47.2 m-85 -139.21 -3.98 1.53 Allowed 'General case' 0 N--CA 1.505 2.301 0 O-C-N 120.607 -1.308 . . . . 0.0 112.708 -176.228 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.566 ' N ' ' O ' ' B' ' 12' ' ' HIS . 90.1 m-70 54.04 40.62 31.81 Favored 'General case' 0 N--CA 1.493 1.677 0 N-CA-C 107.749 -1.204 . . . . 0.0 107.749 -178.031 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 90.7 p -60.08 155.86 16.2 Favored 'General case' 0 C--N 1.301 -1.529 0 CA-C-O 121.652 0.739 . . . . 0.0 111.189 -178.327 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -72.35 157.95 36.71 Favored 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 179.292 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 42.6 p-90 -57.05 -30.95 64.69 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.127 -0.983 . . . . 0.0 110.455 -179.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -63.37 -41.73 98.82 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.948 -1.095 . . . . 0.0 109.934 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.9 -47.07 72.93 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.403 -0.811 . . . . 0.0 109.842 -179.491 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 77.7 mtm -61.47 -39.91 92.61 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.038 -1.039 . . . . 0.0 109.198 179.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . 0.514 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -56.69 -48.71 77.07 Favored 'General case' 0 C--N 1.3 -1.57 0 C-N-CA 119.623 -0.831 . . . . 0.0 109.186 179.815 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 19.8 t -70.22 -36.05 74.28 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.306 -0.871 . . . . 0.0 110.492 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -60.73 -39.97 90.63 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.215 -0.928 . . . . 0.0 110.464 -178.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -114.44 1.96 14.51 Favored 'General case' 0 N--CA 1.503 2.211 0 O-C-N 121.6 -0.687 . . . . 0.0 110.191 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . 0.514 ' N ' ' O ' ' B' ' 23' ' ' ALA . 67.8 m-20 56.11 50.61 13.29 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.445 -0.785 . . . . 0.0 110.228 179.782 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 70.2 mt -115.97 151.6 46.68 Favored Pre-proline 0 N--CA 1.503 2.216 0 N-CA-C 108.52 -0.919 . . . . 0.0 108.52 179.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo -61.75 150.85 84.1 Favored 'Trans proline' 0 N--CA 1.497 1.693 0 C-N-CA 121.942 1.761 . . . . 0.0 111.996 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -43.17 -40.57 9.25 Favored 'Trans proline' 0 N--CA 1.489 1.226 0 C-N-CA 122.032 1.822 . . . . 0.0 112.308 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 86.7 t -51.89 -50.64 32.61 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 121.218 -0.926 . . . . 0.0 110.418 -178.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 62.6 t -64.77 -48.95 82.4 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.737 0 C-N-CA 118.33 -1.348 . . . . 0.0 109.476 -179.086 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.22 -45.8 83.24 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 121.416 -0.802 . . . . 0.0 110.639 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 42.0 mtmt -62.49 -34.12 76.22 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.036 -1.04 . . . . 0.0 109.777 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 13.2 tm-20 -61.91 -38.48 88.54 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.166 -0.958 . . . . 0.0 110.006 -179.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 45.9 mt -60.28 -39.78 81.82 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 N-CA-C 107.619 -1.252 . . . . 0.0 107.619 179.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 80.9 t -62.98 -39.92 87.03 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 179.175 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . 0.484 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -59.5 -32.17 70.03 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 179.4 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 51.8 m -76.0 -28.94 57.99 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.48 -0.763 . . . . 0.0 109.336 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 45.0 t -83.4 104.68 13.74 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.253 -0.904 . . . . 0.0 109.397 179.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -62.2 -29.68 70.54 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.327 -0.858 . . . . 0.0 110.518 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -70.01 -40.92 74.96 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.886 -1.134 . . . . 0.0 110.559 -178.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 94.2 m -85.13 -31.85 23.08 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.776 -1.202 . . . . 0.0 110.767 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . 0.549 ' OE1' ' NE2' ' A' ' 44' ' ' GLN . 5.8 tt0 -69.75 -46.68 65.32 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 120.828 -1.17 . . . . 0.0 111.055 -178.769 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 98.4 mt -88.13 27.34 1.22 Allowed 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.045 -1.035 . . . . 0.0 110.579 -178.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 41.8 tttp -82.22 -7.42 59.62 Favored 'General case' 0 C--N 1.298 -1.641 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 179.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -82.75 -166.79 39.69 Favored Glycine 0 N--CA 1.493 2.436 0 N-CA-C 108.904 -1.678 . . . . 0.0 108.904 179.041 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 87.2 mt-10 -70.14 140.89 52.71 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.201 -1.176 . . . . 0.0 109.839 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -178.99 75.83 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.559 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 179.432 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 25.5 ptt? -171.14 164.99 7.41 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 120.966 -1.084 . . . . 0.0 110.053 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' HIS . . . . . 0.546 ' NE2' ' O ' ' B' ' 55' ' ' ASP . 55.4 t60 57.29 46.34 18.72 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.425 -0.797 . . . . 0.0 109.982 178.825 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -86.43 -74.06 1.27 Allowed Glycine 0 N--CA 1.492 2.421 0 N-CA-C 109.046 -1.622 . . . . 0.0 109.046 179.381 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 92.3 mm-40 -63.21 162.82 11.3 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.239 -1.154 . . . . 0.0 109.739 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 7.6 t 64.08 157.12 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.77 0 CA-C-O 121.564 0.697 . . . . 0.0 110.205 -179.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . 0.546 ' O ' ' NE2' ' B' ' 51' ' ' HIS . 90.7 m-20 . . . . . 0 N--CA 1.485 1.321 0 CA-C-O 118.072 -0.966 . . . . 0.0 109.34 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.423 ' CE2' ' CE2' ' B' ' 1' ' ' PHE . 60.4 m-85 . . . . . 0 N--CA 1.492 1.639 0 CA-C-O 121.472 0.653 . . . . 0.0 109.764 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 20.2 mt -70.27 -35.19 73.6 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.202 -0.937 . . . . 0.0 111.114 -178.033 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -64.04 -45.72 87.6 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.868 -1.145 . . . . 0.0 110.774 -178.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.15 -41.96 52.29 Favored Glycine 0 N--CA 1.492 2.377 0 N-CA-C 109.338 -1.505 . . . . 0.0 109.338 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.411 ' O ' ' N ' ' A' ' 9' ' ' GLN . 72.6 mt -60.42 -39.19 80.31 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.374 -1.074 . . . . 0.0 109.867 179.536 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 47.1 t0 -56.08 -48.27 76.42 Favored 'General case' 0 C--N 1.303 -1.417 0 C-N-CA 119.116 -1.034 . . . . 0.0 108.919 -179.068 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -69.12 -40.92 78.0 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.79 -1.194 . . . . 0.0 109.317 178.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.6 -40.24 88.77 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.351 -0.843 . . . . 0.0 109.856 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.411 ' N ' ' O ' ' A' ' 5' ' ' ILE . 59.0 tt0 -55.65 -40.41 72.18 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.256 -0.902 . . . . 0.0 109.637 -179.24 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -62.24 -40.18 95.28 Favored 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 119.521 -0.872 . . . . 0.0 109.239 179.327 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -61.4 -40.63 95.09 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.064 -1.022 . . . . 0.0 108.677 179.465 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.54 ' O ' ' N ' ' A' ' 16' ' ' HIS . 12.8 t60 -60.22 -46.84 88.38 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.336 -0.853 . . . . 0.0 110.091 179.614 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -60.05 -42.97 95.61 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.346 -0.846 . . . . 0.0 110.905 -179.636 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.5 mtpp -61.7 -32.38 72.58 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.329 -0.857 . . . . 0.0 112.479 -178.121 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 -139.36 -3.97 1.5 Allowed 'General case' 0 N--CA 1.506 2.362 0 O-C-N 120.727 -1.233 . . . . 0.0 112.835 -176.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.54 ' N ' ' O ' ' A' ' 12' ' ' HIS . 81.3 m-70 54.55 44.28 28.98 Favored 'General case' 0 N--CA 1.499 1.979 0 N-CA-C 107.004 -1.48 . . . . 0.0 107.004 -177.422 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 91.8 p -67.49 157.01 35.26 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.605 -0.684 . . . . 0.0 110.307 -178.477 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 36.0 m120 -73.52 158.65 34.48 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.355 -0.841 . . . . 0.0 109.055 179.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 55.3 p-90 -57.76 -30.54 65.69 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.355 -0.841 . . . . 0.0 110.302 -179.485 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 79.3 mtm180 -61.29 -39.85 91.96 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.835 -1.166 . . . . 0.0 109.554 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.08 -49.37 57.94 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.697 -0.627 . . . . 0.0 110.321 -179.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 79.3 mtm -60.6 -39.23 87.37 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.051 -1.031 . . . . 0.0 109.631 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.559 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -57.19 -47.74 80.5 Favored 'General case' 0 C--N 1.299 -1.613 0 C-N-CA 119.505 -0.878 . . . . 0.0 109.57 -179.667 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 18.3 t -68.27 -36.41 79.37 Favored 'General case' 0 C--N 1.298 -1.672 0 O-C-N 121.181 -0.949 . . . . 0.0 110.04 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -59.88 -40.03 87.29 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.279 -0.888 . . . . 0.0 110.428 -178.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -114.43 1.6 14.42 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.38 -0.825 . . . . 0.0 110.121 -179.385 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.559 ' N ' ' O ' ' A' ' 23' ' ' ALA . 85.9 m-20 56.12 45.09 24.12 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.411 -0.806 . . . . 0.0 110.168 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 61.0 mt -107.77 150.98 40.94 Favored Pre-proline 0 N--CA 1.503 2.224 0 O-C-N 121.176 -0.953 . . . . 0.0 108.473 179.39 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -61.78 149.76 88.68 Favored 'Trans proline' 0 N--CA 1.489 1.234 0 C-N-CA 121.526 1.484 . . . . 0.0 111.325 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -42.75 -38.43 6.59 Favored 'Trans proline' 0 C--N 1.313 -1.309 0 C-N-CA 122.315 2.01 . . . . 0.0 113.171 -179.374 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 59.2 t -54.09 -50.91 51.46 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.943 0 O-C-N 120.949 -1.095 . . . . 0.0 110.231 -177.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 57.7 t -64.19 -48.21 86.65 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.736 0 C-N-CA 118.739 -1.184 . . . . 0.0 109.339 -178.584 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.89 -45.28 82.58 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.46 -0.775 . . . . 0.0 109.692 179.631 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 53.4 mtpt -60.25 -37.37 80.18 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.111 -0.993 . . . . 0.0 110.491 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.6 tm-20 -60.53 -39.47 87.98 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.821 -1.174 . . . . 0.0 110.349 -179.469 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 89.6 mt -60.02 -39.54 80.57 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.493 0 O-C-N 120.65 -1.281 . . . . 0.0 107.751 178.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 92.9 t -66.05 -39.4 84.4 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.397 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 178.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.29 -38.11 76.37 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.773 -0.579 . . . . 0.0 110.661 -179.699 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 47.4 m -77.24 -22.79 51.69 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.417 -0.802 . . . . 0.0 109.597 -179.212 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 45.4 t -81.05 98.77 8.13 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.27 -0.894 . . . . 0.0 109.195 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.436 ' O ' ' O ' ' A' ' 45' ' ' LEU . 91.5 m-20 -60.83 -28.9 69.16 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.597 -0.69 . . . . 0.0 110.442 -179.764 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 60.8 mttm -68.85 -39.68 79.77 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 120.963 -1.085 . . . . 0.0 110.423 -178.229 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 57.6 m -83.45 -51.87 7.0 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 120.903 -1.123 . . . . 0.0 110.34 -179.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.554 ' NE2' ' OE1' ' B' ' 44' ' ' GLN . 13.1 tt0 -71.09 -59.78 2.59 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.926 -1.109 . . . . 0.0 110.083 -179.356 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.436 ' O ' ' O ' ' A' ' 41' ' ' ASP . 27.5 mt -84.11 101.51 11.87 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.926 -1.109 . . . . 0.0 109.104 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 46.2 tttp -87.55 -12.63 45.23 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.103 -0.998 . . . . 0.0 109.552 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.89 29.19 39.27 Favored Glycine 0 N--CA 1.496 2.68 0 C-N-CA 119.793 -1.194 . . . . 0.0 111.072 178.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -60.54 -22.34 63.52 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.949 -1.324 . . . . 0.0 109.943 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -94.33 133.49 37.83 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.054 -1.029 . . . . 0.0 109.255 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.405 ' HG2' ' H ' ' A' ' 51' ' ' HIS . 13.9 ttp -173.22 176.5 2.9 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.439 -0.788 . . . . 0.0 108.99 -179.546 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.405 ' H ' ' HG2' ' A' ' 50' ' ' MET . 64.3 t60 -48.61 -33.68 10.26 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.233 -0.917 . . . . 0.0 109.752 179.54 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 93.51 4.2 64.2 Favored Glycine 0 N--CA 1.499 2.839 0 N-CA-C 110.269 -1.133 . . . . 0.0 110.269 179.402 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 51.86 64.43 1.85 Allowed 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.05 -1.264 . . . . 0.0 109.863 179.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.6 t -95.62 152.53 3.73 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.381 0 O-C-N 120.875 -1.141 . . . . 0.0 109.634 -179.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 68.0 t0 . . . . . 0 N--CA 1.493 1.678 0 CA-C-O 118.168 -0.92 . . . . 0.0 109.614 -179.52 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . 0.423 ' CE2' ' CE2' ' A' ' 1' ' ' PHE . 58.1 m-85 . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 121.545 0.688 . . . . 0.0 109.458 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 19.2 mt -70.52 -34.99 72.92 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.341 -0.849 . . . . 0.0 110.879 -178.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -64.27 -45.5 87.79 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.821 -1.174 . . . . 0.0 110.837 -178.681 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.39 -41.49 52.1 Favored Glycine 0 N--CA 1.492 2.411 0 N-CA-C 109.289 -1.524 . . . . 0.0 109.289 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . 0.421 ' O ' ' N ' ' B' ' 9' ' ' GLN . 67.3 mt -60.12 -39.63 81.05 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.438 0 O-C-N 121.359 -1.083 . . . . 0.0 109.807 179.618 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 46.7 t0 -55.85 -49.02 74.46 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.036 -1.04 . . . . 0.0 109.017 -178.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -68.99 -40.36 78.82 Favored 'General case' 0 C--N 1.3 -1.581 0 C-N-CA 118.453 -1.299 . . . . 0.0 109.428 178.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.63 -38.12 83.45 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.097 -1.002 . . . . 0.0 109.779 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . 0.421 ' N ' ' O ' ' B' ' 5' ' ' ILE . 60.4 tt0 -56.27 -41.22 75.47 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.144 -0.973 . . . . 0.0 109.628 -179.477 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 78.9 tt0 -61.75 -41.08 97.21 Favored 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 119.618 -0.833 . . . . 0.0 108.906 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 23.6 tp10 -60.28 -39.83 88.26 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.041 -1.037 . . . . 0.0 108.557 179.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . 0.554 ' O ' ' N ' ' B' ' 16' ' ' HIS . 16.5 t60 -60.62 -47.59 85.55 Favored 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 119.917 -0.713 . . . . 0.0 109.494 179.45 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -60.24 -43.72 95.85 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.375 -0.828 . . . . 0.0 110.718 -178.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 25.3 mtpp -60.52 -32.67 71.68 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.193 -0.942 . . . . 0.0 112.736 -178.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -139.66 -3.21 1.49 Allowed 'General case' 0 N--CA 1.505 2.297 0 O-C-N 120.723 -1.235 . . . . 0.0 112.88 -176.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.554 ' N ' ' O ' ' B' ' 12' ' ' HIS . 82.2 m-70 54.17 45.46 27.36 Favored 'General case' 0 N--CA 1.498 1.932 0 N-CA-C 106.871 -1.529 . . . . 0.0 106.871 -177.435 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 96.3 p -69.49 154.12 42.49 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.544 -0.723 . . . . 0.0 110.248 -178.333 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 35.7 m120 -70.4 158.51 35.86 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.302 -0.874 . . . . 0.0 108.973 179.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 56.9 p-90 -57.29 -31.65 65.85 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.351 -0.843 . . . . 0.0 110.503 -179.334 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 80.1 mtm180 -60.51 -39.24 87.05 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.143 -0.973 . . . . 0.0 109.817 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.69 -50.3 45.15 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.229 -0.919 . . . . 0.0 109.905 -179.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 79.4 mtm -59.99 -39.46 85.8 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.127 -0.983 . . . . 0.0 109.455 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . 0.519 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -57.83 -46.37 84.82 Favored 'General case' 0 C--N 1.303 -1.421 0 C-N-CA 119.266 -0.974 . . . . 0.0 109.409 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 24.9 t -69.64 -36.34 76.02 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.224 -0.923 . . . . 0.0 110.058 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -60.01 -40.2 88.43 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.132 -0.98 . . . . 0.0 110.295 -179.033 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -113.1 0.13 14.87 Favored 'General case' 0 N--CA 1.505 2.297 0 O-C-N 121.308 -0.87 . . . . 0.0 110.448 -179.303 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . 0.519 ' N ' ' O ' ' B' ' 23' ' ' ALA . 78.0 m-20 56.86 46.65 19.36 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.42 -0.8 . . . . 0.0 110.272 179.792 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 68.4 mt -109.76 151.24 42.21 Favored Pre-proline 0 N--CA 1.496 1.852 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 179.322 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -61.12 151.09 81.11 Favored 'Trans proline' 0 C--N 1.309 -1.531 0 C-N-CA 121.439 1.426 . . . . 0.0 111.262 179.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_exo -44.26 -37.78 10.5 Favored 'Trans proline' 0 C--N 1.311 -1.405 0 C-N-CA 122.421 2.081 . . . . 0.0 112.728 -179.652 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 49.8 t -54.53 -49.83 63.21 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.781 0 O-C-N 121.156 -0.965 . . . . 0.0 110.488 -177.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 63.4 t -65.25 -47.5 87.09 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.763 0 C-N-CA 118.44 -1.304 . . . . 0.0 109.575 -178.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.41 -44.36 83.19 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.454 -0.779 . . . . 0.0 109.904 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 56.0 mtpt -61.98 -37.16 83.76 Favored 'General case' 0 C--N 1.306 -1.312 0 O-C-N 121.288 -0.883 . . . . 0.0 110.632 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 16.7 tm-20 -59.85 -39.91 86.78 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.785 -1.197 . . . . 0.0 109.767 -179.344 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 91.4 mt -59.7 -40.28 81.93 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 O-C-N 120.782 -1.199 . . . . 0.0 108.175 179.036 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 86.9 t -65.69 -38.7 82.91 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 178.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.05 -38.37 79.19 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.577 -0.702 . . . . 0.0 109.883 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 26.4 m -76.41 -23.17 54.0 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.03 -1.044 . . . . 0.0 109.53 -179.441 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 53.1 t -80.38 99.61 8.03 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.122 -0.986 . . . . 0.0 109.048 179.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . 0.454 ' O ' ' O ' ' B' ' 45' ' ' LEU . 96.9 m-20 -61.48 -30.03 70.35 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.615 -0.678 . . . . 0.0 110.095 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 62.4 mttm -68.11 -38.13 81.91 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.028 -1.045 . . . . 0.0 110.531 -178.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 54.1 m -84.17 -53.63 5.38 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.932 -1.105 . . . . 0.0 110.333 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . 0.554 ' OE1' ' NE2' ' A' ' 44' ' ' GLN . 44.2 tt0 -69.99 -60.04 2.54 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 120.847 -1.158 . . . . 0.0 109.715 -179.023 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.454 ' O ' ' O ' ' B' ' 41' ' ' ASP . 26.4 mt -83.05 102.66 11.93 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.16 -0.963 . . . . 0.0 109.469 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 45.1 tttp -88.38 -13.0 41.67 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.214 -0.929 . . . . 0.0 108.994 179.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.05 33.1 33.86 Favored Glycine 0 N--CA 1.493 2.456 0 C-N-CA 119.84 -1.171 . . . . 0.0 110.369 179.158 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -64.0 -20.66 66.06 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.975 -1.309 . . . . 0.0 109.649 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -95.39 134.46 38.18 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.145 -0.972 . . . . 0.0 109.018 179.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' MET . . . . . 0.421 ' HG2' ' H ' ' B' ' 51' ' ' HIS . 15.1 ttp -172.99 177.41 2.78 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.313 -0.867 . . . . 0.0 109.363 -179.742 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' HIS . . . . . 0.421 ' H ' ' HG2' ' B' ' 50' ' ' MET . 70.2 t60 -49.64 -33.2 14.84 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.255 -0.903 . . . . 0.0 109.759 179.756 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 94.79 1.06 63.75 Favored Glycine 0 N--CA 1.499 2.899 0 N-CA-C 110.205 -1.158 . . . . 0.0 110.205 179.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 52.92 65.67 1.45 Allowed 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.331 -1.1 . . . . 0.0 109.015 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 2.4 t -95.4 152.84 3.64 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.993 0 O-C-N 121.154 -0.966 . . . . 0.0 109.747 -179.019 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 64.1 t0 . . . . . 0 N--CA 1.492 1.657 0 CA-C-O 118.016 -0.992 . . . . 0.0 109.766 -179.185 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 . . . . . 0 N--CA 1.49 1.544 0 CA-C-O 121.567 0.699 . . . . 0.0 109.54 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 23.1 mt -75.91 -41.83 50.72 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.501 -0.749 . . . . 0.0 110.994 -178.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 58.9 t0 -65.36 -50.01 67.19 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.878 -1.139 . . . . 0.0 110.459 -178.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.78 -48.95 66.43 Favored Glycine 0 N--CA 1.494 2.563 0 N-CA-C 109.975 -1.25 . . . . 0.0 109.975 -179.32 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.462 ' O ' ' N ' ' A' ' 9' ' ' GLN . 77.6 mt -58.9 -39.67 78.29 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.13 -1.218 . . . . 0.0 110.361 -179.588 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -54.16 -46.17 72.22 Favored 'General case' 0 C--N 1.296 -1.737 0 O-C-N 120.491 -1.38 . . . . 0.0 108.946 -179.214 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -70.08 -42.75 72.37 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.911 -1.118 . . . . 0.0 109.583 178.271 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.39 -38.28 84.45 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.284 -0.885 . . . . 0.0 109.292 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.462 ' N ' ' O ' ' A' ' 5' ' ' ILE . 60.1 tt0 -57.44 -40.64 78.86 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.613 -0.679 . . . . 0.0 109.41 -179.671 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -61.13 -40.48 93.96 Favored 'General case' 0 C--N 1.301 -1.502 0 C-N-CA 118.992 -1.083 . . . . 0.0 108.836 179.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 15.2 tm-20 -62.44 -40.7 97.41 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.046 -1.034 . . . . 0.0 109.331 179.145 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.556 ' O ' ' N ' ' A' ' 16' ' ' HIS . 13.2 t60 -59.96 -44.16 94.59 Favored 'General case' 0 C--N 1.304 -1.401 0 C-N-CA 119.225 -0.99 . . . . 0.0 109.029 179.723 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -60.68 -45.64 93.41 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.839 -1.163 . . . . 0.0 110.934 -179.526 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 54.5 mtmt -60.47 -32.21 71.19 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.09 -1.006 . . . . 0.0 112.595 -178.314 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 45.3 m-85 -137.87 -4.98 1.73 Allowed 'General case' 0 N--CA 1.509 2.475 0 O-C-N 120.65 -1.281 . . . . 0.0 113.043 -177.04 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.556 ' N ' ' O ' ' A' ' 12' ' ' HIS . 92.7 m-70 54.71 42.72 31.01 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 120.503 -1.373 . . . . 0.0 107.511 -177.788 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 78.6 p -63.89 158.01 23.27 Favored 'General case' 0 C--N 1.297 -1.689 0 CA-C-O 121.504 0.669 . . . . 0.0 110.73 -178.232 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 -74.31 159.03 32.97 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.594 -0.691 . . . . 0.0 109.261 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 38.6 p-90 -57.71 -29.79 64.99 Favored 'General case' 0 C--N 1.303 -1.432 0 C-N-CA 119.33 -0.948 . . . . 0.0 109.909 -179.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 80.4 mtm180 -63.87 -40.29 96.2 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 120.898 -1.126 . . . . 0.0 110.364 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.83 -47.81 61.34 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.125 -0.984 . . . . 0.0 108.984 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 78.2 mtm -61.05 -40.23 92.86 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.316 -0.865 . . . . 0.0 109.447 179.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.5 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -59.63 -45.87 90.67 Favored 'General case' 0 N--CA 1.492 1.626 0 C-N-CA 119.513 -0.875 . . . . 0.0 109.174 179.569 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 43.6 t -70.76 -37.16 73.38 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.506 -0.746 . . . . 0.0 110.249 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -60.24 -39.31 86.24 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.258 -0.901 . . . . 0.0 109.962 -178.397 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -111.51 -2.52 15.47 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.566 -0.709 . . . . 0.0 110.045 -179.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.5 ' N ' ' O ' ' A' ' 23' ' ' ALA . 11.1 t-20 59.74 47.09 10.79 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.639 -0.663 . . . . 0.0 109.562 179.82 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 53.0 mt -113.62 152.15 45.18 Favored Pre-proline 0 N--CA 1.502 2.157 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 179.353 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -60.13 149.39 85.16 Favored 'Trans proline' 0 C--N 1.312 -1.345 0 C-N-CA 121.65 1.566 . . . . 0.0 111.509 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -41.19 -37.7 2.99 Favored 'Trans proline' 0 C--N 1.31 -1.455 0 C-N-CA 121.922 1.748 . . . . 0.0 111.854 178.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 98.4 t -50.49 -51.83 17.66 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.766 0 O-C-N 121.264 -0.897 . . . . 0.0 110.747 -177.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 58.1 t -66.32 -48.54 80.66 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.937 0 C-N-CA 118.545 -1.262 . . . . 0.0 109.327 -178.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.54 -46.69 84.8 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.281 -0.887 . . . . 0.0 110.491 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 43.7 mtmt -60.52 -37.44 81.18 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 120.895 -1.128 . . . . 0.0 110.199 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.2 tm-20 -60.81 -39.97 90.95 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.012 -1.055 . . . . 0.0 110.107 -178.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 50.0 mt -59.72 -39.74 80.54 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 O-C-N 120.789 -1.194 . . . . 0.0 108.702 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 59.8 t -63.68 -39.66 86.17 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.029 -1.045 . . . . 0.0 108.506 179.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.414 ' O ' ' OE1' ' A' ' 44' ' ' GLN . . . -60.65 -31.18 70.4 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.521 -0.737 . . . . 0.0 109.344 179.015 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 68.5 m -77.09 -28.19 54.43 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.277 -0.89 . . . . 0.0 109.864 -179.213 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 43.0 t -82.25 103.11 11.6 Favored 'General case' 0 N--CA 1.486 1.365 0 O-C-N 121.273 -0.892 . . . . 0.0 109.899 -179.629 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -60.57 -29.96 69.51 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.458 -0.776 . . . . 0.0 110.023 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 64.1 mttp -69.97 -39.53 75.9 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.939 -1.101 . . . . 0.0 110.703 -178.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 62.1 m -84.99 -30.1 24.47 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.705 -1.247 . . . . 0.0 109.639 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.549 ' NE2' ' OE1' ' B' ' 44' ' ' GLN . 55.5 tt0 -78.9 -69.73 0.55 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.062 -1.024 . . . . 0.0 110.212 -179.239 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 40.0 mt -80.09 99.99 7.99 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.056 -1.028 . . . . 0.0 109.522 -179.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -90.64 -8.23 50.58 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.218 -0.926 . . . . 0.0 108.828 179.38 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.84 35.79 11.04 Favored Glycine 0 N--CA 1.493 2.456 0 N-CA-C 109.854 -1.298 . . . . 0.0 109.854 179.443 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -74.8 -10.32 59.39 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.125 -1.221 . . . . 0.0 110.072 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -92.05 4.09 53.84 Favored 'General case' 0 N--CA 1.501 2.114 0 O-C-N 121.072 -1.018 . . . . 0.0 109.484 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 23.7 ptm -64.4 160.76 18.4 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.199 -0.938 . . . . 0.0 109.524 -179.599 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 42.1 p-80 -65.06 157.43 28.48 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.457 -0.777 . . . . 0.0 109.91 -179.136 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -97.37 -85.24 1.78 Allowed Glycine 0 N--CA 1.492 2.383 0 N-CA-C 108.739 -1.745 . . . . 0.0 108.739 179.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.416 ' O ' ' O ' ' A' ' 54' ' ' VAL . 86.3 mt-30 -122.73 79.42 1.63 Allowed 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.817 -0.814 . . . . 0.0 108.854 179.499 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.416 ' O ' ' O ' ' A' ' 53' ' ' GLN . 8.0 t 55.68 168.39 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 O-C-N 121.12 -0.987 . . . . 0.0 109.627 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 62.4 t0 . . . . . 0 N--CA 1.495 1.799 0 CA-C-O 117.955 -1.021 . . . . 0.0 109.34 179.92 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 . . . . . 0 N--CA 1.488 1.455 0 CA-C-O 121.511 0.672 . . . . 0.0 109.55 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 23.5 mt -76.45 -42.83 42.51 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.58 -0.7 . . . . 0.0 110.649 -179.016 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 57.2 t0 -63.27 -52.05 63.64 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.067 -1.021 . . . . 0.0 110.518 -178.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.61 -49.53 72.59 Favored Glycine 0 N--CA 1.495 2.592 0 N-CA-C 110.205 -1.158 . . . . 0.0 110.205 -179.245 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . 0.466 ' O ' ' N ' ' B' ' 9' ' ' GLN . 79.1 mt -58.87 -38.74 74.8 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.279 -1.13 . . . . 0.0 110.337 -179.579 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -54.68 -45.7 73.96 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 120.669 -1.269 . . . . 0.0 108.759 -179.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -70.36 -42.53 71.68 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.043 -1.036 . . . . 0.0 109.658 178.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.06 -38.89 82.95 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.312 -0.868 . . . . 0.0 109.563 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . 0.466 ' N ' ' O ' ' B' ' 5' ' ' ILE . 59.2 tt0 -57.41 -40.44 78.3 Favored 'General case' 0 C--N 1.298 -1.649 0 O-C-N 121.268 -0.895 . . . . 0.0 109.131 -179.749 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -61.14 -41.31 96.5 Favored 'General case' 0 C--N 1.302 -1.496 0 C-N-CA 119.093 -1.043 . . . . 0.0 108.605 179.126 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 15.2 tm-20 -61.73 -40.69 95.96 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.217 -0.927 . . . . 0.0 109.211 179.26 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . 0.55 ' O ' ' N ' ' B' ' 16' ' ' HIS . 12.7 t60 -59.87 -43.46 94.71 Favored 'General case' 0 C--N 1.302 -1.492 0 C-N-CA 119.099 -1.04 . . . . 0.0 109.123 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -61.08 -45.75 93.45 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.093 -1.004 . . . . 0.0 111.068 -179.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 54.8 mtmt -60.74 -31.04 70.37 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.23 -0.919 . . . . 0.0 113.004 -178.319 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 48.1 m-85 -139.15 -5.05 1.47 Allowed 'General case' 0 N--CA 1.507 2.404 0 O-C-N 120.614 -1.304 . . . . 0.0 112.7 -176.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.55 ' N ' ' O ' ' B' ' 12' ' ' HIS . 91.8 m-70 54.35 42.05 31.64 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 120.629 -1.294 . . . . 0.0 107.9 -178.018 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 82.4 p -62.61 159.0 16.87 Favored 'General case' 0 C--N 1.297 -1.676 0 CA-C-O 121.573 0.702 . . . . 0.0 110.64 -178.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -75.31 159.39 31.53 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.493 -0.754 . . . . 0.0 109.61 179.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 32.5 p-90 -57.85 -30.06 65.48 Favored 'General case' 0 C--N 1.305 -1.365 0 C-N-CA 119.503 -0.879 . . . . 0.0 110.065 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 79.2 mtm180 -63.34 -40.66 97.91 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.12 -0.988 . . . . 0.0 110.053 179.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.69 -48.01 61.16 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.346 -0.846 . . . . 0.0 109.158 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 77.3 mtm -60.34 -40.73 91.75 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.431 -0.793 . . . . 0.0 109.221 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . 0.517 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -58.95 -46.43 88.05 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.393 -0.817 . . . . 0.0 109.303 179.407 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 47.8 t -70.32 -37.65 74.76 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.54 -0.725 . . . . 0.0 110.261 179.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -59.89 -39.16 84.4 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.372 -0.83 . . . . 0.0 110.109 -178.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -112.24 -2.36 14.91 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.555 -0.715 . . . . 0.0 109.795 -179.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . 0.517 ' N ' ' O ' ' B' ' 23' ' ' ALA . 11.6 t-20 59.36 48.84 9.55 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.52 -0.738 . . . . 0.0 109.466 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 53.8 mt -115.03 152.48 46.62 Favored Pre-proline 0 N--CA 1.501 2.113 0 N-CA-C 108.412 -0.959 . . . . 0.0 108.412 179.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -60.35 150.18 81.87 Favored 'Trans proline' 0 C--N 1.313 -1.303 0 C-N-CA 121.518 1.479 . . . . 0.0 111.722 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -41.87 -37.79 4.37 Favored 'Trans proline' 0 C--N 1.308 -1.575 0 C-N-CA 121.885 1.723 . . . . 0.0 111.584 178.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 73.8 t -50.72 -51.97 18.15 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.622 0 O-C-N 121.19 -0.944 . . . . 0.0 110.916 -177.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 84.0 t -66.54 -48.19 81.23 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.015 0 C-N-CA 118.561 -1.256 . . . . 0.0 109.235 -179.338 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.61 -46.87 83.79 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.315 -0.866 . . . . 0.0 110.385 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 43.5 mtmt -60.94 -36.48 79.44 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.868 -1.145 . . . . 0.0 110.296 -179.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -60.78 -39.85 90.37 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 119.212 -0.995 . . . . 0.0 110.164 -178.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 50.9 mt -59.82 -40.1 81.73 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 O-C-N 120.871 -1.143 . . . . 0.0 108.76 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 58.2 t -63.24 -40.17 88.04 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.451 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 179.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . 0.548 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -60.73 -31.27 70.58 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.402 -0.811 . . . . 0.0 109.501 179.147 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 66.7 m -77.06 -28.18 54.59 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.238 -0.914 . . . . 0.0 109.63 -179.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 48.2 t -82.05 102.01 10.73 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.31 -0.869 . . . . 0.0 110.068 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -60.12 -29.94 68.95 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.424 -0.798 . . . . 0.0 110.212 179.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -69.63 -38.46 77.22 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 120.868 -1.145 . . . . 0.0 110.847 -178.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 60.0 m -85.93 -31.21 22.26 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.922 -1.111 . . . . 0.0 109.863 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . 0.549 ' OE1' ' NE2' ' A' ' 44' ' ' GLN . 6.7 tt0 -77.87 -69.14 0.56 Allowed 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.181 -0.95 . . . . 0.0 110.085 -178.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 34.9 mt -80.82 101.0 9.1 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.078 -1.014 . . . . 0.0 109.452 -179.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -91.57 -7.5 50.05 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.24 -0.912 . . . . 0.0 108.599 179.358 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.68 36.6 10.29 Favored Glycine 0 N--CA 1.494 2.519 0 N-CA-C 109.913 -1.275 . . . . 0.0 109.913 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -75.38 -11.02 59.96 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.283 -1.127 . . . . 0.0 110.114 -179.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -91.87 5.64 49.2 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.045 -1.034 . . . . 0.0 109.567 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 22.9 ptm -65.76 162.2 19.21 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.045 -1.035 . . . . 0.0 109.546 -179.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 38.0 p-80 -65.59 155.82 34.63 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.438 -0.789 . . . . 0.0 109.893 -179.068 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -94.64 -86.46 1.68 Allowed Glycine 0 N--CA 1.493 2.467 0 N-CA-C 108.621 -1.791 . . . . 0.0 108.621 179.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . 0.405 ' O ' ' O ' ' B' ' 54' ' ' VAL . 83.3 mt-30 -122.44 79.06 1.57 Allowed 'General case' 0 N--CA 1.492 1.653 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 179.347 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.405 ' O ' ' O ' ' B' ' 53' ' ' GLN . 5.0 t 56.68 167.21 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.353 -0.842 . . . . 0.0 109.668 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 60.6 t0 . . . . . 0 N--CA 1.496 1.844 0 CA-C-O 118.016 -0.992 . . . . 0.0 109.519 -179.804 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.458 ' CE2' ' CE2' ' B' ' 1' ' ' PHE . 76.4 m-85 . . . . . 0 N--CA 1.49 1.538 0 CA-C-O 121.368 0.604 . . . . 0.0 110.214 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 14.1 mt -71.39 -35.56 71.09 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.275 -0.891 . . . . 0.0 111.245 -178.274 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 -62.77 -52.46 63.12 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.722 -1.236 . . . . 0.0 110.685 -178.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.04 -44.98 93.55 Favored Glycine 0 N--CA 1.49 2.264 0 N-CA-C 109.9 -1.28 . . . . 0.0 109.9 -179.511 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.486 ' O ' ' N ' ' A' ' 9' ' ' GLN . 87.2 mt -60.01 -39.55 80.6 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.471 0 O-C-N 121.267 -1.137 . . . . 0.0 110.945 -179.303 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -55.05 -45.71 75.3 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.035 -1.04 . . . . 0.0 108.942 -179.101 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 36.1 mtmm -69.6 -43.93 71.76 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 120.976 -1.078 . . . . 0.0 109.478 178.597 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.96 -34.2 77.57 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.321 -0.862 . . . . 0.0 109.57 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.486 ' N ' ' O ' ' A' ' 5' ' ' ILE . 56.1 tt0 -57.75 -42.25 83.56 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.061 -1.024 . . . . 0.0 108.902 -179.658 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -61.91 -40.75 96.56 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.386 -0.821 . . . . 0.0 109.046 179.421 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.2 tm-20 -61.16 -40.52 94.17 Favored 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 179.303 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.538 ' O ' ' N ' ' A' ' 16' ' ' HIS . 13.3 t60 -62.59 -46.54 87.85 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 120.019 -0.672 . . . . 0.0 110.192 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 78.5 tt0 -60.68 -42.62 97.47 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.237 -0.915 . . . . 0.0 110.616 -179.404 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -63.1 -30.62 71.74 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.33 -0.856 . . . . 0.0 112.621 -178.281 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -140.34 -4.67 1.28 Allowed 'General case' 0 N--CA 1.507 2.41 0 O-C-N 120.759 -1.213 . . . . 0.0 112.969 -176.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.538 ' N ' ' O ' ' A' ' 12' ' ' HIS . 90.7 m-70 54.52 45.19 27.5 Favored 'General case' 0 N--CA 1.495 1.809 0 N-CA-C 107.154 -1.424 . . . . 0.0 107.154 -177.514 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 95.1 p -65.86 156.16 34.18 Favored 'General case' 0 C--N 1.305 -1.336 0 CA-C-O 121.36 0.6 . . . . 0.0 110.363 -178.581 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -73.07 159.29 33.83 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.416 -0.803 . . . . 0.0 108.918 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 42.2 p-90 -56.9 -29.43 63.02 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.303 -0.873 . . . . 0.0 110.225 -179.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 72.3 mtm180 -62.61 -40.6 97.47 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.621 -1.299 . . . . 0.0 109.823 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.16 -50.42 61.24 Favored 'General case' 0 C--N 1.3 -1.552 0 C-N-CA 119.694 -0.802 . . . . 0.0 109.59 -179.052 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 78.0 mtm -61.16 -40.66 94.69 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 121.33 -0.857 . . . . 0.0 109.35 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.483 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -58.02 -49.77 75.72 Favored 'General case' 0 C--N 1.303 -1.43 0 C-N-CA 119.521 -0.871 . . . . 0.0 109.231 179.739 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 42.7 t -70.41 -36.43 74.03 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.672 -0.642 . . . . 0.0 110.382 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -59.87 -40.42 88.6 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.261 -0.899 . . . . 0.0 110.524 -178.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -112.17 0.27 15.79 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 121.388 -0.82 . . . . 0.0 109.905 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.483 ' N ' ' O ' ' A' ' 23' ' ' ALA . 42.2 t30 60.01 46.28 11.09 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.233 -0.917 . . . . 0.0 109.937 179.619 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 51.0 mt -110.32 151.69 42.79 Favored Pre-proline 0 N--CA 1.5 2.065 0 N-CA-C 108.204 -1.036 . . . . 0.0 108.204 179.446 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 21.5 Cg_endo -60.9 162.29 19.38 Favored 'Trans proline' 0 N--CA 1.492 1.421 0 C-N-CA 121.776 1.65 . . . . 0.0 111.269 179.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_endo -56.42 -34.85 95.56 Favored 'Trans proline' 0 C--N 1.302 -1.901 0 C-N-CA 122.267 1.978 . . . . 0.0 111.974 -179.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 79.7 t -56.21 -49.44 76.2 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.618 0 O-C-N 120.839 -1.163 . . . . 0.0 109.649 -179.158 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 66.2 t -64.96 -49.3 80.38 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.781 0 C-N-CA 118.712 -1.195 . . . . 0.0 109.464 -179.085 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.16 -46.28 81.52 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.548 -0.72 . . . . 0.0 110.361 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.468 ' NZ ' ' CB ' ' A' ' 34' ' ' LYS . 8.4 mtmp? -61.29 -34.87 75.92 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 120.607 -1.308 . . . . 0.0 109.829 179.47 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.436 ' OE2' ' NZ ' ' B' ' 34' ' ' LYS . 16.0 tm-20 -61.04 -39.96 91.78 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.918 -1.114 . . . . 0.0 110.362 -179.25 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 69.8 mt -60.38 -39.44 80.99 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 O-C-N 120.922 -1.111 . . . . 0.0 108.092 179.437 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 94.6 t -65.6 -39.03 83.77 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.421 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 178.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.408 ' O ' ' OE1' ' A' ' 44' ' ' GLN . . . -61.24 -30.7 70.61 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.684 -0.635 . . . . 0.0 109.691 179.721 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.9 m -80.2 -26.18 39.32 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.806 -1.184 . . . . 0.0 109.638 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 40.8 t -81.35 102.44 10.45 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.211 -0.93 . . . . 0.0 109.483 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -60.06 -29.62 68.66 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.563 -0.711 . . . . 0.0 110.37 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -69.87 -39.9 76.03 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.791 -1.193 . . . . 0.0 110.384 -178.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 69.2 m -84.64 -23.65 29.42 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.03 -1.044 . . . . 0.0 109.343 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.408 ' OE1' ' O ' ' A' ' 38' ' ' ALA . 36.2 tt0 -78.51 -70.34 0.5 Allowed 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.936 -1.103 . . . . 0.0 109.019 179.278 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 81.8 mt -81.72 108.81 15.57 Favored 'General case' 0 N--CA 1.491 1.609 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 179.346 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 23.5 ttpp -89.16 2.72 53.77 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.193 -0.942 . . . . 0.0 108.962 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 108.78 1.4 32.26 Favored Glycine 0 N--CA 1.497 2.714 0 N-CA-C 109.634 -1.386 . . . . 0.0 109.634 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 75.5 mt-10 -71.22 -149.94 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.259 -1.142 . . . . 0.0 108.541 179.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 56.0 26.43 9.95 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 120.8 -1.187 . . . . 0.0 109.926 179.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 23.3 ptt? -69.85 144.05 52.67 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.048 -1.033 . . . . 0.0 108.807 179.213 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 51.3 t-80 -59.03 -37.95 78.17 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.057 -1.027 . . . . 0.0 109.554 -179.179 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 161.85 177.54 35.0 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.208 -1.557 . . . . 0.0 109.208 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.508 ' O ' ' O ' ' A' ' 54' ' ' VAL . 53.6 tp60 -98.89 35.23 1.91 Allowed 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.299 -1.118 . . . . 0.0 109.018 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.508 ' O ' ' O ' ' A' ' 53' ' ' GLN . 30.0 m 48.81 115.12 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.5 2.05 0 CA-C-O 122.651 1.215 . . . . 0.0 110.805 -179.49 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 45.9 p-10 . . . . . 0 N--CA 1.493 1.704 0 O-C-N 120.661 -1.274 . . . . 0.0 109.582 -179.133 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . 0.458 ' CE2' ' CE2' ' A' ' 1' ' ' PHE . 74.8 m-85 . . . . . 0 N--CA 1.49 1.568 0 CA-C-O 121.235 0.541 . . . . 0.0 110.162 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 14.2 mt -71.6 -35.9 70.66 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.229 -0.92 . . . . 0.0 111.351 -178.272 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -62.71 -50.82 69.62 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 120.649 -1.282 . . . . 0.0 110.775 -178.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.89 -45.48 87.9 Favored Glycine 0 N--CA 1.487 2.079 0 N-CA-C 109.99 -1.244 . . . . 0.0 109.99 -179.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . 0.418 ' O ' ' N ' ' B' ' 9' ' ' GLN . 86.3 mt -60.02 -39.64 80.88 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.472 0 O-C-N 121.339 -1.095 . . . . 0.0 111.025 -179.101 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -55.28 -45.43 76.19 Favored 'General case' 0 C--N 1.304 -1.404 0 C-N-CA 119.015 -1.074 . . . . 0.0 108.963 -178.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 36.5 mtmm -69.68 -44.02 71.33 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.062 -1.024 . . . . 0.0 109.029 178.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.63 -34.7 78.83 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.284 -0.885 . . . . 0.0 109.674 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' B' ' 5' ' ' ILE . 57.7 tt0 -57.83 -41.72 82.86 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.021 -1.049 . . . . 0.0 109.089 -179.483 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -62.21 -40.64 96.77 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.146 -0.971 . . . . 0.0 109.08 179.088 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 14.6 tm-20 -61.06 -40.59 94.24 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.171 -0.956 . . . . 0.0 108.676 179.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . 0.523 ' O ' ' N ' ' B' ' 16' ' ' HIS . 13.4 t60 -62.45 -46.44 88.52 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 119.79 -0.764 . . . . 0.0 110.323 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 -60.45 -42.34 95.94 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.2 -0.937 . . . . 0.0 110.548 -179.583 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -63.75 -30.34 71.45 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.054 -1.028 . . . . 0.0 112.644 -178.235 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -140.36 -4.68 1.28 Allowed 'General case' 0 N--CA 1.507 2.387 0 O-C-N 120.693 -1.255 . . . . 0.0 112.958 -176.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.523 ' N ' ' O ' ' B' ' 12' ' ' HIS . 90.4 m-70 54.47 44.58 28.6 Favored 'General case' 0 N--CA 1.498 1.96 0 N-CA-C 107.115 -1.439 . . . . 0.0 107.115 -177.693 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 99.2 p -65.45 156.1 33.46 Favored 'General case' 0 C--N 1.302 -1.497 0 CA-C-O 121.574 0.702 . . . . 0.0 110.48 -178.41 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -72.79 158.69 35.08 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.093 -1.004 . . . . 0.0 109.445 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 38.7 p-90 -56.91 -29.26 62.89 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.043 -1.036 . . . . 0.0 110.526 -179.47 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 72.3 mtm180 -62.35 -40.63 97.02 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.675 -1.266 . . . . 0.0 109.864 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.34 -50.36 60.26 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.277 -0.889 . . . . 0.0 109.571 -179.27 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 77.8 mtm -61.13 -39.79 91.37 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 121.206 -0.934 . . . . 0.0 109.397 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . 0.489 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -58.63 -49.2 78.37 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.302 -0.874 . . . . 0.0 109.01 179.773 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 38.3 t -70.6 -37.41 73.88 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.621 -0.675 . . . . 0.0 110.267 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 54.1 t0 -59.12 -40.46 85.49 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.244 -0.91 . . . . 0.0 110.49 -178.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -112.26 0.68 15.83 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.483 -0.761 . . . . 0.0 109.8 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . 0.489 ' N ' ' O ' ' B' ' 23' ' ' ALA . 42.3 t30 59.68 44.51 14.19 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.194 -0.941 . . . . 0.0 110.203 179.474 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 48.3 mt -108.89 151.04 41.63 Favored Pre-proline 0 N--CA 1.499 1.976 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 179.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -60.81 162.6 18.2 Favored 'Trans proline' 0 C--N 1.312 -1.356 0 C-N-CA 121.496 1.464 . . . . 0.0 111.12 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . 0.418 ' O ' ' N ' ' B' ' 34' ' ' LYS . 13.5 Cg_endo -56.62 -33.96 94.5 Favored 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 122.49 2.127 . . . . 0.0 112.24 -179.6 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 82.9 t -56.9 -49.24 79.67 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.693 0 O-C-N 120.776 -1.202 . . . . 0.0 109.624 -179.299 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 66.2 t -65.39 -49.09 80.49 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.845 0 C-N-CA 118.673 -1.211 . . . . 0.0 109.236 -178.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.49 -46.23 80.56 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.586 -0.696 . . . . 0.0 110.204 -179.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.459 ' CB ' ' NZ ' ' B' ' 34' ' ' LYS . 8.3 mtmp? -61.24 -35.42 77.2 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.645 -1.284 . . . . 0.0 109.852 179.31 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 16.3 tm-20 -60.87 -39.92 90.98 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 120.98 -1.075 . . . . 0.0 110.246 -179.146 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 73.6 mt -60.2 -40.04 82.41 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 120.737 -1.227 . . . . 0.0 107.982 179.594 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 89.7 t -64.55 -40.07 87.77 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.566 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 178.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . 0.586 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -60.09 -31.79 70.35 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.296 -0.878 . . . . 0.0 109.765 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 49.8 m -79.42 -26.43 41.87 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 120.855 -1.153 . . . . 0.0 109.483 -179.391 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 42.5 t -81.41 102.18 10.33 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.245 -0.909 . . . . 0.0 109.41 -179.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -60.54 -28.92 68.79 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.511 -0.743 . . . . 0.0 110.597 -179.545 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 61.5 mttp -69.94 -39.85 75.84 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.898 -1.126 . . . . 0.0 110.058 -179.368 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 69.3 m -84.7 -24.26 29.0 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.176 -0.952 . . . . 0.0 109.326 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . 0.586 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 17.3 tt0 -77.56 -70.05 0.5 Allowed 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.044 -1.035 . . . . 0.0 108.907 179.32 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 78.3 mt -81.52 108.51 15.17 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.251 -0.906 . . . . 0.0 108.849 179.438 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 23.4 ttpp -89.51 2.84 54.04 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.089 -1.007 . . . . 0.0 108.803 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 109.1 0.34 31.55 Favored Glycine 0 N--CA 1.499 2.883 0 N-CA-C 109.74 -1.344 . . . . 0.0 109.74 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 77.1 mt-10 -70.79 -150.04 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.139 -1.212 . . . . 0.0 108.709 179.221 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . 55.57 27.03 9.8 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.045 -1.034 . . . . 0.0 109.828 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 23.2 ptt? -70.4 145.12 51.29 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.055 -1.028 . . . . 0.0 108.63 179.209 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 50.5 t-80 -59.68 -38.23 80.94 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.073 -1.017 . . . . 0.0 109.659 -179.496 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 162.29 178.51 36.23 Favored Glycine 0 N--CA 1.492 2.379 0 N-CA-C 109.48 -1.448 . . . . 0.0 109.48 179.526 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . 0.514 ' O ' ' O ' ' B' ' 54' ' ' VAL . 53.7 tp60 -98.94 35.22 1.92 Allowed 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.4 -1.059 . . . . 0.0 109.039 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.514 ' O ' ' O ' ' B' ' 53' ' ' GLN . 35.7 m 49.2 115.17 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.502 2.133 0 CA-C-O 122.447 1.118 . . . . 0.0 110.819 -179.451 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 45.6 p-10 . . . . . 0 N--CA 1.492 1.629 0 O-C-N 120.798 -1.189 . . . . 0.0 109.582 -179.342 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 37.4 m-85 . . . . . 0 N--CA 1.489 1.506 0 CA-C-O 121.428 0.632 . . . . 0.0 109.981 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 55.9 mt -71.54 -31.09 66.64 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.324 -0.86 . . . . 0.0 112.084 -178.275 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -62.63 -51.85 65.64 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.641 -1.287 . . . . 0.0 110.693 -178.143 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.15 -42.19 77.28 Favored Glycine 0 N--CA 1.491 2.322 0 N-CA-C 109.936 -1.266 . . . . 0.0 109.936 -179.484 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.463 ' O ' ' N ' ' A' ' 9' ' ' GLN . 91.9 mt -59.92 -40.45 82.91 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.547 0 O-C-N 121.412 -1.052 . . . . 0.0 110.105 -179.855 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -55.45 -47.01 76.73 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 120.897 -1.127 . . . . 0.0 108.855 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 17.4 ttmm -68.43 -44.45 74.95 Favored 'General case' 0 C--N 1.3 -1.56 0 C-N-CA 119.59 -0.844 . . . . 0.0 109.314 179.029 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.19 -36.34 83.74 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.476 -0.765 . . . . 0.0 109.039 179.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.463 ' N ' ' O ' ' A' ' 5' ' ' ILE . 55.4 tt0 -58.84 -40.28 83.76 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.337 -0.852 . . . . 0.0 109.309 -179.401 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -60.67 -39.94 90.24 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.067 -1.021 . . . . 0.0 108.391 178.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.7 tm-20 -60.48 -41.26 93.85 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.334 -0.854 . . . . 0.0 108.875 178.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.537 ' O ' ' N ' ' A' ' 16' ' ' HIS . 17.6 t60 -61.77 -44.77 96.23 Favored 'General case' 0 C--N 1.304 -1.412 0 C-N-CA 119.289 -0.964 . . . . 0.0 109.88 179.76 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.1 tp10 -60.53 -45.28 94.41 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.06 -1.025 . . . . 0.0 110.34 -179.19 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 52.6 mtmt -60.98 -32.2 71.77 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.48 -0.762 . . . . 0.0 112.973 -178.157 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 52.0 m-85 -137.69 -6.02 1.73 Allowed 'General case' 0 N--CA 1.506 2.33 0 O-C-N 120.765 -1.209 . . . . 0.0 112.812 -176.609 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.537 ' N ' ' O ' ' A' ' 12' ' ' HIS . 91.8 m-70 53.97 46.43 25.58 Favored 'General case' 0 N--CA 1.495 1.784 0 N-CA-C 107.33 -1.359 . . . . 0.0 107.33 -177.58 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 87.7 p -69.06 159.68 32.43 Favored 'General case' 0 N--CA 1.486 1.355 0 CA-C-O 121.534 0.683 . . . . 0.0 110.616 -178.253 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -74.16 157.59 35.68 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 179.525 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 50.2 p-90 -59.25 -31.22 68.89 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.047 -1.033 . . . . 0.0 109.841 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 83.6 mtm180 -61.47 -40.67 95.36 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.936 -1.103 . . . . 0.0 108.691 179.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.89 -49.75 55.52 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.354 -0.841 . . . . 0.0 109.038 179.432 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 76.2 mtm -61.48 -41.81 97.83 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.141 -0.975 . . . . 0.0 109.635 179.672 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.525 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -59.92 -43.54 94.86 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.205 -0.935 . . . . 0.0 109.022 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 8.6 t -71.7 -34.78 69.9 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.626 -0.671 . . . . 0.0 109.949 179.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -61.77 -42.61 99.21 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.39 -0.819 . . . . 0.0 109.642 -179.41 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -108.2 0.15 21.3 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.64 -0.663 . . . . 0.0 110.227 -179.492 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.525 ' N ' ' O ' ' A' ' 23' ' ' ALA . 75.5 m-20 53.65 48.31 21.86 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.382 -0.824 . . . . 0.0 109.565 179.702 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 83.5 mt -112.34 149.29 40.79 Favored Pre-proline 0 N--CA 1.499 2.006 0 O-C-N 121.172 -0.955 . . . . 0.0 108.981 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_exo -44.66 145.3 2.81 Favored 'Trans proline' 0 N--CA 1.49 1.268 0 C-N-CA 121.785 1.657 . . . . 0.0 111.252 178.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -46.61 -39.19 22.9 Favored 'Trans proline' 0 C--N 1.31 -1.485 0 C-N-CA 121.34 1.36 . . . . 0.0 111.268 178.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 67.1 t -51.91 -48.34 39.96 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.573 0 O-C-N 121.721 -0.612 . . . . 0.0 110.595 -178.476 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 60.7 t -65.19 -48.14 84.78 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.726 0 C-N-CA 118.293 -1.363 . . . . 0.0 109.209 -178.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.96 -46.33 78.51 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.387 -0.821 . . . . 0.0 109.467 179.33 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -60.25 -36.61 78.15 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.021 -1.05 . . . . 0.0 110.583 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.8 tm-20 -62.89 -37.63 87.72 Favored 'General case' 0 N--CA 1.487 1.406 0 C-N-CA 119.306 -0.958 . . . . 0.0 110.064 -179.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 84.4 mt -60.2 -40.04 82.43 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.448 0 O-C-N 120.707 -1.246 . . . . 0.0 109.137 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 77.2 t -63.69 -39.45 85.4 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 178.473 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.411 ' O ' ' OE1' ' A' ' 44' ' ' GLN . . . -59.77 -29.54 68.26 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.345 -0.847 . . . . 0.0 109.093 179.153 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 44.8 m -78.15 -29.43 48.68 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.142 -0.974 . . . . 0.0 109.531 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 38.5 t -80.6 105.71 12.06 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.1 -1.0 . . . . 0.0 109.665 -179.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -61.84 -30.48 70.87 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.307 -0.871 . . . . 0.0 110.37 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -69.84 -39.76 76.25 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.105 -0.997 . . . . 0.0 110.915 -178.411 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 98.5 m -85.66 -35.15 21.09 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 120.658 -1.276 . . . . 0.0 110.389 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.415 ' NE2' ' CG ' ' B' ' 44' ' ' GLN . 48.1 tt0 -69.93 -48.37 58.76 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.065 -1.022 . . . . 0.0 110.955 -178.703 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.9 mt -80.85 17.85 1.11 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.178 -0.951 . . . . 0.0 109.636 -178.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.415 ' H ' ' C ' ' A' ' 44' ' ' GLN . 76.1 tttt -84.2 128.82 34.81 Favored 'General case' 0 C--N 1.296 -1.723 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 179.332 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 149.08 -164.6 29.26 Favored Glycine 0 N--CA 1.491 2.323 0 N-CA-C 108.87 -1.692 . . . . 0.0 108.87 -179.459 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -88.24 122.59 31.95 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.172 -1.193 . . . . 0.0 109.885 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -97.92 152.45 19.22 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.268 -0.895 . . . . 0.0 109.058 179.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 1.8 tmt? -50.8 124.25 10.7 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 120.93 -1.107 . . . . 0.0 108.766 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 -151.59 -179.51 7.47 Favored 'General case' 0 C--N 1.299 -1.624 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 -179.142 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 119.62 119.16 2.76 Favored Glycine 0 N--CA 1.5 2.954 0 N-CA-C 109.722 -1.351 . . . . 0.0 109.722 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -93.14 123.84 36.7 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.422 -1.046 . . . . 0.0 108.674 179.448 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 1.4 t 48.37 -142.27 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 120.998 -1.064 . . . . 0.0 108.766 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 50.8 p-10 . . . . . 0 N--CA 1.492 1.654 0 CA-C-O 117.978 -1.01 . . . . 0.0 109.586 179.823 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 . . . . . 0 N--CA 1.488 1.437 0 CA-C-O 121.306 0.574 . . . . 0.0 109.977 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 53.3 mt -71.92 -31.18 66.1 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.303 -0.873 . . . . 0.0 112.141 -178.199 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 54.2 t0 -61.74 -51.25 69.11 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 120.541 -1.35 . . . . 0.0 110.923 -178.07 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.52 -42.37 73.14 Favored Glycine 0 N--CA 1.491 2.313 0 N-CA-C 109.664 -1.375 . . . . 0.0 109.664 -179.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 91.4 mt -59.34 -40.62 81.94 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.613 0 O-C-N 121.272 -1.134 . . . . 0.0 110.28 -179.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -55.73 -47.58 76.68 Favored 'General case' 0 C--N 1.303 -1.42 0 C-N-CA 119.101 -1.04 . . . . 0.0 108.474 -179.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 17.7 ttmm -68.34 -44.47 75.23 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.407 -0.808 . . . . 0.0 109.392 179.241 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.67 -35.98 82.78 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.384 -0.823 . . . . 0.0 109.087 179.516 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -58.06 -40.6 81.4 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.301 -0.874 . . . . 0.0 109.157 -179.537 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -60.41 -39.87 88.93 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.037 -1.04 . . . . 0.0 108.548 179.192 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 14.2 tm-20 -60.9 -40.74 94.24 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 119.53 -0.868 . . . . 0.0 108.86 179.209 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . 0.562 ' O ' ' N ' ' B' ' 16' ' ' HIS . 17.5 t60 -62.23 -44.82 95.71 Favored 'General case' 0 C--N 1.301 -1.503 0 C-N-CA 119.277 -0.969 . . . . 0.0 109.94 179.602 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 46.1 tp10 -60.69 -45.01 95.82 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.09 -1.006 . . . . 0.0 110.221 -179.391 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 52.5 mtmt -61.02 -32.54 72.14 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.295 -0.878 . . . . 0.0 112.886 -178.226 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 49.7 m-85 -137.26 -6.28 1.81 Allowed 'General case' 0 N--CA 1.509 2.505 0 O-C-N 120.667 -1.27 . . . . 0.0 112.903 -176.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.562 ' N ' ' O ' ' B' ' 12' ' ' HIS . 91.4 m-70 54.27 46.41 25.25 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 120.586 -1.321 . . . . 0.0 107.446 -177.587 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 88.6 p -68.61 159.43 32.01 Favored 'General case' 0 C--N 1.302 -1.467 0 CA-C-O 121.487 0.66 . . . . 0.0 110.608 -178.464 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -74.52 157.32 35.71 Favored 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 179.199 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 49.7 p-90 -58.89 -31.41 68.58 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 120.98 -1.075 . . . . 0.0 109.841 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 83.0 mtm180 -61.31 -40.53 94.54 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.866 -1.146 . . . . 0.0 108.768 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.95 -48.9 62.06 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.345 -0.847 . . . . 0.0 109.128 179.246 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 76.2 mtm -62.08 -41.81 98.56 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.095 -1.003 . . . . 0.0 109.699 179.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . 0.524 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -59.71 -43.27 94.19 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.166 -0.959 . . . . 0.0 109.014 179.764 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 9.0 t -71.77 -34.93 69.86 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.528 -0.733 . . . . 0.0 110.079 179.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -61.49 -42.95 99.56 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.461 -0.774 . . . . 0.0 109.72 -179.277 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -108.45 -0.02 20.75 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.698 -0.626 . . . . 0.0 110.276 -179.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . 0.524 ' N ' ' O ' ' B' ' 23' ' ' ALA . 77.5 m-20 54.2 47.46 23.09 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.388 -0.82 . . . . 0.0 109.642 179.582 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 82.1 mt -111.38 149.41 40.58 Favored Pre-proline 0 N--CA 1.499 1.982 0 O-C-N 121.28 -0.887 . . . . 0.0 109.624 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_exo -44.1 144.14 2.91 Favored 'Trans proline' 0 N--CA 1.488 1.15 0 C-N-CA 121.654 1.569 . . . . 0.0 111.386 178.516 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -45.7 -39.28 18.07 Favored 'Trans proline' 0 C--N 1.312 -1.389 0 C-N-CA 121.435 1.423 . . . . 0.0 111.062 178.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 69.0 t -51.84 -49.37 36.89 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.58 0 O-C-N 121.822 -0.549 . . . . 0.0 110.635 -178.553 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 58.8 t -64.72 -47.88 86.88 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.935 0 C-N-CA 118.315 -1.354 . . . . 0.0 109.22 -178.612 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.03 -46.38 78.07 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.084 -1.01 . . . . 0.0 109.594 179.139 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -60.24 -36.4 77.66 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.151 -0.968 . . . . 0.0 110.546 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 13.5 tm-20 -63.13 -37.86 88.89 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 120.915 -1.116 . . . . 0.0 109.922 -179.038 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 87.7 mt -59.58 -40.19 81.4 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.399 0 O-C-N 120.947 -1.096 . . . . 0.0 109.029 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 78.1 t -63.56 -39.27 84.73 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 178.587 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . 0.555 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -59.83 -30.1 68.72 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.415 -0.803 . . . . 0.0 108.928 179.07 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 35.4 m -77.67 -28.98 51.32 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.06 -1.025 . . . . 0.0 109.681 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 40.3 t -81.34 105.22 12.35 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.261 -0.9 . . . . 0.0 109.554 -179.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -61.36 -30.82 70.76 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.612 -0.68 . . . . 0.0 110.305 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -69.5 -39.75 77.41 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 120.977 -1.077 . . . . 0.0 111.199 -178.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 91.4 m -85.81 -35.57 20.59 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 120.813 -1.18 . . . . 0.0 110.136 -179.627 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . 0.555 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 6.2 tt0 -69.85 -47.92 60.86 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 120.643 -1.286 . . . . 0.0 111.167 -178.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 97.2 mt -80.96 17.73 1.15 Allowed 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.099 -1.001 . . . . 0.0 109.529 -179.172 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . 0.401 ' H ' ' C ' ' B' ' 44' ' ' GLN . 77.0 tttt -84.08 129.54 34.9 Favored 'General case' 0 C--N 1.297 -1.686 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 179.566 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 148.53 -165.09 29.1 Favored Glycine 0 N--CA 1.489 2.194 0 N-CA-C 108.519 -1.832 . . . . 0.0 108.519 -179.267 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -87.96 122.42 31.54 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.418 -1.049 . . . . 0.0 109.753 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -97.42 152.82 18.57 Favored 'General case' 0 N--CA 1.496 1.829 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 179.487 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 1.8 tmt? -51.55 125.61 15.12 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.004 -1.06 . . . . 0.0 108.401 179.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 -152.58 -178.97 7.19 Favored 'General case' 0 C--N 1.3 -1.581 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 -179.115 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 119.65 121.76 2.97 Favored Glycine 0 N--CA 1.499 2.882 0 N-CA-C 109.536 -1.426 . . . . 0.0 109.536 179.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -95.31 122.86 38.46 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.559 -0.965 . . . . 0.0 108.56 179.612 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 1.5 t 48.55 -141.61 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.028 -1.045 . . . . 0.0 108.753 -179.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 52.7 p-10 . . . . . 0 N--CA 1.495 1.777 0 CA-C-O 117.868 -1.063 . . . . 0.0 109.514 179.841 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 . . . . . 0 N--CA 1.491 1.583 0 CA-C-O 121.442 0.639 . . . . 0.0 110.245 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 25.0 mt -70.1 -29.97 67.07 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.503 -0.748 . . . . 0.0 111.681 -177.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -62.57 -52.39 63.6 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.431 -1.418 . . . . 0.0 111.45 -178.039 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.89 -43.77 57.48 Favored Glycine 0 N--CA 1.489 2.201 0 N-CA-C 110.077 -1.209 . . . . 0.0 110.077 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.439 ' O ' ' N ' ' A' ' 9' ' ' GLN . 96.0 mt -58.7 -40.22 78.82 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.549 0 O-C-N 121.053 -1.263 . . . . 0.0 109.942 -179.523 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 57.0 t0 -56.23 -44.44 79.59 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 120.837 -1.165 . . . . 0.0 108.925 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.2 ttmp? -68.48 -46.24 70.25 Favored 'General case' 0 N--CA 1.494 1.759 0 C-N-CA 119.34 -0.944 . . . . 0.0 109.044 178.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.29 -34.91 78.71 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.496 -0.753 . . . . 0.0 109.453 179.527 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.439 ' N ' ' O ' ' A' ' 5' ' ' ILE . 6.7 tt0 -58.64 -39.88 81.83 Favored 'General case' 0 C--N 1.305 -1.347 0 O-C-N 121.313 -0.867 . . . . 0.0 109.35 -179.102 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -60.73 -39.78 89.92 Favored 'General case' 0 C--N 1.305 -1.349 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 178.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.8 tm-20 -60.5 -40.72 92.39 Favored 'General case' 0 N--CA 1.492 1.644 0 N-CA-C 108.223 -1.029 . . . . 0.0 108.223 179.132 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.551 ' O ' ' N ' ' A' ' 16' ' ' HIS . 16.3 t60 -62.55 -47.26 84.66 Favored 'General case' 0 C--N 1.306 -1.311 0 C-N-CA 119.261 -0.976 . . . . 0.0 109.752 179.643 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 76.0 tt0 -59.53 -45.58 91.34 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.053 -1.029 . . . . 0.0 110.244 -178.258 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 52.4 mtpt -60.69 -30.8 70.15 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.207 -0.933 . . . . 0.0 113.403 -178.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -138.85 -5.79 1.49 Allowed 'General case' 0 N--CA 1.507 2.397 0 O-C-N 120.515 -1.365 . . . . 0.0 112.519 -176.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.551 ' N ' ' O ' ' A' ' 12' ' ' HIS . 93.0 m-70 54.89 42.35 31.17 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 -177.653 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 96.3 p -61.05 156.45 17.9 Favored 'General case' 0 C--N 1.302 -1.481 0 C-N-CA 120.105 -0.638 . . . . 0.0 109.983 -179.06 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 33.5 m120 -73.06 155.08 40.13 Favored 'General case' 0 C--N 1.305 -1.344 0 O-C-N 121.264 -0.897 . . . . 0.0 109.425 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 34.0 p-90 -55.96 -29.42 60.18 Favored 'General case' 0 C--N 1.298 -1.655 0 C-N-CA 119.126 -1.03 . . . . 0.0 109.357 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 84.6 mtm180 -63.89 -40.78 97.33 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 120.86 -1.15 . . . . 0.0 110.209 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.02 -47.36 68.65 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.217 -0.927 . . . . 0.0 109.976 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 77.9 mtm -60.68 -38.36 84.68 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.065 -1.022 . . . . 0.0 109.615 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.505 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -56.67 -49.31 75.46 Favored 'General case' 0 C--N 1.301 -1.529 0 C-N-CA 118.993 -1.083 . . . . 0.0 108.532 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 21.5 t -69.85 -35.2 74.53 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.43 -0.794 . . . . 0.0 110.37 -179.642 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 58.4 t0 -59.07 -46.57 87.94 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.226 -0.921 . . . . 0.0 110.202 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -108.41 3.31 23.14 Favored 'General case' 0 N--CA 1.502 2.126 0 O-C-N 121.261 -0.899 . . . . 0.0 110.43 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.505 ' N ' ' O ' ' A' ' 23' ' ' ALA . 81.9 m-20 55.94 44.89 24.95 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.17 -0.956 . . . . 0.0 109.695 179.418 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 60.7 mt -108.54 152.28 42.03 Favored Pre-proline 0 N--CA 1.501 2.112 0 N-CA-C 107.683 -1.229 . . . . 0.0 107.683 179.437 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_endo -63.52 151.42 85.08 Favored 'Trans proline' 0 N--CA 1.49 1.313 0 C-N-CA 121.391 1.394 . . . . 0.0 111.26 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_exo -43.26 -38.78 8.24 Favored 'Trans proline' 0 N--CA 1.491 1.372 0 C-N-CA 122.463 2.109 . . . . 0.0 111.914 179.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 25.6 t -51.71 -51.5 26.75 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.63 0 O-C-N 121.417 -0.802 . . . . 0.0 110.471 -178.681 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 91.8 t -65.89 -46.85 87.38 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.753 0 C-N-CA 118.702 -1.199 . . . . 0.0 109.647 -178.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.72 -44.34 81.85 Favored 'General case' 0 C--N 1.299 -1.618 0 C-N-CA 119.584 -0.846 . . . . 0.0 109.983 -179.539 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.516 ' NZ ' ' OE2' ' B' ' 35' ' ' GLU . 10.2 mtpm? -61.21 -37.37 82.74 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.201 -0.937 . . . . 0.0 110.307 -179.775 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.42 ' OE2' ' NZ ' ' B' ' 34' ' ' LYS . 14.2 tm-20 -61.04 -36.91 80.82 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.883 -1.135 . . . . 0.0 109.77 -178.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 84.2 mt -59.72 -39.63 80.22 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.405 0 O-C-N 120.855 -1.153 . . . . 0.0 108.38 179.285 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 81.3 t -63.45 -39.37 85.07 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 O-C-N 121.303 -0.873 . . . . 0.0 109.097 179.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.44 ' O ' ' OE1' ' A' ' 44' ' ' GLN . . . -59.83 -33.94 72.43 Favored 'General case' 0 C--N 1.3 -1.568 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 179.532 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 34.8 m -74.53 -29.92 61.57 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.16 -0.962 . . . . 0.0 109.727 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 50.7 t -82.16 103.17 11.57 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.16 -0.963 . . . . 0.0 109.173 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -60.15 -30.01 69.03 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 120.967 -1.083 . . . . 0.0 110.373 -179.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -69.2 -38.73 78.78 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 120.888 -1.133 . . . . 0.0 110.922 -178.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 94.2 m -90.55 -14.96 31.52 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.216 -0.928 . . . . 0.0 109.65 179.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.44 ' OE1' ' O ' ' A' ' 38' ' ' ALA . 35.1 tt0 -70.3 -65.56 0.71 Allowed 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.184 -0.947 . . . . 0.0 109.562 -178.801 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 48.8 mt -80.01 107.56 12.9 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 120.753 -1.217 . . . . 0.0 108.552 179.296 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 37.3 tttp -94.57 131.54 40.21 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.061 -1.025 . . . . 0.0 110.737 -178.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 64.01 -155.59 45.43 Favored Glycine 0 N--CA 1.492 2.411 0 N-CA-C 110.146 -1.182 . . . . 0.0 110.146 178.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -75.41 148.0 39.51 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.444 -1.033 . . . . 0.0 109.967 -179.566 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -99.27 -139.74 0.32 Allowed 'General case' 0 N--CA 1.502 2.172 0 O-C-N 121.144 -0.972 . . . . 0.0 109.876 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 26.2 ttt -60.0 149.75 31.13 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.15 -0.969 . . . . 0.0 111.059 -178.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.536 ' CG ' ' O ' ' B' ' 52' ' ' GLY . 19.6 t-80 50.13 -142.57 0.63 Allowed 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.539 -0.726 . . . . 0.0 110.183 179.278 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.506 ' H ' ' CG ' ' A' ' 51' ' ' HIS . . . -179.15 -155.13 14.11 Favored Glycine 0 N--CA 1.491 2.344 0 N-CA-C 109.026 -1.63 . . . . 0.0 109.026 -179.02 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.402 ' O ' ' O ' ' A' ' 54' ' ' VAL . 89.8 mt-30 -89.36 107.67 19.2 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.981 -1.305 . . . . 0.0 109.516 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.402 ' O ' ' O ' ' A' ' 53' ' ' GLN . 45.5 t 55.88 166.1 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 O-C-N 121.681 -0.637 . . . . 0.0 109.645 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 63.4 t0 . . . . . 0 N--CA 1.491 1.595 0 CA-C-O 118.002 -0.999 . . . . 0.0 109.488 -179.608 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 . . . . . 0 N--CA 1.495 1.791 0 CA-C-O 121.476 0.655 . . . . 0.0 110.082 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 26.6 mt -70.33 -29.85 66.66 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.204 -0.935 . . . . 0.0 111.192 -178.095 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -62.37 -54.57 38.49 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 120.549 -1.345 . . . . 0.0 111.334 -178.173 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.7 -44.26 71.49 Favored Glycine 0 N--CA 1.493 2.485 0 N-CA-C 109.816 -1.313 . . . . 0.0 109.816 -179.528 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . 0.475 ' O ' ' N ' ' B' ' 9' ' ' GLN . 96.8 mt -58.78 -40.03 78.61 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.384 0 O-C-N 121.382 -1.07 . . . . 0.0 110.274 -179.264 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 57.1 t0 -57.35 -43.73 83.73 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 120.722 -1.236 . . . . 0.0 108.112 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 4.4 ttmp? -68.15 -47.59 67.66 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 118.947 -1.101 . . . . 0.0 109.238 178.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.43 -35.27 79.89 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.482 -0.761 . . . . 0.0 109.476 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . 0.475 ' N ' ' O ' ' B' ' 5' ' ' ILE . 6.9 tt0 -56.98 -39.68 75.09 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.276 -0.89 . . . . 0.0 109.335 -179.327 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -60.58 -40.64 92.44 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 178.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 14.0 tm-20 -59.27 -41.56 89.15 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.182 -0.949 . . . . 0.0 108.756 179.255 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . 0.582 ' O ' ' N ' ' B' ' 16' ' ' HIS . 17.5 t60 -61.56 -47.1 87.05 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.118 -0.989 . . . . 0.0 109.962 179.737 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -59.75 -45.01 93.54 Favored 'General case' 0 C--N 1.293 -1.852 0 O-C-N 121.091 -1.005 . . . . 0.0 110.627 -178.517 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 52.4 mtpt -60.96 -33.26 72.92 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.484 -0.76 . . . . 0.0 112.988 -178.49 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -136.37 -5.32 2.05 Favored 'General case' 0 N--CA 1.506 2.354 0 O-C-N 120.781 -1.199 . . . . 0.0 112.416 -176.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.582 ' N ' ' O ' ' B' ' 12' ' ' HIS . 93.1 m-70 54.88 40.71 32.11 Favored 'General case' 0 N--CA 1.499 2.001 0 N-CA-C 107.33 -1.359 . . . . 0.0 107.33 -177.493 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 90.9 p -59.52 154.04 18.24 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.638 -0.664 . . . . 0.0 110.216 -179.026 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 35.6 m120 -71.53 155.96 39.97 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.488 -0.757 . . . . 0.0 108.983 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 40.1 p-90 -57.25 -29.08 63.51 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.795 -1.191 . . . . 0.0 109.729 -179.642 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 83.6 mtm180 -63.04 -39.96 96.29 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.03 -1.044 . . . . 0.0 110.322 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.93 -47.34 62.79 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.403 -0.811 . . . . 0.0 110.136 -179.621 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 78.0 mtm -60.53 -38.38 84.26 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.24 -0.912 . . . . 0.0 108.953 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . 0.496 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -56.76 -49.74 74.36 Favored 'General case' 0 N--CA 1.49 1.56 0 C-N-CA 119.597 -0.841 . . . . 0.0 109.454 179.444 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 16.8 t -70.03 -33.73 72.36 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.147 -0.97 . . . . 0.0 110.038 179.583 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -59.62 -46.25 89.52 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.985 -1.072 . . . . 0.0 109.922 -179.089 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -109.43 3.37 21.34 Favored 'General case' 0 N--CA 1.503 2.211 0 O-C-N 121.459 -0.776 . . . . 0.0 110.547 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . 0.496 ' N ' ' O ' ' B' ' 23' ' ' ALA . 79.8 m-20 55.42 48.04 19.86 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.013 -1.054 . . . . 0.0 109.687 179.553 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 62.5 mt -111.56 151.4 43.29 Favored Pre-proline 0 N--CA 1.503 2.186 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 179.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_endo -62.0 151.11 83.48 Favored 'Trans proline' 0 C--N 1.314 -1.289 0 C-N-CA 121.008 1.138 . . . . 0.0 111.619 -179.561 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_exo -43.3 -39.09 8.61 Favored 'Trans proline' 0 N--CA 1.493 1.467 0 C-N-CA 122.588 2.192 . . . . 0.0 111.35 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 23.8 t -51.01 -53.8 12.91 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.736 0 O-C-N 121.625 -0.672 . . . . 0.0 110.301 -178.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 94.1 t -63.79 -46.9 93.17 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.85 0 C-N-CA 118.588 -1.245 . . . . 0.0 110.134 -178.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.16 -42.99 83.39 Favored 'General case' 0 C--N 1.299 -1.624 0 C-N-CA 119.494 -0.883 . . . . 0.0 109.873 -179.594 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.42 ' NZ ' ' OE2' ' A' ' 35' ' ' GLU . 10.2 mtpm? -62.7 -35.49 79.88 Favored 'General case' 0 N--CA 1.486 1.363 0 O-C-N 120.851 -1.155 . . . . 0.0 110.325 -179.437 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . 0.516 ' OE2' ' NZ ' ' A' ' 34' ' ' LYS . 15.1 tm-20 -62.39 -36.46 82.38 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 120.834 -1.166 . . . . 0.0 109.757 -179.239 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 82.9 mt -60.49 -39.91 82.68 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.465 0 C-N-CA 119.169 -1.012 . . . . 0.0 108.28 179.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 76.7 t -63.24 -39.36 84.96 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.584 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 178.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . 0.546 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -60.27 -33.05 71.77 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.543 -0.723 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 36.1 m -76.68 -27.72 55.67 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.261 -0.9 . . . . 0.0 109.801 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 51.6 t -82.54 104.76 13.05 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.053 -1.03 . . . . 0.0 109.2 179.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -61.48 -29.32 69.9 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.337 -0.852 . . . . 0.0 110.491 -179.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -70.27 -39.27 75.05 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.109 -0.995 . . . . 0.0 110.524 -178.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 84.0 m -89.71 -16.25 30.79 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.264 -0.898 . . . . 0.0 109.696 179.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . 0.546 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 22.6 tt0 -68.76 -65.06 0.75 Allowed 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.141 -0.975 . . . . 0.0 110.205 -179.405 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 45.8 mt -80.89 109.8 15.81 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 120.585 -1.322 . . . . 0.0 108.412 179.337 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 38.4 tttp -97.76 130.7 44.7 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.359 -0.838 . . . . 0.0 110.453 -178.476 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 66.77 -157.27 50.89 Favored Glycine 0 N--CA 1.492 2.41 0 N-CA-C 109.957 -1.257 . . . . 0.0 109.957 179.43 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -75.9 146.95 39.36 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.405 -1.056 . . . . 0.0 109.66 179.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -97.01 -139.53 0.28 Allowed 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.136 -0.977 . . . . 0.0 110.168 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 23.6 ttt -59.66 149.36 30.75 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.456 -0.777 . . . . 0.0 110.265 -179.357 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' HIS . . . . . 0.527 ' CG ' ' H ' ' B' ' 52' ' ' GLY . 17.9 t-80 50.42 -142.33 0.67 Allowed 'General case' 0 N--CA 1.488 1.464 0 CA-C-O 121.464 0.649 . . . . 0.0 110.691 179.052 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . 0.536 ' O ' ' CG ' ' A' ' 51' ' ' HIS . . . -179.59 -154.47 13.32 Favored Glycine 0 N--CA 1.484 1.86 0 N-CA-C 109.052 -1.619 . . . . 0.0 109.052 -178.679 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -90.0 106.18 18.3 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.427 -1.043 . . . . 0.0 109.333 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 41.4 t 56.29 165.62 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.843 0 O-C-N 121.379 -0.826 . . . . 0.0 110.009 179.505 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 58.9 t0 . . . . . 0 N--CA 1.495 1.779 0 CA-C-O 117.77 -1.11 . . . . 0.0 109.681 -179.645 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.49 ' CE2' ' CE2' ' B' ' 1' ' ' PHE . 76.2 m-85 . . . . . 0 N--CA 1.49 1.55 0 CA-C-O 121.123 0.487 . . . . 0.0 109.905 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 37.0 mt -72.12 -34.89 68.92 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.313 -0.867 . . . . 0.0 111.854 -178.245 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -62.22 -47.85 82.61 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.728 -1.232 . . . . 0.0 110.85 -178.244 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.06 -43.24 49.16 Favored Glycine 0 N--CA 1.494 2.546 0 N-CA-C 109.168 -1.573 . . . . 0.0 109.168 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.509 ' O ' ' N ' ' A' ' 9' ' ' GLN . 80.1 mt -59.49 -39.43 79.22 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.486 0 O-C-N 121.235 -1.156 . . . . 0.0 109.697 179.711 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 51.7 t0 -55.45 -49.31 72.79 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 120.746 -1.221 . . . . 0.0 109.055 -179.604 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 58.1 mttm -68.96 -40.04 79.14 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 120.899 -1.126 . . . . 0.0 109.504 179.183 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.46 -35.58 77.77 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.274 -0.891 . . . . 0.0 109.747 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.509 ' N ' ' O ' ' A' ' 5' ' ' ILE . 53.4 tt0 -59.49 -40.06 85.78 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 108.585 -0.895 . . . . 0.0 108.585 -179.631 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 74.5 tt0 -61.08 -41.95 97.59 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.019 -1.051 . . . . 0.0 108.64 178.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.6 tm-20 -60.73 -40.25 91.67 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.544 -0.722 . . . . 0.0 109.085 179.49 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.545 ' O ' ' N ' ' A' ' 16' ' ' HIS . 14.7 t60 -60.79 -46.12 91.73 Favored 'General case' 0 C--N 1.304 -1.398 0 C-N-CA 119.575 -0.85 . . . . 0.0 109.688 179.611 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -60.24 -44.35 95.32 Favored 'General case' 0 C--N 1.297 -1.704 0 O-C-N 121.39 -0.819 . . . . 0.0 109.985 -179.619 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 50.5 mtmt -61.88 -31.44 71.72 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.467 -0.77 . . . . 0.0 112.963 -178.287 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 65.1 m-85 -138.18 -7.42 1.57 Allowed 'General case' 0 N--CA 1.506 2.349 0 O-C-N 120.755 -1.216 . . . . 0.0 112.541 -176.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.545 ' N ' ' O ' ' A' ' 12' ' ' HIS . 87.5 m-70 54.62 40.67 32.02 Favored 'General case' 0 N--CA 1.497 1.888 0 N-CA-C 107.235 -1.395 . . . . 0.0 107.235 -177.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 89.7 p -64.05 156.85 26.88 Favored 'General case' 0 N--CA 1.488 1.427 0 CA-C-O 121.45 0.643 . . . . 0.0 111.033 -178.118 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -71.05 157.92 37.38 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.473 -0.767 . . . . 0.0 109.099 179.289 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 54.0 p-90 -57.1 -29.66 63.69 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.245 -0.91 . . . . 0.0 110.318 -179.57 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 75.6 mtm180 -63.15 -40.51 97.78 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.86 -1.15 . . . . 0.0 109.885 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.34 -49.04 65.72 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.198 -0.939 . . . . 0.0 109.441 -179.427 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 79.4 mtm -61.19 -40.47 94.05 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.145 -0.972 . . . . 0.0 109.41 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.475 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -57.66 -45.99 84.8 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 119.394 -0.923 . . . . 0.0 109.26 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 20.4 m -69.94 -38.52 76.19 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.388 -0.82 . . . . 0.0 110.428 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -60.18 -40.38 89.78 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.097 -1.002 . . . . 0.0 110.607 -178.563 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -111.36 3.15 18.02 Favored 'General case' 0 N--CA 1.503 2.212 0 O-C-N 121.206 -0.934 . . . . 0.0 110.023 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.475 ' N ' ' O ' ' A' ' 23' ' ' ALA . 82.2 m-20 55.79 42.6 28.91 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.362 -0.836 . . . . 0.0 110.279 179.699 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 69.8 mt -106.74 149.9 39.02 Favored Pre-proline 0 N--CA 1.498 1.974 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 179.257 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_endo -60.83 153.68 61.21 Favored 'Trans proline' 0 N--CA 1.493 1.482 0 C-N-CA 121.842 1.694 . . . . 0.0 112.082 -179.285 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_exo -43.11 -41.46 9.46 Favored 'Trans proline' 0 C--N 1.312 -1.382 0 C-N-CA 122.489 2.126 . . . . 0.0 112.767 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.8 t -52.6 -50.11 42.01 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.809 0 O-C-N 121.191 -0.943 . . . . 0.0 110.385 -177.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 57.9 t -65.77 -48.29 82.77 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.932 0 C-N-CA 118.716 -1.194 . . . . 0.0 109.184 -178.571 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.59 -46.76 78.15 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.282 -0.886 . . . . 0.0 109.929 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 88.2 mttt -61.52 -36.12 79.66 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 120.976 -1.078 . . . . 0.0 110.505 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.4 tm-20 -60.72 -39.92 90.4 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 120.857 -1.152 . . . . 0.0 109.979 -179.25 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 73.0 mt -59.63 -40.14 81.41 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 O-C-N 121.141 -0.975 . . . . 0.0 108.829 179.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 89.7 t -63.09 -40.03 87.5 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.4 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 179.394 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.15 -30.77 70.59 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.48 -0.762 . . . . 0.0 109.626 179.607 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.4 m -77.57 -27.08 51.34 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.037 -1.039 . . . . 0.0 109.206 -179.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 42.6 t -80.92 104.17 11.24 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.162 -0.961 . . . . 0.0 109.761 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -60.02 -30.88 69.45 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.576 -0.702 . . . . 0.0 110.048 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 42.6 mtpt -71.19 -40.19 71.37 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.05 -1.031 . . . . 0.0 111.081 -178.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.446 ' O ' ' NZ ' ' A' ' 46' ' ' LYS . 69.4 m -84.75 -19.16 33.08 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 120.687 -1.258 . . . . 0.0 110.161 -179.473 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -75.86 -74.78 0.2 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.093 -1.004 . . . . 0.0 109.341 -179.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 30.7 mt -80.89 99.47 8.36 Favored 'General case' 0 N--CA 1.493 1.704 0 N-CA-C 107.972 -1.122 . . . . 0.0 107.972 179.23 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.446 ' NZ ' ' O ' ' A' ' 43' ' ' CYS . 58.8 mttp -91.9 -8.13 47.26 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.18 -0.95 . . . . 0.0 110.627 -178.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 152.27 -150.43 22.27 Favored Glycine 0 N--CA 1.496 2.688 0 N-CA-C 109.124 -1.59 . . . . 0.0 109.124 -179.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 55.96 32.79 20.5 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.327 -1.102 . . . . 0.0 108.671 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.519 ' O ' ' O ' ' B' ' 49' ' ' ALA . . . -84.32 30.08 0.55 Allowed 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.651 -0.656 . . . . 0.0 109.25 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 58.8 mtt 47.84 25.25 0.7 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.092 -1.005 . . . . 0.0 109.614 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 44.1 t-80 -101.61 128.19 47.99 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.287 -0.883 . . . . 0.0 109.54 -179.601 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -164.34 -169.59 28.1 Favored Glycine 0 N--CA 1.493 2.443 0 N-CA-C 109.49 -1.444 . . . . 0.0 109.49 -179.7 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.484 ' O ' ' O ' ' A' ' 54' ' ' VAL . 61.1 tt0 -86.52 136.53 33.04 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.146 -1.208 . . . . 0.0 108.987 179.589 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.616 ' CG2' ' H ' ' A' ' 55' ' ' ASP . 12.7 p 46.15 -177.0 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.749 0 CA-C-O 121.457 0.646 . . . . 0.0 109.729 -179.518 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.616 ' H ' ' CG2' ' A' ' 54' ' ' VAL . 57.0 t0 . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 117.883 -1.056 . . . . 0.0 109.352 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . 0.49 ' CE2' ' CE2' ' A' ' 1' ' ' PHE . 75.0 m-85 . . . . . 0 N--CA 1.487 1.423 0 CA-C-O 121.305 0.574 . . . . 0.0 109.94 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 33.9 mt -72.44 -33.37 67.02 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.299 -0.876 . . . . 0.0 111.783 -178.544 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -63.46 -48.0 79.49 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 120.713 -1.242 . . . . 0.0 110.494 -178.295 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.7 -43.34 51.9 Favored Glycine 0 N--CA 1.492 2.412 0 N-CA-C 109.307 -1.517 . . . . 0.0 109.307 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . 0.418 ' O ' ' N ' ' B' ' 9' ' ' GLN . 78.1 mt -59.6 -39.38 79.33 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.461 0 O-C-N 121.661 -0.905 . . . . 0.0 109.624 179.728 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -55.69 -48.25 75.43 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 120.854 -1.154 . . . . 0.0 109.063 -179.405 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 59.1 mttm -69.65 -40.91 76.22 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 120.944 -1.097 . . . . 0.0 109.51 179.248 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.18 -35.04 77.4 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.359 -0.838 . . . . 0.0 109.929 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' B' ' 5' ' ' ILE . 53.1 tt0 -59.48 -39.81 84.93 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.021 -1.049 . . . . 0.0 108.771 -179.844 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 74.6 tt0 -61.14 -41.98 97.72 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.267 -0.896 . . . . 0.0 108.616 178.687 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 12.5 tm-20 -60.51 -40.41 91.32 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.503 -0.748 . . . . 0.0 109.093 179.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . 0.572 ' O ' ' N ' ' B' ' 16' ' ' HIS . 15.6 t60 -60.73 -45.7 93.26 Favored 'General case' 0 C--N 1.305 -1.366 0 C-N-CA 119.516 -0.874 . . . . 0.0 109.834 179.482 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -60.44 -44.61 95.65 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.202 -0.936 . . . . 0.0 109.901 -179.625 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 50.7 mtmt -61.23 -32.45 72.24 Favored 'General case' 0 N--CA 1.495 1.786 0 N-CA-C 113.157 0.799 . . . . 0.0 113.157 -178.456 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 63.3 m-85 -137.12 -7.16 1.81 Allowed 'General case' 0 N--CA 1.507 2.417 0 O-C-N 120.741 -1.224 . . . . 0.0 112.466 -176.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.572 ' N ' ' O ' ' B' ' 12' ' ' HIS . 85.7 m-70 54.46 39.83 31.34 Favored 'General case' 0 N--CA 1.495 1.795 0 N-CA-C 107.087 -1.449 . . . . 0.0 107.087 -177.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 88.3 p -62.95 156.91 23.1 Favored 'General case' 0 N--CA 1.488 1.447 0 CA-C-O 121.523 0.678 . . . . 0.0 111.249 -178.342 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -70.84 158.25 36.71 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 179.281 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 54.7 p-90 -57.44 -30.19 64.81 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.197 -0.939 . . . . 0.0 110.171 -179.47 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 75.7 mtm180 -62.92 -40.26 97.07 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.821 -1.174 . . . . 0.0 109.94 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.01 -49.07 66.45 Favored 'General case' 0 C--N 1.299 -1.587 0 O-C-N 121.172 -0.955 . . . . 0.0 109.412 -179.426 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 79.0 mtm -61.54 -40.12 93.53 Favored 'General case' 0 C--N 1.298 -1.66 0 O-C-N 121.099 -1.001 . . . . 0.0 109.817 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . 0.468 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -58.13 -45.29 87.6 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.203 -0.936 . . . . 0.0 109.512 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 25.3 m -70.01 -38.77 76.03 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.251 -0.906 . . . . 0.0 110.634 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -60.06 -40.57 89.95 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.312 -0.868 . . . . 0.0 110.533 -178.334 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -111.14 1.64 17.41 Favored 'General case' 0 N--CA 1.502 2.127 0 O-C-N 121.383 -0.823 . . . . 0.0 110.135 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . 0.468 ' N ' ' O ' ' B' ' 23' ' ' ALA . 81.1 m-20 56.75 42.94 26.02 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.633 -0.667 . . . . 0.0 110.27 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 73.4 mt -106.52 149.52 38.44 Favored Pre-proline 0 N--CA 1.496 1.869 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 179.31 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_endo -61.23 154.05 60.74 Favored 'Trans proline' 0 N--CA 1.494 1.542 0 C-N-CA 121.829 1.686 . . . . 0.0 111.975 -179.087 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -43.33 -40.7 9.87 Favored 'Trans proline' 0 C--N 1.314 -1.274 0 C-N-CA 122.515 2.144 . . . . 0.0 112.625 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 57.3 t -53.67 -50.25 51.89 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.749 0 C-N-CA 119.511 -0.876 . . . . 0.0 110.523 -177.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 59.2 t -65.59 -47.44 86.34 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.945 0 C-N-CA 118.617 -1.233 . . . . 0.0 109.36 -178.712 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.83 -47.74 74.0 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.27 -0.894 . . . . 0.0 109.974 179.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -61.01 -35.48 76.97 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 121.202 -0.936 . . . . 0.0 110.526 -179.548 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.9 tm-20 -60.73 -39.86 90.23 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.858 -1.151 . . . . 0.0 109.996 -179.394 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 74.5 mt -60.3 -39.69 81.6 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.297 0 O-C-N 120.991 -1.068 . . . . 0.0 108.849 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 89.3 t -63.23 -40.15 87.95 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.514 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 179.43 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . 0.436 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -61.33 -30.76 70.71 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.612 -0.68 . . . . 0.0 109.731 179.348 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 15.3 m -77.42 -26.19 51.44 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.208 -0.933 . . . . 0.0 109.11 -179.607 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 43.6 t -81.77 104.46 12.17 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 119.942 -0.703 . . . . 0.0 109.776 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -60.37 -31.64 70.53 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.448 -0.782 . . . . 0.0 110.147 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 42.7 mtpt -70.26 -40.02 74.63 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.016 -1.053 . . . . 0.0 111.209 -178.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . 0.477 ' O ' ' NZ ' ' B' ' 46' ' ' LYS . 67.5 m -85.2 -19.35 31.82 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 120.681 -1.262 . . . . 0.0 110.353 -179.262 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . 0.436 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 12.3 tt0 -75.99 -74.59 0.22 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.145 -0.972 . . . . 0.0 109.113 -179.821 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 26.1 mt -80.57 99.68 8.22 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.894 -1.129 . . . . 0.0 108.054 179.313 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . 0.477 ' NZ ' ' O ' ' B' ' 43' ' ' CYS . 58.4 mttp -92.89 -7.03 47.32 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.32 -0.863 . . . . 0.0 110.351 -178.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 151.52 -151.1 23.09 Favored Glycine 0 N--CA 1.496 2.653 0 N-CA-C 109.368 -1.493 . . . . 0.0 109.368 -179.318 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 79.6 mt-10 55.42 33.86 21.77 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.289 -1.124 . . . . 0.0 108.595 -179.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . 0.519 ' O ' ' O ' ' A' ' 49' ' ' ALA . . . -85.55 30.12 0.65 Allowed 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.669 -0.645 . . . . 0.0 109.273 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 59.0 mtt 47.7 26.73 0.92 Allowed 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.061 -1.024 . . . . 0.0 109.833 179.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 45.0 t-80 -102.8 131.04 49.95 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.424 -0.798 . . . . 0.0 109.426 -179.675 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -166.93 -167.09 27.09 Favored Glycine 0 N--CA 1.489 2.198 0 N-CA-C 109.538 -1.425 . . . . 0.0 109.538 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . 0.479 ' O ' ' O ' ' B' ' 54' ' ' VAL . 63.9 tt0 -88.92 137.04 32.68 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.329 -1.101 . . . . 0.0 108.726 179.704 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.623 ' CG2' ' H ' ' B' ' 55' ' ' ASP . 13.6 p 45.86 -176.16 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 CA-C-O 121.439 0.638 . . . . 0.0 109.714 -179.568 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . 0.623 ' H ' ' CG2' ' B' ' 54' ' ' VAL . 56.4 t0 . . . . . 0 N--CA 1.493 1.72 0 O-C-N 120.898 -1.126 . . . . 0.0 109.51 -179.503 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.532 ' CE2' ' CE2' ' B' ' 1' ' ' PHE . 62.7 m-85 . . . . . 0 N--CA 1.493 1.677 0 CA-C-O 121.578 0.704 . . . . 0.0 109.631 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 43.2 mt -72.52 -41.4 65.92 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.496 -0.753 . . . . 0.0 110.865 -178.464 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 60.8 t0 -63.83 -53.55 48.9 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 120.897 -1.127 . . . . 0.0 110.895 -179.067 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.18 -45.05 96.74 Favored Glycine 0 N--CA 1.495 2.576 0 N-CA-C 110.396 -1.081 . . . . 0.0 110.396 -179.288 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 68.9 mt -59.57 -39.02 78.32 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.31 -1.112 . . . . 0.0 110.524 -179.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -55.46 -45.32 76.91 Favored 'General case' 0 C--N 1.302 -1.485 0 C-N-CA 118.876 -1.13 . . . . 0.0 109.422 -179.129 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -69.93 -43.43 71.67 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.149 -0.97 . . . . 0.0 109.112 179.452 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.32 -34.97 79.19 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 119.584 -0.847 . . . . 0.0 109.681 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -58.44 -41.4 85.0 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 120.98 -1.075 . . . . 0.0 109.628 -179.037 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -62.12 -41.21 98.01 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.838 -1.164 . . . . 0.0 108.693 179.027 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -60.0 -40.69 90.05 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 179.031 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.577 ' O ' ' N ' ' A' ' 16' ' ' HIS . 13.5 t60 -61.76 -47.5 84.9 Favored 'General case' 0 C--N 1.306 -1.304 0 CA-C-O 121.572 0.701 . . . . 0.0 110.117 179.648 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.2 tp10 -60.72 -41.56 95.55 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 120.922 -1.111 . . . . 0.0 109.861 -179.116 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -60.88 -31.92 71.38 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.498 -0.751 . . . . 0.0 112.367 -178.547 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -140.07 -4.93 1.31 Allowed 'General case' 0 N--CA 1.508 2.432 0 O-C-N 120.722 -1.236 . . . . 0.0 112.788 -177.089 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.577 ' N ' ' O ' ' A' ' 12' ' ' HIS . 90.0 m-70 54.04 42.33 31.66 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 120.191 -1.568 . . . . 0.0 107.309 -177.605 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 93.9 p -63.92 156.89 26.33 Favored 'General case' 0 C--N 1.303 -1.442 0 CA-C-O 121.553 0.692 . . . . 0.0 110.709 -178.494 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -73.05 156.22 38.98 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.371 -0.831 . . . . 0.0 109.288 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 36.1 p-90 -54.46 -30.56 53.28 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.093 -1.004 . . . . 0.0 110.242 -179.247 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 59.5 mtp180 -61.05 -40.25 92.92 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.902 -1.124 . . . . 0.0 109.529 -179.695 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.85 -50.02 53.45 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.406 -0.809 . . . . 0.0 109.695 -179.732 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 78.6 mtm -60.79 -39.72 89.96 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.216 -0.927 . . . . 0.0 109.662 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.523 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -60.4 -47.34 86.49 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.147 -0.97 . . . . 0.0 109.149 179.583 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 62.8 m -69.38 -36.0 76.37 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.363 -0.836 . . . . 0.0 110.14 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -61.38 -41.53 97.24 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.135 -0.978 . . . . 0.0 109.902 -179.41 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.47 ' O ' ' OD1' ' A' ' 27' ' ' ASN . 96.7 m-85 -110.25 5.67 21.94 Favored 'General case' 0 N--CA 1.502 2.169 0 O-C-N 121.432 -0.793 . . . . 0.0 110.044 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.562 ' ND2' ' O ' ' A' ' 27' ' ' ASN . 1.9 p-10 49.63 42.84 23.82 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.574 -0.704 . . . . 0.0 110.843 179.719 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 79.5 mt -106.83 146.38 32.99 Favored Pre-proline 0 N--CA 1.503 2.193 0 O-C-N 120.912 -1.117 . . . . 0.0 109.205 179.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_exo -47.42 144.98 9.17 Favored 'Trans proline' 0 N--CA 1.493 1.444 0 C-N-CA 121.416 1.411 . . . . 0.0 111.08 178.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_exo -43.45 -33.83 4.54 Favored 'Trans proline' 0 C--N 1.315 -1.209 0 C-N-CA 121.865 1.71 . . . . 0.0 111.575 179.53 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 53.1 t -51.2 -51.83 21.2 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.615 0 O-C-N 121.764 -0.585 . . . . 0.0 110.628 -178.279 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 93.1 t -64.5 -49.25 81.51 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.801 0 C-N-CA 118.939 -1.104 . . . . 0.0 109.315 -178.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.86 -45.8 87.81 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.571 -0.706 . . . . 0.0 109.717 179.718 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.3 mtpm? -61.24 -36.21 79.35 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.066 -1.021 . . . . 0.0 109.882 179.579 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -62.09 -38.61 89.51 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.111 -0.993 . . . . 0.0 110.392 -179.446 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 66.3 mt -60.44 -39.24 80.49 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 120.817 -1.177 . . . . 0.0 108.666 -179.649 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 71.7 t -61.74 -39.09 82.06 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.546 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 178.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.55 -33.42 72.64 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 179.087 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 21.8 m -76.03 -29.82 58.22 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.319 -0.863 . . . . 0.0 109.749 -179.652 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 43.1 t -82.33 101.66 10.72 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.339 -0.85 . . . . 0.0 109.548 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -60.93 -29.97 69.93 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.427 -0.796 . . . . 0.0 110.151 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -69.19 -41.15 77.54 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.075 -1.015 . . . . 0.0 110.348 -178.752 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 57.8 m -82.27 -30.0 30.91 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.937 -1.102 . . . . 0.0 109.574 179.569 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.532 HE21 ' CG ' ' B' ' 44' ' ' GLN . 39.4 tt0 -73.79 -70.07 0.4 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.092 -1.005 . . . . 0.0 108.917 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 62.3 mt -80.97 110.41 16.48 Favored 'General case' 0 N--CA 1.485 1.321 0 O-C-N 121.105 -0.997 . . . . 0.0 108.443 178.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 31.1 ttmt -89.95 -2.26 58.13 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.543 -0.723 . . . . 0.0 109.184 -179.556 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.493 ' C ' ' H ' ' A' ' 49' ' ' ALA . . . 88.4 -123.53 6.79 Favored Glycine 0 N--CA 1.497 2.728 0 N-CA-C 109.829 -1.308 . . . . 0.0 109.829 179.495 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 55.31 4.02 0.08 Allowed 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.39 -1.064 . . . . 0.0 110.558 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.493 ' H ' ' C ' ' A' ' 47' ' ' GLY . . . -85.4 124.52 32.1 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.031 -1.043 . . . . 0.0 109.263 179.811 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 22.2 ttt -173.51 139.12 0.72 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.511 -0.743 . . . . 0.0 109.138 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 54.8 t-80 -95.92 115.17 27.02 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.175 -0.953 . . . . 0.0 109.752 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -88.78 -164.66 40.54 Favored Glycine 0 N--CA 1.494 2.525 0 N-CA-C 109.342 -1.503 . . . . 0.0 109.342 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 27.2 mm100 56.54 39.97 29.67 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.382 -1.069 . . . . 0.0 110.195 179.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 31.1 m 41.84 -154.69 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.965 0 O-C-N 121.51 -0.744 . . . . 0.0 110.599 179.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 41.8 p-10 . . . . . 0 N--CA 1.496 1.837 0 CA-C-O 118.08 -0.962 . . . . 0.0 109.271 179.757 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . 0.532 ' CE2' ' CE2' ' A' ' 1' ' ' PHE . 65.2 m-85 . . . . . 0 N--CA 1.492 1.625 0 CA-C-O 121.572 0.701 . . . . 0.0 109.61 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 42.1 mt -73.41 -40.48 64.24 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.617 -0.677 . . . . 0.0 111.193 -178.149 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 62.6 t0 -64.35 -53.4 49.25 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.964 -1.085 . . . . 0.0 110.563 -179.071 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.28 -45.05 96.82 Favored Glycine 0 N--CA 1.493 2.436 0 N-CA-C 110.303 -1.119 . . . . 0.0 110.303 -179.219 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 72.8 mt -59.91 -38.3 75.79 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 121.297 -1.119 . . . . 0.0 110.402 -179.398 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -56.2 -44.95 79.97 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 120.743 -1.223 . . . . 0.0 109.332 -179.045 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -70.47 -42.96 70.73 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 120.956 -1.09 . . . . 0.0 109.253 179.415 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.8 -35.44 80.08 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.285 -0.884 . . . . 0.0 109.45 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -57.91 -41.13 81.98 Favored 'General case' 0 C--N 1.303 -1.45 0 C-N-CA 119.221 -0.992 . . . . 0.0 109.565 -179.193 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -62.87 -40.94 99.03 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.954 -1.091 . . . . 0.0 108.944 179.088 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -60.43 -39.98 89.44 Favored 'General case' 0 N--CA 1.49 1.553 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 178.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . 0.562 ' O ' ' N ' ' B' ' 16' ' ' HIS . 13.7 t60 -61.85 -48.07 82.21 Favored 'General case' 0 C--N 1.306 -1.285 0 O-C-N 121.451 -0.78 . . . . 0.0 110.113 179.633 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 35.0 tp10 -59.75 -41.73 91.62 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 120.973 -1.079 . . . . 0.0 110.209 -179.154 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 55.1 mtpt -60.8 -33.09 72.47 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.534 -0.729 . . . . 0.0 112.5 -178.432 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -138.9 -4.49 1.55 Allowed 'General case' 0 N--CA 1.508 2.44 0 O-C-N 120.708 -1.245 . . . . 0.0 112.63 -176.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.562 ' N ' ' O ' ' B' ' 12' ' ' HIS . 90.7 m-70 53.77 42.13 31.87 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.436 -1.415 . . . . 0.0 107.316 -177.298 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 91.8 p -63.25 156.45 25.46 Favored 'General case' 0 C--N 1.305 -1.356 0 CA-C-O 121.428 0.632 . . . . 0.0 110.56 -178.486 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -73.08 156.45 38.71 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.445 -0.784 . . . . 0.0 109.489 179.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 36.5 p-90 -54.33 -30.11 50.27 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.25 -0.906 . . . . 0.0 110.258 -179.407 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 59.4 mtp180 -61.3 -40.71 95.18 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.026 -1.046 . . . . 0.0 109.491 -179.65 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.71 -50.03 54.1 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.455 -0.778 . . . . 0.0 109.709 -179.464 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 78.8 mtm -60.81 -40.11 91.49 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.197 -0.939 . . . . 0.0 109.571 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . 0.504 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -59.91 -47.09 87.18 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.062 -1.024 . . . . 0.0 109.117 179.749 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 54.9 m -70.16 -36.48 74.73 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.366 -0.834 . . . . 0.0 110.282 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -60.67 -40.39 91.95 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.253 -0.904 . . . . 0.0 109.905 -179.046 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . 0.461 ' O ' ' OD1' ' B' ' 27' ' ' ASN . 96.7 m-85 -111.42 5.96 19.98 Favored 'General case' 0 N--CA 1.502 2.136 0 O-C-N 121.48 -0.763 . . . . 0.0 110.109 179.789 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . 0.589 ' ND2' ' O ' ' B' ' 27' ' ' ASN . 1.6 p-10 50.35 41.83 25.17 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.347 -0.846 . . . . 0.0 111.088 179.461 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 83.4 mt -106.47 147.79 35.58 Favored Pre-proline 0 N--CA 1.506 2.366 0 O-C-N 120.725 -1.234 . . . . 0.0 109.287 179.234 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -48.29 146.48 9.86 Favored 'Trans proline' 0 N--CA 1.491 1.341 0 C-N-CA 121.259 1.306 . . . . 0.0 111.184 178.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_exo -44.22 -34.24 6.76 Favored 'Trans proline' 0 C--N 1.31 -1.452 0 C-N-CA 121.884 1.722 . . . . 0.0 111.626 179.208 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 47.5 t -51.53 -51.36 25.96 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.624 -0.673 . . . . 0.0 110.701 -178.462 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 98.0 t -64.59 -49.09 82.07 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.736 0 C-N-CA 118.624 -1.23 . . . . 0.0 109.383 -179.057 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.37 -45.72 86.53 Favored 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 119.881 -0.728 . . . . 0.0 109.837 179.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 10.1 mtpm? -61.32 -36.69 80.83 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.862 -1.149 . . . . 0.0 109.708 179.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.3 tm-20 -61.12 -39.16 88.96 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.159 -0.963 . . . . 0.0 110.228 -179.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 67.3 mt -59.69 -40.47 82.4 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 120.912 -1.117 . . . . 0.0 108.718 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 69.0 t -60.45 -39.33 80.8 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.417 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 178.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . 0.538 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -61.26 -30.71 70.62 Favored 'General case' 0 N--CA 1.488 1.447 0 CA-C-O 121.705 0.764 . . . . 0.0 109.381 179.077 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 31.7 m -78.71 -29.67 45.54 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.212 -0.93 . . . . 0.0 109.594 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 41.0 t -83.03 101.65 11.25 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.24 -0.912 . . . . 0.0 109.249 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -60.77 -30.27 69.92 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.446 -0.784 . . . . 0.0 110.067 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 87.6 mttt -68.24 -41.41 81.23 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.084 -1.01 . . . . 0.0 110.234 -178.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 58.5 m -82.38 -29.72 30.71 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.939 -1.101 . . . . 0.0 109.63 179.531 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . 0.538 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 11.6 tt0 -73.86 -69.91 0.41 Allowed 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.191 -0.943 . . . . 0.0 108.817 -179.705 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 65.8 mt -81.52 110.05 16.55 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.094 -1.004 . . . . 0.0 108.651 179.091 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 30.1 ttmt -89.13 -3.64 58.57 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.459 -0.775 . . . . 0.0 109.234 -179.646 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . 0.519 ' C ' ' H ' ' B' ' 49' ' ' ALA . . . 88.86 -121.86 6.18 Favored Glycine 0 N--CA 1.497 2.745 0 N-CA-C 110.354 -1.099 . . . . 0.0 110.354 179.539 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 91.5 mt-10 54.19 3.93 0.05 Allowed 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.529 -0.983 . . . . 0.0 110.426 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . 0.519 ' H ' ' C ' ' B' ' 47' ' ' GLY . . . -84.42 124.66 31.57 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.047 -1.033 . . . . 0.0 109.453 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 22.8 ttt -173.62 138.73 0.68 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.339 -0.851 . . . . 0.0 109.224 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 56.4 t-80 -95.09 114.59 26.41 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.191 -0.943 . . . . 0.0 109.613 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -88.78 -163.79 39.72 Favored Glycine 0 N--CA 1.494 2.503 0 N-CA-C 109.35 -1.5 . . . . 0.0 109.35 179.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 27.2 mm100 55.4 40.07 31.29 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.518 -0.99 . . . . 0.0 110.258 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 32.6 m 41.71 -155.73 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.499 2.023 0 O-C-N 121.566 -0.709 . . . . 0.0 110.499 179.559 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 42.2 p-10 . . . . . 0 N--CA 1.494 1.76 0 CA-C-O 118.01 -0.995 . . . . 0.0 109.436 179.907 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 . . . . . 0 N--CA 1.49 1.559 0 CA-C-O 121.532 0.682 . . . . 0.0 109.407 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 23.1 mt -73.69 -40.07 63.9 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.349 -0.845 . . . . 0.0 111.369 -178.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -63.95 -46.16 85.93 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 120.857 -1.152 . . . . 0.0 110.949 -178.266 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.16 -47.57 52.21 Favored Glycine 0 N--CA 1.491 2.366 0 N-CA-C 109.478 -1.449 . . . . 0.0 109.478 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.413 ' O ' ' N ' ' A' ' 9' ' ' GLN . 91.2 mt -59.36 -39.21 78.45 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.34 -1.094 . . . . 0.0 110.223 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -53.15 -49.46 66.56 Favored 'General case' 0 N--CA 1.485 1.318 0 O-C-N 120.866 -1.146 . . . . 0.0 109.119 -178.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -69.13 -39.83 78.62 Favored 'General case' 0 N--CA 1.493 1.682 0 C-N-CA 118.975 -1.09 . . . . 0.0 109.175 178.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.29 -38.95 88.96 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.538 -0.726 . . . . 0.0 109.861 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.413 ' N ' ' O ' ' A' ' 5' ' ' ILE . 57.5 tt0 -58.08 -40.43 81.07 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.347 -0.846 . . . . 0.0 109.15 -179.314 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 35.0 tp10 -60.84 -41.84 96.6 Favored 'General case' 0 N--CA 1.485 1.289 0 O-C-N 120.891 -1.131 . . . . 0.0 108.226 179.376 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 20.9 tp10 -61.61 -39.89 92.87 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.242 -0.912 . . . . 0.0 109.033 178.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.563 ' O ' ' N ' ' A' ' 16' ' ' HIS . 13.9 t60 -61.06 -47.27 87.13 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.48 -0.763 . . . . 0.0 109.886 179.482 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 78.0 tt0 -60.45 -41.97 95.18 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.13 -0.981 . . . . 0.0 110.752 -179.187 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -62.49 -30.24 71.12 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.463 -0.773 . . . . 0.0 112.833 -177.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -140.98 -3.64 1.23 Allowed 'General case' 0 N--CA 1.503 2.192 0 O-C-N 120.769 -1.207 . . . . 0.0 112.06 -177.424 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.563 ' N ' ' O ' ' A' ' 12' ' ' HIS . 84.3 m-70 54.2 41.73 31.86 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 107.314 -1.365 . . . . 0.0 107.314 -177.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 91.2 p -62.16 155.38 24.59 Favored 'General case' 0 N--CA 1.488 1.44 0 CA-C-O 121.333 0.587 . . . . 0.0 110.23 -179.123 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 -74.72 162.62 28.54 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.276 -0.89 . . . . 0.0 109.617 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 34.6 p-90 -58.8 -30.44 67.61 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.943 -1.098 . . . . 0.0 110.329 -179.5 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 56.1 mtp180 -62.91 -39.62 95.1 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.11 -0.993 . . . . 0.0 109.765 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.67 -49.16 56.25 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.162 -0.961 . . . . 0.0 109.119 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 78.0 mtm -60.77 -39.95 90.73 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.118 -0.989 . . . . 0.0 109.721 179.524 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.49 -48.56 80.4 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 120.936 -1.103 . . . . 0.0 109.1 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 13.8 m -70.4 -33.92 71.94 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.453 -0.78 . . . . 0.0 110.363 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 52.9 t0 -63.03 -43.4 98.8 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.35 -0.844 . . . . 0.0 110.808 -178.577 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -108.16 -0.25 21.14 Favored 'General case' 0 N--CA 1.503 2.202 0 O-C-N 121.179 -0.951 . . . . 0.0 110.419 -179.551 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 12.4 m120 59.02 49.86 8.97 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.349 -0.845 . . . . 0.0 109.593 179.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 63.7 mt -115.63 152.23 47.02 Favored Pre-proline 0 N--CA 1.504 2.247 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 14.8 Cg_endo -58.49 160.84 15.83 Favored 'Trans proline' 0 C--N 1.316 -1.158 0 C-N-CA 121.163 1.242 . . . . 0.0 110.666 179.028 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_endo -56.1 -33.35 89.76 Favored 'Trans proline' 0 C--N 1.304 -1.798 0 C-N-CA 122.514 2.143 . . . . 0.0 111.864 -179.226 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 68.1 t -56.91 -48.69 81.02 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.155 -0.966 . . . . 0.0 110.099 -179.118 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 50.5 t -66.49 -47.95 82.14 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.783 0 C-N-CA 118.379 -1.328 . . . . 0.0 109.306 -178.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.52 -45.18 80.34 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.191 -0.943 . . . . 0.0 109.906 179.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.2 mtpm? -62.11 -36.57 82.15 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.998 -1.064 . . . . 0.0 110.371 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.7 tm-20 -60.83 -39.05 87.61 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.846 -1.159 . . . . 0.0 109.753 -179.097 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 60.0 mt -60.06 -40.23 82.66 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.418 0 O-C-N 121.034 -1.041 . . . . 0.0 109.13 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 75.6 t -62.76 -39.59 85.43 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.37 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 179.157 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.31 -32.9 71.66 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.386 -0.821 . . . . 0.0 109.295 179.19 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.8 m -76.7 -30.83 56.86 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.041 -1.037 . . . . 0.0 109.509 -179.628 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 36.8 t -80.36 103.06 9.98 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.155 -0.966 . . . . 0.0 108.835 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -60.4 -29.51 69.01 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.293 -0.879 . . . . 0.0 109.969 -179.31 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -70.05 -40.08 75.32 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.262 -0.899 . . . . 0.0 110.606 -178.476 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 82.3 m -87.7 -16.41 34.38 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.988 -1.07 . . . . 0.0 109.9 179.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 -71.58 -70.54 0.32 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.392 -0.818 . . . . 0.0 109.265 -178.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 50.0 mt -79.65 109.58 14.18 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.122 -0.986 . . . . 0.0 108.511 179.008 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 60.5 tttm -89.88 -72.6 0.55 Allowed 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.749 -1.219 . . . . 0.0 110.136 -179.569 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -137.66 -29.72 0.27 Allowed Glycine 0 N--CA 1.496 2.682 0 N-CA-C 110.015 -1.234 . . . . 0.0 110.015 -179.489 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -63.55 135.4 56.8 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.254 -1.144 . . . . 0.0 108.951 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.417 ' HB2' ' H ' ' B' ' 50' ' ' MET . . . -173.48 176.1 2.88 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.102 -0.999 . . . . 0.0 109.203 179.701 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.415 ' O ' ' O ' ' B' ' 50' ' ' MET . 3.0 tpt -73.58 134.95 43.85 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.537 -0.727 . . . . 0.0 109.156 179.689 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 52.1 m80 -141.9 161.34 38.22 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.34 -0.85 . . . . 0.0 109.452 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -164.64 114.12 0.58 Allowed Glycine 0 N--CA 1.49 2.263 0 N-CA-C 108.591 -1.804 . . . . 0.0 108.591 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.541 ' O ' ' NE2' ' A' ' 53' ' ' GLN . 1.3 tm0? -96.9 92.08 5.94 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.185 -1.185 . . . . 0.0 110.021 -179.347 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.471 ' O ' ' O ' ' A' ' 53' ' ' GLN . 59.8 t 52.13 169.87 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 121.421 -0.799 . . . . 0.0 110.365 178.816 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.409 ' N ' ' CG1' ' A' ' 54' ' ' VAL . 62.9 t0 . . . . . 0 N--CA 1.497 1.907 0 O-C-N 120.841 -1.162 . . . . 0.0 109.451 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 . . . . . 0 N--CA 1.492 1.642 0 CA-C-O 121.454 0.645 . . . . 0.0 109.619 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 24.4 mt -72.95 -40.11 65.64 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.27 -0.894 . . . . 0.0 111.373 -178.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -63.69 -45.7 88.86 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.906 -1.122 . . . . 0.0 110.959 -178.43 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.24 -47.59 51.46 Favored Glycine 0 N--CA 1.493 2.498 0 N-CA-C 109.54 -1.424 . . . . 0.0 109.54 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . 0.408 ' O ' ' N ' ' B' ' 9' ' ' GLN . 90.3 mt -59.72 -38.5 76.19 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.554 0 O-C-N 121.376 -1.073 . . . . 0.0 110.266 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 48.5 t0 -54.4 -49.77 69.15 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 120.847 -1.158 . . . . 0.0 108.896 -178.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -68.54 -40.27 80.76 Favored 'General case' 0 N--CA 1.49 1.542 0 C-N-CA 119.254 -0.978 . . . . 0.0 109.298 178.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.14 -38.13 87.39 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.426 -0.796 . . . . 0.0 109.672 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . 0.408 ' N ' ' O ' ' B' ' 5' ' ' ILE . 57.7 tt0 -58.61 -40.04 82.15 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.102 -0.999 . . . . 0.0 109.198 -179.263 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 34.0 tp10 -60.95 -42.7 98.74 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 120.865 -1.147 . . . . 0.0 108.599 178.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 20.1 tp10 -60.75 -40.35 92.1 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.346 -0.847 . . . . 0.0 108.973 178.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . 0.569 ' O ' ' N ' ' B' ' 16' ' ' HIS . 13.2 t60 -60.59 -47.77 84.75 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.215 -0.928 . . . . 0.0 109.989 179.69 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 77.2 tt0 -60.09 -42.41 94.59 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.19 -0.943 . . . . 0.0 110.682 -179.225 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 56.0 mtpt -61.97 -30.7 71.1 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 121.354 -0.841 . . . . 0.0 112.765 -178.222 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -140.77 -4.15 1.24 Allowed 'General case' 0 N--CA 1.503 2.192 0 O-C-N 120.466 -1.396 . . . . 0.0 111.85 -177.172 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.569 ' N ' ' O ' ' B' ' 12' ' ' HIS . 85.1 m-70 54.8 42.01 31.48 Favored 'General case' 0 N--CA 1.496 1.874 0 N-CA-C 107.426 -1.324 . . . . 0.0 107.426 -177.562 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 99.0 p -62.38 155.97 23.76 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.489 -0.757 . . . . 0.0 110.0 -178.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -75.15 162.63 28.33 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.106 -0.996 . . . . 0.0 109.612 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 34.5 p-90 -58.48 -30.7 67.19 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.024 -1.048 . . . . 0.0 110.083 -179.508 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 56.3 mtp180 -62.59 -40.28 96.4 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.954 -1.091 . . . . 0.0 109.743 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.38 -48.13 62.11 Favored 'General case' 0 C--N 1.298 -1.638 0 C-N-CA 119.502 -0.879 . . . . 0.0 109.286 -179.672 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 78.0 mtm -61.97 -39.94 93.86 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.283 -0.886 . . . . 0.0 109.909 179.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.38 -48.59 80.13 Favored 'General case' 0 C--N 1.3 -1.582 0 C-N-CA 119.345 -0.942 . . . . 0.0 108.696 179.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 14.4 m -70.57 -33.52 71.19 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.379 -0.826 . . . . 0.0 110.438 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 51.1 t0 -63.21 -43.94 96.72 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.961 -1.087 . . . . 0.0 110.679 -178.585 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -107.63 0.58 22.61 Favored 'General case' 0 N--CA 1.502 2.166 0 O-C-N 121.235 -0.915 . . . . 0.0 110.373 -179.539 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 13.6 m120 58.33 49.81 10.47 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.372 -0.83 . . . . 0.0 109.619 179.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 66.3 mt -115.0 151.97 46.09 Favored Pre-proline 0 N--CA 1.503 2.217 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 179.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -58.71 160.54 17.34 Favored 'Trans proline' 0 N--CA 1.489 1.227 0 C-N-CA 121.43 1.42 . . . . 0.0 110.515 179.085 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -55.9 -32.67 86.23 Favored 'Trans proline' 0 C--N 1.307 -1.653 0 C-N-CA 122.538 2.159 . . . . 0.0 112.038 -179.252 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 72.7 t -57.89 -48.81 83.03 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.643 0 O-C-N 121.257 -0.902 . . . . 0.0 110.184 -179.032 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 56.4 t -66.43 -47.49 83.71 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.887 0 C-N-CA 118.155 -1.418 . . . . 0.0 109.328 -178.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.55 -44.81 81.36 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.166 -0.958 . . . . 0.0 110.048 179.476 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 10.3 mtpm? -62.64 -36.9 84.3 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.851 -1.156 . . . . 0.0 110.243 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.2 tm-20 -60.12 -39.54 86.62 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.998 -1.064 . . . . 0.0 110.096 -179.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 59.8 mt -59.99 -40.41 83.0 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 120.991 -1.068 . . . . 0.0 108.815 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 76.0 t -62.03 -40.28 86.79 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.501 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 179.069 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . 0.522 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -59.61 -33.27 71.26 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.574 -0.704 . . . . 0.0 109.561 179.438 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 61.5 m -76.43 -30.67 57.48 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.378 -0.826 . . . . 0.0 109.927 -179.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 38.1 t -80.6 102.95 10.12 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.181 -0.949 . . . . 0.0 109.096 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -60.15 -29.69 68.82 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.196 -0.94 . . . . 0.0 110.154 -179.666 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -70.12 -39.87 75.19 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.29 -0.881 . . . . 0.0 110.453 -178.297 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 84.5 m -87.82 -16.06 35.13 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 120.868 -1.145 . . . . 0.0 109.851 179.496 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . 0.522 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 31.3 tt0 -72.16 -71.06 0.3 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.178 -0.951 . . . . 0.0 109.1 -178.808 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 48.1 mt -79.72 109.8 14.47 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.004 -1.06 . . . . 0.0 108.34 179.12 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 59.7 tttm -89.9 -73.24 0.53 Allowed 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.174 -0.953 . . . . 0.0 110.076 -179.482 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -137.31 -30.44 0.26 Allowed Glycine 0 N--CA 1.497 2.714 0 N-CA-C 109.583 -1.407 . . . . 0.0 109.583 -179.263 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -62.74 135.88 57.58 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.176 -1.19 . . . . 0.0 109.035 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -173.33 176.61 2.83 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.12 -0.988 . . . . 0.0 109.521 179.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 50' ' ' MET . . . . . 0.417 ' H ' ' HB2' ' A' ' 49' ' ' ALA . 3.0 tpt -74.5 134.49 42.25 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.199 -0.938 . . . . 0.0 109.05 179.126 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 54.2 m80 -141.84 162.0 36.56 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.222 -0.924 . . . . 0.0 109.46 179.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -165.09 114.93 0.62 Allowed Glycine 0 N--CA 1.495 2.582 0 N-CA-C 108.6 -1.8 . . . . 0.0 108.6 179.596 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . 0.537 ' NE2' ' O ' ' B' ' 53' ' ' GLN . 1.3 tm0? -96.99 91.94 5.84 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.029 -1.277 . . . . 0.0 109.917 -178.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.476 ' O ' ' O ' ' B' ' 53' ' ' GLN . 66.4 t 52.13 169.27 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.904 0 O-C-N 121.317 -0.865 . . . . 0.0 110.189 179.001 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . 0.432 ' N ' ' CG1' ' B' ' 54' ' ' VAL . 66.2 t0 . . . . . 0 N--CA 1.496 1.839 0 O-C-N 120.92 -1.112 . . . . 0.0 109.521 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 76.6 m-85 . . . . . 0 N--CA 1.492 1.64 0 CA-C-O 121.268 0.556 . . . . 0.0 109.721 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 29.3 mt -70.98 -43.58 67.75 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.307 -0.87 . . . . 0.0 110.644 -178.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -62.94 -44.9 94.81 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.219 -0.926 . . . . 0.0 110.19 -179.017 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.3 -49.79 54.79 Favored Glycine 0 N--CA 1.495 2.599 0 N-CA-C 109.951 -1.26 . . . . 0.0 109.951 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.4 ' O ' ' N ' ' A' ' 9' ' ' GLN . 93.6 mt -59.46 -39.11 78.34 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.608 0 O-C-N 121.275 -1.132 . . . . 0.0 110.108 -179.79 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -53.82 -42.11 68.06 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 120.659 -1.276 . . . . 0.0 108.866 -179.434 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 9.6 mtmp? -69.99 -45.34 67.52 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.14 -0.975 . . . . 0.0 109.494 178.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.96 -36.62 82.6 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.529 -0.732 . . . . 0.0 109.613 179.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.4 ' N ' ' O ' ' A' ' 5' ' ' ILE . 1.0 OUTLIER -56.47 -39.96 74.08 Favored 'General case' 0 C--N 1.302 -1.466 0 C-N-CA 119.228 -0.989 . . . . 0.0 108.899 -179.498 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -62.64 -43.21 99.39 Favored 'General case' 0 C--N 1.304 -1.411 0 C-N-CA 118.941 -1.104 . . . . 0.0 109.27 179.53 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 23.6 tp10 -60.98 -40.3 92.93 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.042 -1.036 . . . . 0.0 108.638 179.362 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.508 ' O ' ' N ' ' A' ' 16' ' ' HIS . 13.2 t60 -61.47 -47.0 87.68 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.21 -0.931 . . . . 0.0 110.301 179.217 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.4 tp10 -59.58 -41.03 89.29 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.0 -1.063 . . . . 0.0 110.283 -178.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt -63.37 -31.82 73.09 Favored 'General case' 0 N--CA 1.497 1.914 0 N-CA-C 113.112 0.782 . . . . 0.0 113.112 -178.564 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -140.11 -2.13 1.5 Allowed 'General case' 0 N--CA 1.51 2.549 0 O-C-N 120.527 -1.358 . . . . 0.0 112.237 -177.171 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.508 ' N ' ' O ' ' A' ' 12' ' ' HIS . 88.3 m-70 53.22 45.12 29.22 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.445 -1.409 . . . . 0.0 107.487 -177.704 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 90.1 p -67.01 153.17 44.32 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.482 -0.761 . . . . 0.0 109.879 -178.615 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -71.78 160.34 32.77 Favored 'General case' 0 C--N 1.304 -1.385 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 179.593 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 41.6 p-90 -57.53 -29.5 64.41 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 121.267 -0.896 . . . . 0.0 110.531 -179.254 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -62.05 -40.94 97.48 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.163 -0.961 . . . . 0.0 109.907 -179.447 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.04 -49.31 62.21 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.471 -0.768 . . . . 0.0 110.0 -179.359 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 78.7 mtm -61.61 -39.94 93.05 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 120.937 -1.102 . . . . 0.0 109.473 179.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.481 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -54.42 -47.86 72.32 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.13 -0.981 . . . . 0.0 108.722 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 8.3 t -70.24 -36.97 74.86 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.359 -0.838 . . . . 0.0 110.391 179.449 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 61.6 t0 -60.72 -41.12 94.66 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.05 -1.031 . . . . 0.0 110.755 -178.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -110.62 0.5 17.58 Favored 'General case' 0 N--CA 1.503 2.18 0 O-C-N 121.33 -0.856 . . . . 0.0 109.611 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.481 ' N ' ' O ' ' A' ' 23' ' ' ALA . 65.4 t30 57.13 48.3 15.64 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.407 -0.808 . . . . 0.0 110.008 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 58.4 mt -114.76 152.88 46.78 Favored Pre-proline 0 N--CA 1.501 2.09 0 O-C-N 121.301 -0.874 . . . . 0.0 109.035 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -60.85 148.77 91.22 Favored 'Trans proline' 0 C--N 1.313 -1.307 0 C-N-CA 121.747 1.631 . . . . 0.0 111.422 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.459 ' O ' ' N ' ' A' ' 34' ' ' LYS . 38.8 Cg_exo -44.71 -33.59 7.21 Favored 'Trans proline' 0 C--N 1.311 -1.435 0 C-N-CA 121.7 1.6 . . . . 0.0 111.338 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 16.2 t -52.47 -52.2 27.85 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.675 0 O-C-N 121.291 -0.881 . . . . 0.0 110.579 -178.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 58.1 t -67.64 -48.07 77.76 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.713 0 C-N-CA 118.6 -1.24 . . . . 0.0 109.339 -178.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.51 -42.25 95.91 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.281 -0.887 . . . . 0.0 110.037 179.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.459 ' N ' ' O ' ' A' ' 30' ' ' PRO . 55.9 mtpt -62.78 -35.96 81.55 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.704 -1.248 . . . . 0.0 110.55 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.6 tm-20 -60.49 -38.41 84.22 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 120.961 -1.087 . . . . 0.0 109.792 -179.381 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 34.9 mt -60.3 -40.22 83.2 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.414 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 74.5 t -64.75 -40.15 88.1 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.443 0 O-C-N 121.214 -0.929 . . . . 0.0 109.086 179.336 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.67 -30.58 70.83 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.173 -0.954 . . . . 0.0 108.788 179.027 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 55.1 m -78.43 -30.68 47.74 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.502 -0.749 . . . . 0.0 109.949 179.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 30.4 t -81.11 104.04 11.33 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 120.963 -1.086 . . . . 0.0 109.198 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -60.11 -30.54 69.34 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.693 -0.629 . . . . 0.0 110.899 -179.236 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 63.6 mttm -71.37 -40.06 70.86 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.229 -0.919 . . . . 0.0 110.698 -178.572 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 68.7 m -84.03 -23.02 31.09 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.96 -1.088 . . . . 0.0 109.615 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 44.6 tt0 -78.57 -71.08 0.45 Allowed 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.281 -0.887 . . . . 0.0 109.493 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 27.2 mt -86.36 87.57 7.46 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.118 -0.988 . . . . 0.0 109.079 179.305 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 54.3 pttt -95.36 -12.47 26.01 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.493 -0.754 . . . . 0.0 109.238 179.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -80.06 171.62 54.44 Favored Glycine 0 N--CA 1.489 2.23 0 N-CA-C 110.049 -1.221 . . . . 0.0 110.049 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -90.94 121.7 33.0 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.455 -1.027 . . . . 0.0 109.008 179.4 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -87.76 158.01 18.89 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.127 -0.983 . . . . 0.0 109.573 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 81.5 mtp 51.78 74.06 0.28 Allowed 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.411 -0.806 . . . . 0.0 109.774 179.428 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.803 ' H ' ' H ' ' B' ' 51' ' ' HIS . 17.0 t-160 -143.96 -173.91 4.12 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.52 -0.738 . . . . 0.0 110.026 -179.196 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.646 ' H ' ' CD2' ' A' ' 51' ' ' HIS . . . 84.45 50.67 4.17 Favored Glycine 0 N--CA 1.498 2.782 0 N-CA-C 109.928 -1.269 . . . . 0.0 109.928 179.786 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -83.02 136.16 34.6 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.087 -1.243 . . . . 0.0 110.317 -179.175 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.3 t 59.55 156.64 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.651 -0.656 . . . . 0.0 109.462 -179.628 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.426 ' N ' ' OD1' ' A' ' 55' ' ' ASP . 32.8 p-10 . . . . . 0 N--CA 1.491 1.595 0 CA-C-O 118.036 -0.983 . . . . 0.0 109.114 179.578 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 . . . . . 0 N--CA 1.491 1.593 0 CA-C-O 121.198 0.523 . . . . 0.0 109.776 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 30.5 mt -71.44 -43.83 65.95 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.104 -0.998 . . . . 0.0 110.447 -179.174 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -62.59 -44.08 97.21 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.251 -0.906 . . . . 0.0 110.556 -178.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.35 -48.42 51.94 Favored Glycine 0 N--CA 1.496 2.642 0 N-CA-C 109.665 -1.374 . . . . 0.0 109.665 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 95.3 mt -59.84 -38.44 76.22 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.486 0 O-C-N 121.187 -1.184 . . . . 0.0 110.233 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -55.08 -42.24 72.57 Favored 'General case' 0 C--N 1.3 -1.582 0 C-N-CA 118.756 -1.177 . . . . 0.0 109.094 -179.022 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 9.4 mtmp? -69.73 -44.98 69.19 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.27 -0.894 . . . . 0.0 109.484 178.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.55 -35.41 78.99 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.669 -0.645 . . . . 0.0 109.551 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -57.9 -39.87 78.94 Favored 'General case' 0 C--N 1.303 -1.416 0 C-N-CA 119.37 -0.932 . . . . 0.0 108.964 -179.491 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -62.43 -42.01 99.13 Favored 'General case' 0 C--N 1.305 -1.338 0 C-N-CA 118.965 -1.094 . . . . 0.0 109.106 179.29 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 28.1 tp10 -61.69 -41.11 97.14 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.139 -0.976 . . . . 0.0 108.69 179.205 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . 0.528 ' O ' ' N ' ' B' ' 16' ' ' HIS . 13.7 t60 -60.79 -46.64 89.71 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.251 -0.906 . . . . 0.0 110.137 179.369 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 50.4 tp10 -59.55 -41.06 89.24 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.089 -1.007 . . . . 0.0 110.136 -179.09 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -63.58 -31.97 73.3 Favored 'General case' 0 N--CA 1.493 1.694 0 N-CA-C 113.021 0.748 . . . . 0.0 113.021 -178.388 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -139.92 -2.1 1.54 Allowed 'General case' 0 N--CA 1.509 2.492 0 O-C-N 120.452 -1.405 . . . . 0.0 112.255 -177.288 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.528 ' N ' ' O ' ' B' ' 12' ' ' HIS . 85.3 m-70 53.9 42.36 31.73 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.468 -1.395 . . . . 0.0 107.395 -177.83 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 93.3 p -64.75 153.28 40.29 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.548 -0.72 . . . . 0.0 110.045 -178.675 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -71.63 160.11 33.23 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.499 -0.75 . . . . 0.0 109.043 179.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 41.7 p-90 -57.64 -29.51 64.64 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.377 -0.827 . . . . 0.0 110.395 -179.277 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -62.06 -41.52 98.24 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.172 -0.955 . . . . 0.0 109.751 -179.629 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.56 -50.05 60.37 Favored 'General case' 0 C--N 1.298 -1.647 0 O-C-N 121.454 -0.779 . . . . 0.0 109.814 -179.202 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 78.8 mtm -60.95 -39.88 91.18 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.084 -1.01 . . . . 0.0 109.508 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . 0.474 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -54.83 -48.45 72.83 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.058 -1.026 . . . . 0.0 108.775 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 8.1 t -70.23 -35.84 74.12 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.368 -0.833 . . . . 0.0 110.398 179.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -60.47 -42.51 96.4 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.243 -0.911 . . . . 0.0 110.375 -179.166 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -109.94 1.65 19.24 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.507 -0.746 . . . . 0.0 109.818 -179.64 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . 0.474 ' N ' ' O ' ' B' ' 23' ' ' ALA . 66.5 t30 56.87 46.39 19.8 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.431 -0.793 . . . . 0.0 110.179 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 61.4 mt -112.74 153.1 45.18 Favored Pre-proline 0 N--CA 1.503 2.177 0 O-C-N 121.176 -0.953 . . . . 0.0 109.189 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -61.07 149.71 87.79 Favored 'Trans proline' 0 N--CA 1.49 1.309 0 C-N-CA 121.594 1.529 . . . . 0.0 111.504 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . 0.488 ' O ' ' N ' ' B' ' 34' ' ' LYS . 37.4 Cg_exo -44.98 -34.45 8.91 Favored 'Trans proline' 0 C--N 1.314 -1.246 0 C-N-CA 121.686 1.591 . . . . 0.0 111.628 179.615 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 14.1 t -51.84 -52.09 24.49 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.389 -0.819 . . . . 0.0 110.681 -178.614 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 59.9 t -67.49 -48.68 76.26 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.733 0 C-N-CA 118.861 -1.136 . . . . 0.0 109.461 -178.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.58 -42.4 95.65 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.336 -0.853 . . . . 0.0 110.168 179.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.488 ' N ' ' O ' ' B' ' 30' ' ' PRO . 57.6 mtpt -62.95 -34.28 77.15 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 120.863 -1.148 . . . . 0.0 110.765 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.3 tm-20 -61.14 -39.81 91.47 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.043 -1.035 . . . . 0.0 109.569 -179.514 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 32.5 mt -59.72 -40.55 82.72 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.393 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 -179.318 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 69.6 t -64.53 -40.15 88.07 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.559 0 O-C-N 121.342 -0.849 . . . . 0.0 108.885 179.342 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . 0.467 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -61.99 -30.76 71.16 Favored 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 179.013 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 66.6 m -78.25 -30.76 48.82 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.543 -0.723 . . . . 0.0 109.513 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 36.6 t -80.88 105.41 12.09 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.14 -0.975 . . . . 0.0 109.219 -179.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 -60.52 -31.46 70.53 Favored 'General case' 0 N--CA 1.492 1.664 0 CA-C-O 121.213 0.53 . . . . 0.0 111.007 -179.424 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 63.9 mttm -70.76 -40.26 72.75 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.958 -1.089 . . . . 0.0 111.048 -178.644 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 69.3 m -84.24 -22.85 30.68 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.068 -1.02 . . . . 0.0 109.668 -179.502 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . 0.467 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 6.7 tt0 -79.31 -71.07 0.46 Allowed 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.301 -0.874 . . . . 0.0 109.086 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 38.3 mt -85.41 88.56 7.52 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.978 -1.076 . . . . 0.0 108.948 179.33 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 53.1 pttt -96.37 -14.42 22.52 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.399 -0.813 . . . . 0.0 109.255 179.526 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -78.71 171.01 55.05 Favored Glycine 0 N--CA 1.485 1.965 0 N-CA-C 109.523 -1.431 . . . . 0.0 109.523 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -89.75 126.57 35.72 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.311 -1.111 . . . . 0.0 108.832 179.592 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -92.25 157.84 16.45 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.117 -0.989 . . . . 0.0 109.097 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 50' ' ' MET . . . . . 0.414 ' C ' ' O ' ' A' ' 51' ' ' HIS . 80.1 mtp 51.44 76.3 0.17 Allowed 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.365 -0.834 . . . . 0.0 109.629 179.784 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 51' ' ' HIS . . . . . 0.803 ' H ' ' H ' ' A' ' 51' ' ' HIS . 16.5 t-160 -146.43 -172.15 3.89 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.291 -0.881 . . . . 0.0 109.553 -179.359 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . 0.599 ' H ' ' CD2' ' B' ' 51' ' ' HIS . . . 83.54 48.58 5.23 Favored Glycine 0 N--CA 1.5 2.955 0 O-C-N 120.549 -1.344 . . . . 0.0 110.013 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . 0.413 ' O ' ' O ' ' B' ' 54' ' ' VAL . 15.0 pt20 -80.89 137.05 36.15 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.249 -1.148 . . . . 0.0 110.441 -179.605 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.413 ' O ' ' O ' ' B' ' 53' ' ' GLN . 3.5 t 57.96 158.16 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 O-C-N 121.701 -0.624 . . . . 0.0 109.792 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . 0.435 ' OD1' ' N ' ' B' ' 55' ' ' ASP . 33.7 p-10 . . . . . 0 N--CA 1.49 1.532 0 CA-C-O 117.882 -1.056 . . . . 0.0 108.91 179.481 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 . . . . . 0 N--CA 1.489 1.504 0 CA-C-O 121.444 0.64 . . . . 0.0 109.522 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 51.5 mt -71.13 -41.35 70.62 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.249 -0.907 . . . . 0.0 111.003 -178.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 48.3 t0 -62.47 -48.1 81.11 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.676 -1.265 . . . . 0.0 111.442 -178.54 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.38 -49.2 53.41 Favored Glycine 0 N--CA 1.49 2.251 0 N-CA-C 108.86 -1.696 . . . . 0.0 108.86 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.451 ' O ' ' N ' ' A' ' 9' ' ' GLN . 75.7 mt -56.12 -39.17 57.24 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.538 0 O-C-N 121.452 -1.028 . . . . 0.0 110.332 179.66 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 85.9 m-20 -55.15 -45.81 75.67 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.596 -1.315 . . . . 0.0 109.747 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 46.5 mtpt -70.66 -44.59 66.76 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.44 -0.788 . . . . 0.0 109.165 179.167 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.37 -34.31 78.01 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 -179.666 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' A' ' 5' ' ' ILE . 60.0 tt0 -58.23 -41.27 83.76 Favored 'General case' 0 C--N 1.305 -1.357 0 C-N-CA 119.787 -0.765 . . . . 0.0 108.946 -179.394 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -62.19 -39.7 93.57 Favored 'General case' 0 C--N 1.301 -1.518 0 C-N-CA 119.019 -1.072 . . . . 0.0 108.301 179.49 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.448 ' CD ' ' HG ' ' A' ' 17' ' ' SER . 9.7 tm-20 -61.26 -40.79 95.4 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 179.504 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.54 ' O ' ' N ' ' A' ' 16' ' ' HIS . 16.3 t60 -63.72 -43.69 95.79 Favored 'General case' 0 C--N 1.302 -1.46 0 C-N-CA 119.26 -0.976 . . . . 0.0 110.136 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 -62.21 -42.54 99.39 Favored 'General case' 0 C--N 1.296 -1.724 0 O-C-N 121.242 -0.912 . . . . 0.0 110.514 -179.038 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 56.8 mtpt -61.59 -34.35 75.47 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.553 -0.717 . . . . 0.0 112.302 -178.446 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 -136.27 -5.21 2.08 Favored 'General case' 0 N--CA 1.507 2.381 0 O-C-N 120.953 -1.092 . . . . 0.0 112.68 -176.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.54 ' N ' ' O ' ' A' ' 12' ' ' HIS . 91.1 m-70 54.75 45.53 26.52 Favored 'General case' 0 N--CA 1.493 1.712 0 N-CA-C 106.881 -1.525 . . . . 0.0 106.881 -176.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.448 ' HG ' ' CD ' ' A' ' 11' ' ' GLU . 91.6 p -67.52 154.28 41.78 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.42 -0.8 . . . . 0.0 109.796 -179.186 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 30.7 m120 -71.81 159.08 34.93 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.409 -0.807 . . . . 0.0 109.279 179.398 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 48.0 p-90 -57.76 -28.99 64.44 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.033 -1.042 . . . . 0.0 110.168 -179.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -62.2 -41.3 98.22 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 120.739 -1.225 . . . . 0.0 109.365 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.08 -49.69 64.22 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.208 -0.933 . . . . 0.0 109.619 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 79.4 mtm -61.2 -39.57 90.7 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.542 -0.724 . . . . 0.0 109.835 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.541 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -59.36 -46.57 88.28 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 179.812 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.1 t -69.2 -37.89 78.34 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.23 -0.919 . . . . 0.0 110.06 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 56.8 t0 -60.04 -39.92 87.59 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.297 -0.877 . . . . 0.0 110.388 -178.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -111.26 -0.1 16.55 Favored 'General case' 0 N--CA 1.502 2.157 0 O-C-N 121.302 -0.874 . . . . 0.0 109.645 179.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.541 ' N ' ' O ' ' A' ' 23' ' ' ALA . 52.0 t30 55.58 50.77 13.83 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.484 -0.76 . . . . 0.0 110.396 179.257 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 67.1 mt -117.01 150.11 45.37 Favored Pre-proline 0 N--CA 1.508 2.445 0 O-C-N 121.13 -0.981 . . . . 0.0 110.514 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -44.95 156.8 0.23 Allowed 'Trans proline' 0 N--CA 1.486 1.053 0 C-N-CA 121.439 1.426 . . . . 0.0 110.87 178.167 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.413 ' O ' ' N ' ' A' ' 34' ' ' LYS . 9.9 Cg_endo -56.91 -31.42 89.3 Favored 'Trans proline' 0 C--N 1.306 -1.675 0 C-N-CA 121.658 1.572 . . . . 0.0 111.349 179.182 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 61.3 t -55.36 -48.47 76.81 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.555 -0.715 . . . . 0.0 110.562 -178.395 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 69.2 t -66.89 -50.46 64.72 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.879 0 O-C-N 120.871 -1.143 . . . . 0.0 109.921 -179.156 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.82 -40.41 91.81 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 121.117 -0.989 . . . . 0.0 109.587 179.672 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' A' ' 30' ' ' PRO . 13.8 mmmt -62.1 -40.45 95.89 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.366 -0.834 . . . . 0.0 109.494 179.504 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.7 tm-20 -59.65 -40.08 86.5 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.185 -0.947 . . . . 0.0 110.65 -178.499 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 21.7 mt -59.82 -43.78 92.62 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 O-C-N 120.949 -1.095 . . . . 0.0 108.487 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 75.4 t -64.07 -39.95 87.29 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.886 0 C-N-CA 119.312 -0.955 . . . . 0.0 109.004 179.293 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.52 -34.75 73.02 Favored 'General case' 0 C--N 1.297 -1.708 0 CA-C-O 121.512 0.672 . . . . 0.0 110.345 -179.446 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.7 m -78.53 -23.92 45.97 Favored 'General case' 0 C--N 1.295 -1.781 0 O-C-N 121.336 -0.853 . . . . 0.0 110.332 -178.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 43.0 t -80.81 100.94 9.06 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.043 -1.036 . . . . 0.0 109.236 -179.551 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 -60.07 -30.2 69.06 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.383 -0.823 . . . . 0.0 110.416 -179.216 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 64.3 mttm -69.07 -30.01 68.25 Favored 'General case' 0 C--N 1.297 -1.684 0 O-C-N 120.845 -1.159 . . . . 0.0 110.724 -178.37 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 25.7 m -91.41 -59.86 2.03 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.073 -1.017 . . . . 0.0 112.656 -178.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.428 ' NE2' ' OE1' ' B' ' 44' ' ' GLN . 14.3 tt0 -69.06 -39.1 79.34 Favored 'General case' 0 N--CA 1.503 2.199 0 O-C-N 120.757 -1.215 . . . . 0.0 112.893 -176.467 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 66.2 mt -81.99 12.2 4.37 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 120.355 -1.466 . . . . 0.0 109.746 -178.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -83.56 124.65 30.99 Favored 'General case' 0 C--N 1.293 -1.864 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 178.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 160.43 -162.37 33.29 Favored Glycine 0 N--CA 1.49 2.257 0 N-CA-C 109.327 -1.509 . . . . 0.0 109.327 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -89.09 128.63 35.76 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.179 -1.189 . . . . 0.0 109.812 179.638 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -94.6 -177.76 4.33 Favored 'General case' 0 N--CA 1.498 1.926 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 178.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 63.1 mtt -59.69 -13.99 12.17 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 120.805 -1.184 . . . . 0.0 110.438 -179.17 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 -86.55 129.63 34.79 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.698 -1.251 . . . . 0.0 109.1 179.254 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -177.84 -52.45 0.07 OUTLIER Glycine 0 N--CA 1.487 2.092 0 N-CA-C 108.327 -1.909 . . . . 0.0 108.327 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -75.24 165.45 25.17 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.378 -1.072 . . . . 0.0 108.651 179.306 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.8 t 62.38 159.73 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.504 2.268 0 O-C-N 121.365 -0.834 . . . . 0.0 109.229 -178.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 40.7 t0 . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 117.787 -1.101 . . . . 0.0 109.015 -179.909 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 . . . . . 0 N--CA 1.489 1.502 0 CA-C-O 121.653 0.74 . . . . 0.0 109.364 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 48.2 mt -70.28 -38.72 75.11 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.646 -0.659 . . . . 0.0 111.138 -178.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -64.24 -47.46 79.57 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.011 -1.056 . . . . 0.0 111.295 -178.204 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.28 -46.91 55.25 Favored Glycine 0 N--CA 1.491 2.331 0 N-CA-C 109.307 -1.517 . . . . 0.0 109.307 -179.56 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . 0.528 ' O ' ' N ' ' B' ' 9' ' ' GLN . 68.8 mt -58.14 -39.88 74.9 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.574 -0.957 . . . . 0.0 109.778 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -55.05 -46.08 75.32 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.606 -1.309 . . . . 0.0 109.448 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 44.1 mtpt -69.18 -43.5 74.1 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.068 -1.02 . . . . 0.0 109.074 178.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.69 -34.06 77.01 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.691 -0.631 . . . . 0.0 109.546 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . 0.528 ' N ' ' O ' ' B' ' 5' ' ' ILE . 58.5 tt0 -57.86 -42.06 83.71 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.347 -0.846 . . . . 0.0 109.155 -179.599 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -61.36 -41.92 97.85 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 121.215 -0.928 . . . . 0.0 108.758 179.167 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 10.1 tm-20 -60.02 -39.92 87.51 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.29 -0.881 . . . . 0.0 109.144 179.215 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . 0.56 ' O ' ' N ' ' B' ' 16' ' ' HIS . 15.7 t60 -64.43 -43.69 93.53 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.047 -1.033 . . . . 0.0 109.95 179.799 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 72.6 tt0 -62.64 -42.39 99.57 Favored 'General case' 0 C--N 1.298 -1.652 0 O-C-N 121.241 -0.912 . . . . 0.0 110.794 -179.055 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 57.3 mtpt -61.98 -34.9 76.99 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.616 -0.678 . . . . 0.0 112.2 -178.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -134.97 -4.19 2.46 Favored 'General case' 0 N--CA 1.509 2.523 0 O-C-N 120.735 -1.228 . . . . 0.0 112.734 -177.014 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.56 ' N ' ' O ' ' B' ' 12' ' ' HIS . 89.8 m-70 54.17 43.84 30.04 Favored 'General case' 0 N--CA 1.492 1.643 0 N-CA-C 107.275 -1.38 . . . . 0.0 107.275 -177.102 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 87.5 p -65.52 156.63 31.94 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.39 -0.819 . . . . 0.0 110.536 -178.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 29.7 m120 -73.78 159.28 33.16 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.293 -0.879 . . . . 0.0 109.515 179.23 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 44.8 p-90 -58.06 -28.24 64.35 Favored 'General case' 0 C--N 1.297 -1.676 0 O-C-N 121.114 -0.992 . . . . 0.0 110.007 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -63.96 -39.84 95.05 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.05 -1.031 . . . . 0.0 109.513 179.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.54 -49.82 50.8 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.359 -0.838 . . . . 0.0 109.102 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 80.1 mtm -60.32 -40.14 89.55 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.39 -0.819 . . . . 0.0 109.663 179.634 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . 0.537 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -58.83 -46.96 86.45 Favored 'General case' 0 C--N 1.304 -1.397 0 C-N-CA 119.0 -1.08 . . . . 0.0 108.767 -179.824 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 26.9 t -69.02 -37.39 78.61 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.095 -1.003 . . . . 0.0 110.103 179.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 59.5 t0 -60.2 -40.33 89.68 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.139 -0.976 . . . . 0.0 110.494 -179.509 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -110.04 -2.89 16.79 Favored 'General case' 0 N--CA 1.505 2.304 0 O-C-N 121.039 -1.038 . . . . 0.0 109.988 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . 0.537 ' N ' ' O ' ' B' ' 23' ' ' ALA . 43.4 t30 57.39 50.47 11.33 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.787 -0.571 . . . . 0.0 110.309 179.226 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 75.5 mt -116.77 151.25 47.04 Favored Pre-proline 0 N--CA 1.501 2.083 0 O-C-N 121.335 -0.853 . . . . 0.0 110.16 -179.245 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -46.01 156.78 0.44 Allowed 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 121.742 1.628 . . . . 0.0 110.674 178.056 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . 0.423 ' O ' ' N ' ' B' ' 34' ' ' LYS . 11.4 Cg_endo -57.74 -29.8 86.98 Favored 'Trans proline' 0 C--N 1.305 -1.717 0 C-N-CA 121.652 1.568 . . . . 0.0 110.905 179.174 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 53.5 t -56.82 -48.86 80.48 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.508 0 O-C-N 121.655 -0.653 . . . . 0.0 110.145 -178.307 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 99.4 t -66.22 -50.13 70.77 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.943 0 C-N-CA 118.584 -1.246 . . . . 0.0 109.452 -178.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.17 -42.04 94.06 Favored 'General case' 0 C--N 1.299 -1.63 0 O-C-N 121.583 -0.698 . . . . 0.0 109.736 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' B' ' 30' ' ' PRO . 13.7 mmmt -62.06 -38.93 90.62 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.904 -1.122 . . . . 0.0 110.066 179.387 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 14.0 tm-20 -61.02 -40.08 92.22 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.129 -0.982 . . . . 0.0 110.618 -178.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 43.3 mt -60.29 -41.11 85.89 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.771 0 O-C-N 120.727 -1.233 . . . . 0.0 108.46 -179.665 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 65.3 t -66.48 -39.29 83.62 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.686 0 O-C-N 121.185 -0.947 . . . . 0.0 108.949 179.112 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.75 -33.32 72.76 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.549 -0.719 . . . . 0.0 110.556 -179.376 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 22.0 m -79.7 -23.29 42.5 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.308 -0.87 . . . . 0.0 109.866 -178.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 48.4 t -80.18 100.15 8.14 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.084 -1.01 . . . . 0.0 108.96 179.482 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -60.31 -29.95 69.18 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 121.528 -0.732 . . . . 0.0 110.117 -179.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 63.0 mttm -69.38 -30.9 68.99 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.788 -1.195 . . . . 0.0 111.297 -178.019 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 22.0 m -90.74 -59.32 2.21 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.38 -0.825 . . . . 0.0 112.569 -178.586 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . 0.428 ' OE1' ' NE2' ' A' ' 44' ' ' GLN . 45.9 tt0 -69.63 -39.82 76.91 Favored 'General case' 0 N--CA 1.503 2.194 0 O-C-N 120.487 -1.383 . . . . 0.0 112.731 -176.753 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 64.1 mt -80.46 12.74 2.83 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 120.357 -1.464 . . . . 0.0 109.85 -178.608 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -84.28 126.27 33.02 Favored 'General case' 0 C--N 1.296 -1.726 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 179.257 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 159.6 -162.63 33.07 Favored Glycine 0 N--CA 1.487 2.046 0 N-CA-C 109.4 -1.48 . . . . 0.0 109.4 -179.647 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -89.44 128.94 36.01 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.239 -1.154 . . . . 0.0 109.48 179.685 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -94.51 -178.83 4.69 Favored 'General case' 0 C--N 1.297 -1.706 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 179.192 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 58.5 mtt -59.79 -13.6 11.1 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.615 -1.303 . . . . 0.0 110.041 -179.049 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 56.2 t-80 -86.5 128.93 35.01 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.683 -1.261 . . . . 0.0 109.202 178.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -177.32 -55.55 0.07 OUTLIER Glycine 0 N--CA 1.489 2.199 0 N-CA-C 108.833 -1.707 . . . . 0.0 108.833 -179.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . 0.409 ' O ' ' O ' ' B' ' 54' ' ' VAL . 26.9 mt-30 -73.08 169.24 17.42 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.46 -1.024 . . . . 0.0 108.968 179.547 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.409 ' O ' ' O ' ' B' ' 53' ' ' GLN . 13.4 t 59.46 156.93 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.5 2.063 0 O-C-N 121.208 -0.933 . . . . 0.0 109.114 -178.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 51.8 t0 . . . . . 0 C--N 1.304 -1.406 0 CA-C-O 117.901 -1.047 . . . . 0.0 108.393 179.434 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 46.4 m-85 . . . . . 0 N--CA 1.49 1.552 0 CA-C-O 121.566 0.698 . . . . 0.0 109.435 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 19.0 mt -71.24 -19.81 62.32 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.604 -0.685 . . . . 0.0 111.548 -178.654 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.547 ' OD1' ' N ' ' A' ' 3' ' ' ASP . 13.4 p-10 -67.65 -65.03 0.74 Allowed 'General case' 0 C--N 1.295 -1.804 0 O-C-N 121.045 -1.034 . . . . 0.0 111.309 -178.522 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.442 ' H ' ' CG ' ' A' ' 3' ' ' ASP . . . -61.05 -40.36 98.4 Favored Glycine 0 N--CA 1.497 2.764 0 N-CA-C 110.144 -1.183 . . . . 0.0 110.144 -179.24 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.495 ' O ' ' N ' ' A' ' 9' ' ' GLN . 96.6 mt -59.75 -40.24 81.95 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.536 0 O-C-N 121.531 -0.982 . . . . 0.0 109.932 -179.464 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 59.4 t0 -54.97 -44.83 74.77 Favored 'General case' 0 N--CA 1.485 1.294 0 O-C-N 120.817 -1.177 . . . . 0.0 108.163 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 60.1 tttp -69.17 -44.64 71.8 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.284 -0.885 . . . . 0.0 109.141 178.674 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.64 -34.15 77.61 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.236 -0.915 . . . . 0.0 109.496 179.464 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.495 ' N ' ' O ' ' A' ' 5' ' ' ILE . 58.5 tt0 -58.23 -42.04 85.44 Favored 'General case' 0 C--N 1.303 -1.456 0 C-N-CA 119.625 -0.83 . . . . 0.0 109.233 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -59.92 -40.44 88.89 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 119.527 -0.869 . . . . 0.0 109.547 179.609 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -60.68 -41.27 94.79 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 179.626 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.573 ' O ' ' N ' ' A' ' 16' ' ' HIS . 16.0 t60 -61.32 -47.02 87.87 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.363 -0.836 . . . . 0.0 110.026 179.382 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 34.1 tp10 -60.28 -41.27 92.99 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.007 -1.058 . . . . 0.0 110.415 -179.323 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.1 mtpp -61.23 -37.03 81.6 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.162 -0.961 . . . . 0.0 112.655 -178.652 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -135.13 -3.96 2.43 Favored 'General case' 0 N--CA 1.507 2.384 0 O-C-N 120.989 -1.07 . . . . 0.0 112.662 -176.62 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.573 ' N ' ' O ' ' A' ' 12' ' ' HIS . 89.2 m-70 55.65 49.92 15.44 Favored 'General case' 0 N--CA 1.496 1.848 0 N-CA-C 107.447 -1.316 . . . . 0.0 107.447 -177.639 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 68.0 p -69.57 154.05 42.57 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.664 -0.648 . . . . 0.0 110.786 -178.568 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -73.24 155.39 39.58 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.41 -0.807 . . . . 0.0 108.954 179.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 40.5 p-90 -55.03 -30.34 59.33 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.17 -0.956 . . . . 0.0 110.111 -179.351 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 85.6 mtm180 -62.03 -40.47 95.83 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.072 -1.018 . . . . 0.0 109.931 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.55 -48.69 54.13 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.266 -0.896 . . . . 0.0 109.234 -179.595 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 76.8 mtm -59.94 -39.88 87.05 Favored 'General case' 0 C--N 1.304 -1.409 0 C-N-CA 119.673 -0.811 . . . . 0.0 109.388 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -57.65 -48.44 79.48 Favored 'General case' 0 C--N 1.297 -1.715 0 C-N-CA 119.054 -1.058 . . . . 0.0 109.109 179.591 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 35.1 t -69.91 -35.38 74.56 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.253 -0.904 . . . . 0.0 110.612 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 54.2 m-20 -60.79 -40.03 91.12 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.326 -0.859 . . . . 0.0 110.557 -178.198 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -112.23 -1.63 15.13 Favored 'General case' 0 N--CA 1.502 2.152 0 O-C-N 121.302 -0.874 . . . . 0.0 110.089 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.456 ' N ' ' O ' ' A' ' 23' ' ' ALA . 42.7 t30 59.95 48.72 8.47 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.352 -0.843 . . . . 0.0 109.152 -179.755 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 75.8 mt -111.37 152.29 43.79 Favored Pre-proline 0 N--CA 1.499 1.984 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 179.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -59.96 159.81 24.19 Favored 'Trans proline' 0 C--N 1.312 -1.386 0 C-N-CA 121.242 1.295 . . . . 0.0 111.315 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -55.35 -36.3 93.5 Favored 'Trans proline' 0 C--N 1.307 -1.622 0 C-N-CA 122.418 2.079 . . . . 0.0 110.699 -179.523 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 32.3 t -54.01 -48.58 63.9 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.706 0 C-N-CA 119.749 -0.781 . . . . 0.0 110.377 -179.431 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 58.1 t -69.13 -46.66 77.71 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.968 0 C-N-CA 118.522 -1.271 . . . . 0.0 109.673 -178.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.93 -45.03 83.31 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.358 -0.839 . . . . 0.0 109.851 179.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp -61.96 -34.89 76.97 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.038 -1.039 . . . . 0.0 110.25 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -63.81 -39.04 93.3 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.054 -1.029 . . . . 0.0 110.383 -179.63 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 59.8 mt -59.81 -40.59 83.06 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 O-C-N 120.841 -1.162 . . . . 0.0 108.442 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 90.6 t -64.04 -38.99 83.86 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.631 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 178.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.54 -34.05 73.55 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.545 -0.722 . . . . 0.0 110.264 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.2 m -78.44 -25.25 45.9 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.082 -1.011 . . . . 0.0 109.626 -179.284 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 40.9 t -82.86 101.23 10.84 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.414 -0.804 . . . . 0.0 109.243 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -60.44 -29.76 69.21 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.642 -0.662 . . . . 0.0 110.093 -179.552 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 64.0 mttm -68.96 -39.92 79.21 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 120.848 -1.157 . . . . 0.0 109.968 -178.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 67.6 m -86.16 -20.2 28.96 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.153 -0.967 . . . . 0.0 109.878 179.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -74.64 -73.16 0.25 Allowed 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.049 -1.032 . . . . 0.0 109.057 -179.7 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 34.1 mt -82.15 112.04 18.82 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 179.304 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 54.6 tttp -88.49 -75.57 0.42 Allowed 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.002 -1.061 . . . . 0.0 109.952 -179.487 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -96.1 126.04 8.64 Favored Glycine 0 N--CA 1.496 2.664 0 N-CA-C 109.813 -1.315 . . . . 0.0 109.813 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 19.6 pt-20 -89.57 137.35 32.4 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.373 -1.074 . . . . 0.0 108.499 179.136 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -77.02 150.77 35.77 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.063 -1.023 . . . . 0.0 110.462 -179.326 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 1.8 mmm -179.69 154.98 0.62 Allowed 'General case' 0 N--CA 1.496 1.872 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 50.5 m-70 48.8 -100.08 0.07 Allowed 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.168 -0.957 . . . . 0.0 110.469 178.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 85.13 -74.24 2.51 Favored Glycine 0 N--CA 1.494 2.535 0 N-CA-C 109.967 -1.253 . . . . 0.0 109.967 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.415 ' O ' ' CG2' ' A' ' 54' ' ' VAL . 27.0 mt-30 -95.18 142.59 27.43 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.443 -1.033 . . . . 0.0 109.663 -179.411 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.415 ' CG2' ' O ' ' A' ' 53' ' ' GLN . 26.4 m 43.12 -153.32 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.955 0 O-C-N 121.575 -0.703 . . . . 0.0 110.221 179.405 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 65.7 t0 . . . . . 0 N--CA 1.49 1.569 0 CA-C-O 118.103 -0.951 . . . . 0.0 109.911 -179.952 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 43.9 m-85 . . . . . 0 N--CA 1.491 1.577 0 CA-C-O 121.314 0.578 . . . . 0.0 109.644 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 19.5 mt -73.09 -17.39 61.42 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.575 -0.703 . . . . 0.0 111.345 -178.222 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . 0.524 ' OD1' ' N ' ' B' ' 3' ' ' ASP . 14.3 p-10 -69.95 -64.95 0.79 Allowed 'General case' 0 C--N 1.3 -1.569 0 O-C-N 120.843 -1.161 . . . . 0.0 110.85 -178.839 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . 0.468 ' H ' ' CG ' ' B' ' 3' ' ' ASP . . . -59.99 -41.57 97.96 Favored Glycine 0 N--CA 1.498 2.832 0 N-CA-C 110.314 -1.114 . . . . 0.0 110.314 -179.514 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . 0.517 ' O ' ' N ' ' B' ' 9' ' ' GLN . 95.8 mt -59.64 -40.64 82.75 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 O-C-N 121.392 -1.064 . . . . 0.0 110.016 -179.646 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 62.7 t0 -54.88 -44.14 73.82 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 120.756 -1.215 . . . . 0.0 108.593 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 60.2 tttp -69.65 -45.27 68.8 Favored 'General case' 0 N--CA 1.491 1.607 0 C-N-CA 119.521 -0.872 . . . . 0.0 108.935 178.455 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.71 -33.59 76.33 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.496 -0.753 . . . . 0.0 109.538 179.442 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . 0.517 ' N ' ' O ' ' B' ' 5' ' ' ILE . 58.9 tt0 -58.68 -41.19 85.63 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.25 -0.906 . . . . 0.0 109.026 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -60.83 -41.64 96.15 Favored 'General case' 0 C--N 1.302 -1.491 0 C-N-CA 119.148 -1.021 . . . . 0.0 109.202 179.197 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -59.48 -39.77 84.79 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.125 -0.984 . . . . 0.0 108.396 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . 0.561 ' O ' ' N ' ' B' ' 16' ' ' HIS . 17.0 t60 -62.38 -47.47 84.01 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.063 -1.023 . . . . 0.0 110.182 179.282 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 28.3 tp10 -59.94 -41.79 92.58 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.019 -1.051 . . . . 0.0 110.711 -179.141 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 26.3 mtpp -60.49 -36.16 77.64 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.47 -0.769 . . . . 0.0 112.456 -178.571 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -136.22 -3.91 2.17 Favored 'General case' 0 N--CA 1.506 2.367 0 O-C-N 120.936 -1.103 . . . . 0.0 112.528 -176.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.561 ' N ' ' O ' ' B' ' 12' ' ' HIS . 90.4 m-70 56.07 47.77 19.02 Favored 'General case' 0 N--CA 1.498 1.966 0 N-CA-C 107.605 -1.257 . . . . 0.0 107.605 -177.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 78.2 p -66.63 155.15 38.68 Favored 'General case' 0 C--N 1.302 -1.494 0 C-N-CA 119.923 -0.711 . . . . 0.0 110.48 -178.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -74.43 157.56 35.41 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.516 -0.74 . . . . 0.0 109.17 179.306 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 37.1 p-90 -56.38 -30.87 63.24 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.139 -0.976 . . . . 0.0 110.203 -179.618 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 87.6 mtm180 -62.53 -39.6 94.11 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.831 -1.168 . . . . 0.0 109.92 -179.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.01 -49.52 50.62 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.322 -0.861 . . . . 0.0 109.312 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 77.8 mtm -59.32 -40.38 86.09 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.363 -0.836 . . . . 0.0 109.551 -179.7 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . 0.485 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -57.5 -47.57 81.58 Favored 'General case' 0 C--N 1.3 -1.577 0 C-N-CA 118.897 -1.121 . . . . 0.0 109.358 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 47.9 t -70.18 -35.53 74.04 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.592 -0.693 . . . . 0.0 110.797 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -60.71 -41.05 94.44 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.153 -0.967 . . . . 0.0 110.257 -178.51 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -111.62 -1.28 15.8 Favored 'General case' 0 N--CA 1.503 2.202 0 O-C-N 121.546 -0.721 . . . . 0.0 110.277 -179.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . 0.485 ' N ' ' O ' ' B' ' 23' ' ' ALA . 39.7 t30 59.94 46.77 10.69 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.049 -1.032 . . . . 0.0 109.234 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 81.6 mt -109.94 152.44 43.02 Favored Pre-proline 0 N--CA 1.497 1.897 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -60.51 159.91 25.96 Favored 'Trans proline' 0 C--N 1.313 -1.33 0 C-N-CA 121.197 1.264 . . . . 0.0 111.043 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_endo -55.77 -35.65 93.86 Favored 'Trans proline' 0 C--N 1.302 -1.901 0 C-N-CA 122.603 2.202 . . . . 0.0 110.919 -179.359 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 34.1 t -54.86 -48.43 74.09 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.631 0 O-C-N 121.302 -0.874 . . . . 0.0 110.094 -179.574 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 60.0 t -68.87 -46.63 78.89 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.639 0 C-N-CA 118.274 -1.37 . . . . 0.0 109.53 -179.279 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.65 -45.66 82.12 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.165 -0.959 . . . . 0.0 109.758 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 25.8 mtpp -61.71 -34.04 75.09 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.935 -1.103 . . . . 0.0 110.259 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.1 tm-20 -64.03 -39.63 94.52 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.945 -1.097 . . . . 0.0 110.267 -179.445 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 62.6 mt -59.54 -39.77 80.21 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.347 0 O-C-N 120.892 -1.13 . . . . 0.0 108.405 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 90.1 t -64.61 -39.48 85.77 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.565 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 178.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . 0.443 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -59.91 -32.52 70.83 Favored 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.292 179.434 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 14.9 m -79.74 -27.58 40.53 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.033 -1.042 . . . . 0.0 109.581 -179.532 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 42.7 t -81.32 102.7 10.59 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.056 -1.028 . . . . 0.0 109.022 179.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -61.89 -29.09 69.97 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.734 -0.604 . . . . 0.0 110.306 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -68.98 -39.57 79.32 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.816 -1.177 . . . . 0.0 109.904 -178.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 64.0 m -85.73 -22.76 27.63 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.195 -0.94 . . . . 0.0 109.483 179.561 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . 0.443 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 24.1 tt0 -73.01 -73.59 0.2 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.074 -1.016 . . . . 0.0 109.237 -179.689 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 31.7 mt -81.73 111.97 18.47 Favored 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 179.186 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 53.4 tttp -88.81 -75.38 0.43 Allowed 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.32 -0.863 . . . . 0.0 109.561 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -95.62 124.89 8.18 Favored Glycine 0 N--CA 1.495 2.6 0 N-CA-C 110.342 -1.103 . . . . 0.0 110.342 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -87.28 139.96 30.02 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.268 -1.137 . . . . 0.0 108.103 178.57 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.05 149.75 29.11 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 120.919 -1.113 . . . . 0.0 110.34 -179.057 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 1.7 mmm -179.02 154.93 0.71 Allowed 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.609 -0.682 . . . . 0.0 109.161 -179.407 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 41.9 m-70 49.02 -100.81 0.08 Allowed 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.165 -0.959 . . . . 0.0 110.237 179.042 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 84.99 -73.19 2.67 Favored Glycine 0 N--CA 1.49 2.242 0 N-CA-C 109.758 -1.337 . . . . 0.0 109.758 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . 0.4 ' O ' ' CG2' ' B' ' 54' ' ' VAL . 27.2 mt-30 -96.7 143.65 27.45 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.089 -1.242 . . . . 0.0 109.602 -179.484 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.4 ' CG2' ' O ' ' B' ' 53' ' ' GLN . 29.8 m 42.79 -153.11 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.858 0 O-C-N 121.171 -0.956 . . . . 0.0 110.372 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 60.8 t0 . . . . . 0 N--CA 1.491 1.625 0 CA-C-O 118.143 -0.932 . . . . 0.0 109.727 179.919 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 . . . . . 0 N--CA 1.49 1.558 0 CA-C-O 121.313 0.578 . . . . 0.0 109.802 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 16.1 mt -73.37 -41.12 63.79 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.428 -0.795 . . . . 0.0 111.488 -178.434 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -65.33 -42.45 92.9 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 120.562 -1.336 . . . . 0.0 110.638 -178.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.95 -48.6 47.03 Favored Glycine 0 N--CA 1.491 2.334 0 N-CA-C 109.917 -1.273 . . . . 0.0 109.917 -179.487 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.417 ' O ' ' N ' ' A' ' 9' ' ' GLN . 83.8 mt -59.76 -38.45 76.04 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.625 0 O-C-N 121.455 -1.026 . . . . 0.0 110.256 -179.855 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -55.43 -45.17 76.78 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 120.854 -1.154 . . . . 0.0 109.129 -179.215 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -69.54 -43.25 73.36 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.998 -1.064 . . . . 0.0 109.154 178.679 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.06 -37.84 84.74 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.558 -0.714 . . . . 0.0 109.866 179.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.417 ' N ' ' O ' ' A' ' 5' ' ' ILE . 61.3 tt0 -56.38 -40.64 74.93 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.273 -0.892 . . . . 0.0 109.244 -179.617 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 66.4 tt0 -61.17 -43.74 98.41 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.167 -0.958 . . . . 0.0 108.882 179.335 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 23.5 tp10 -60.55 -39.82 89.32 Favored 'General case' 0 C--N 1.306 -1.321 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.571 ' O ' ' N ' ' A' ' 16' ' ' HIS . 17.9 t60 -61.59 -48.08 82.55 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.179 -0.951 . . . . 0.0 109.753 179.594 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 34.7 tp10 -60.44 -41.07 93.27 Favored 'General case' 0 C--N 1.296 -1.744 0 O-C-N 121.188 -0.945 . . . . 0.0 110.365 -179.113 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -62.75 -31.25 72.16 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.333 -0.854 . . . . 0.0 112.677 -178.287 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -140.06 -4.17 1.36 Allowed 'General case' 0 N--CA 1.51 2.533 0 O-C-N 120.539 -1.351 . . . . 0.0 111.935 -177.557 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.571 ' N ' ' O ' ' A' ' 12' ' ' HIS . 88.2 m-70 54.97 43.12 30.39 Favored 'General case' 0 N--CA 1.495 1.796 0 N-CA-C 107.349 -1.352 . . . . 0.0 107.349 -177.255 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 90.9 p -64.29 157.27 26.49 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.579 -0.701 . . . . 0.0 110.707 -178.463 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 19.9 m120 -73.36 159.92 32.59 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.406 -0.809 . . . . 0.0 109.318 179.707 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 36.5 p-90 -57.36 -29.39 63.98 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.182 -0.949 . . . . 0.0 109.851 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -63.97 -40.04 95.5 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.018 -1.051 . . . . 0.0 109.822 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.49 -49.63 58.28 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.145 -0.972 . . . . 0.0 109.267 -179.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 78.9 mtm -60.2 -41.02 92.1 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.228 -0.92 . . . . 0.0 109.5 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.521 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -56.76 -46.7 81.28 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.186 -0.946 . . . . 0.0 109.608 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 7.7 t -69.8 -37.32 76.26 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.171 -0.956 . . . . 0.0 110.565 -179.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -60.36 -39.98 89.11 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.266 -0.896 . . . . 0.0 110.435 -178.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -111.05 0.9 17.09 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.432 -0.793 . . . . 0.0 109.765 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.521 ' N ' ' O ' ' A' ' 23' ' ' ALA . 15.2 m120 55.01 47.16 22.72 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.593 -0.692 . . . . 0.0 109.969 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 45.1 mt -112.6 151.69 44.1 Favored Pre-proline 0 N--CA 1.503 2.201 0 O-C-N 121.226 -0.922 . . . . 0.0 108.873 179.644 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -58.78 162.14 13.7 Favored 'Trans proline' 0 C--N 1.312 -1.345 0 C-N-CA 121.431 1.421 . . . . 0.0 111.41 179.655 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.519 ' O ' ' N ' ' A' ' 34' ' ' LYS . 12.2 Cg_endo -56.7 -29.54 80.51 Favored 'Trans proline' 0 C--N 1.304 -1.77 0 C-N-CA 122.412 2.075 . . . . 0.0 111.408 179.482 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 95.4 t -57.56 -49.33 80.82 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.611 0 O-C-N 121.117 -0.989 . . . . 0.0 109.659 -178.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 59.4 t -68.48 -47.72 75.92 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.914 0 C-N-CA 118.937 -1.105 . . . . 0.0 108.841 -179.617 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.54 -44.53 86.59 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.423 -0.798 . . . . 0.0 110.436 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.519 ' N ' ' O ' ' A' ' 30' ' ' PRO . 19.8 mmmt -62.74 -35.66 80.5 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.811 -1.181 . . . . 0.0 109.646 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.5 tm-20 -61.72 -40.05 93.68 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.283 -0.886 . . . . 0.0 110.203 -178.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 26.8 mt -60.12 -40.22 82.76 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 120.787 -1.196 . . . . 0.0 108.67 179.458 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 69.0 t -62.98 -39.6 85.8 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 121.268 -0.895 . . . . 0.0 109.241 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.21 -33.46 72.28 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.392 -0.817 . . . . 0.0 110.25 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 52.5 m -77.68 -27.54 50.82 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.289 -0.882 . . . . 0.0 110.164 -178.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 44.3 t -79.62 104.51 10.27 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.183 -0.948 . . . . 0.0 109.236 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -60.12 -31.37 69.99 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.327 -0.858 . . . . 0.0 110.587 -179.499 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -69.27 -43.34 74.12 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.949 -1.095 . . . . 0.0 110.653 -179.114 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 88.3 m -84.42 -32.39 24.13 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.92 -1.113 . . . . 0.0 110.269 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -68.81 -51.62 38.83 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.07 -1.019 . . . . 0.0 111.066 -178.587 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 67.7 mt -87.38 54.87 3.3 Favored 'General case' 0 N--CA 1.494 1.737 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 18.1 ptmt -82.49 150.75 26.83 Favored 'General case' 0 C--N 1.294 -1.811 0 O-C-N 121.508 -0.745 . . . . 0.0 110.197 -178.677 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.66 -178.9 52.41 Favored Glycine 0 N--CA 1.49 2.254 0 N-CA-C 109.731 -1.347 . . . . 0.0 109.731 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.8 mp0 -93.1 135.33 34.39 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.382 -1.069 . . . . 0.0 109.692 179.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.7 -127.2 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.265 -0.897 . . . . 0.0 109.126 179.589 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.511 ' N ' ' SD ' ' A' ' 50' ' ' MET . 0.0 OUTLIER -55.66 -83.19 0.01 OUTLIER 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.517 -0.74 . . . . 0.0 109.364 179.629 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.405 ' O ' ' CG ' ' A' ' 51' ' ' HIS . 33.0 t60 42.65 54.72 4.46 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.429 -0.794 . . . . 0.0 109.498 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -175.36 68.46 0.09 OUTLIER Glycine 0 N--CA 1.487 2.09 0 C-N-CA 119.566 -1.302 . . . . 0.0 109.914 -179.545 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.492 ' HG2' ' H ' ' A' ' 54' ' ' VAL . 17.9 tt0 -165.67 -174.74 3.21 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.285 -1.127 . . . . 0.0 108.345 179.705 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.492 ' H ' ' HG2' ' A' ' 53' ' ' GLN . 56.2 t 56.98 166.56 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 121.33 -0.856 . . . . 0.0 109.492 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 . . . . . 0 C--N 1.303 -1.419 0 CA-C-O 117.87 -1.062 . . . . 0.0 108.94 -179.815 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 . . . . . 0 N--CA 1.49 1.543 0 CA-C-O 121.366 0.603 . . . . 0.0 109.923 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 16.5 mt -74.03 -40.32 62.94 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.468 -0.77 . . . . 0.0 111.499 -178.107 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -65.99 -42.11 90.21 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.634 -1.291 . . . . 0.0 110.674 -178.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.71 -47.81 46.37 Favored Glycine 0 N--CA 1.489 2.19 0 N-CA-C 109.671 -1.372 . . . . 0.0 109.671 -179.65 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . 0.429 ' O ' ' N ' ' B' ' 9' ' ' GLN . 90.1 mt -60.01 -38.83 78.31 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.526 0 O-C-N 121.425 -1.044 . . . . 0.0 110.274 -179.651 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -55.41 -46.36 76.64 Favored 'General case' 0 C--N 1.296 -1.723 0 O-C-N 120.77 -1.206 . . . . 0.0 109.13 -179.371 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -69.06 -42.26 76.51 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.949 -1.095 . . . . 0.0 108.929 178.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.43 -36.94 82.24 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.402 -0.811 . . . . 0.0 109.893 179.615 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . 0.429 ' N ' ' O ' ' B' ' 5' ' ' ILE . 61.0 tt0 -57.58 -40.45 79.03 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.439 -0.788 . . . . 0.0 109.118 -179.3 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 69.2 tt0 -61.12 -43.7 98.48 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.27 -0.894 . . . . 0.0 108.861 179.238 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 25.7 tp10 -60.43 -40.95 92.9 Favored 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 179.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . 0.565 ' O ' ' N ' ' B' ' 16' ' ' HIS . 17.4 t60 -60.98 -46.16 91.87 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.249 -0.907 . . . . 0.0 110.246 179.77 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 34.2 tp10 -61.97 -41.31 97.87 Favored 'General case' 0 C--N 1.298 -1.647 0 O-C-N 121.072 -1.017 . . . . 0.0 110.284 -179.296 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 57.1 mtpt -62.62 -31.63 72.51 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.562 -0.711 . . . . 0.0 112.615 -178.014 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -139.11 -6.38 1.41 Allowed 'General case' 0 N--CA 1.506 2.359 0 O-C-N 120.576 -1.328 . . . . 0.0 111.934 -177.567 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.565 ' N ' ' O ' ' B' ' 12' ' ' HIS . 87.7 m-70 56.52 44.2 24.53 Favored 'General case' 0 N--CA 1.497 1.919 0 N-CA-C 107.075 -1.454 . . . . 0.0 107.075 -177.051 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 91.0 p -65.26 157.0 30.17 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.595 -0.691 . . . . 0.0 110.676 -178.451 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -73.75 159.04 33.53 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.473 -0.767 . . . . 0.0 109.044 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 42.3 p-90 -56.53 -29.43 61.89 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.066 -1.021 . . . . 0.0 110.257 -179.423 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -63.86 -39.91 95.32 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.946 -1.096 . . . . 0.0 110.225 -179.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.64 -49.49 58.76 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.304 -0.872 . . . . 0.0 109.163 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 78.6 mtm -60.35 -40.12 89.58 Favored 'General case' 0 C--N 1.301 -1.505 0 C-N-CA 119.371 -0.932 . . . . 0.0 109.5 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . 0.504 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -58.14 -45.65 87.01 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.246 -0.909 . . . . 0.0 109.454 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 7.6 t -70.56 -37.04 73.96 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.445 -0.784 . . . . 0.0 110.536 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -61.23 -40.25 93.3 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.052 -1.03 . . . . 0.0 110.132 -178.674 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -110.16 1.6 18.87 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.587 -0.696 . . . . 0.0 109.527 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . 0.504 ' N ' ' O ' ' B' ' 23' ' ' ALA . 15.3 m120 54.16 48.34 21.15 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.376 -0.827 . . . . 0.0 109.86 179.645 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 47.2 mt -113.57 152.75 45.66 Favored Pre-proline 0 N--CA 1.503 2.195 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -59.72 162.25 16.08 Favored 'Trans proline' 0 C--N 1.312 -1.379 0 C-N-CA 121.349 1.366 . . . . 0.0 111.115 179.567 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . 0.442 ' O ' ' N ' ' B' ' 34' ' ' LYS . 14.1 Cg_endo -56.88 -29.93 83.62 Favored 'Trans proline' 0 C--N 1.302 -1.915 0 C-N-CA 122.461 2.107 . . . . 0.0 111.628 179.393 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 96.1 t -57.13 -47.88 83.04 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.572 0 O-C-N 121.228 -0.92 . . . . 0.0 109.861 -179.419 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 57.3 t -70.01 -48.38 63.18 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.801 0 C-N-CA 118.591 -1.244 . . . . 0.0 108.959 -179.645 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.09 -43.53 91.82 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.393 -0.817 . . . . 0.0 110.653 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' B' ' 30' ' ' PRO . 19.9 mmmt -62.97 -36.13 82.47 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.739 -1.226 . . . . 0.0 109.719 179.807 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.4 tm-20 -61.21 -40.06 92.54 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.385 -0.822 . . . . 0.0 110.101 -179.064 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 23.3 mt -60.38 -40.01 82.72 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 120.774 -1.204 . . . . 0.0 108.576 179.445 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 63.1 t -63.4 -38.83 83.22 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 121.272 -0.892 . . . . 0.0 109.242 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . 0.503 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -61.1 -34.7 75.36 Favored 'General case' 0 C--N 1.298 -1.653 0 O-C-N 121.445 -0.784 . . . . 0.0 110.223 -179.744 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 56.7 m -76.11 -27.6 57.17 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.304 -0.873 . . . . 0.0 110.18 -179.117 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 44.0 t -80.37 104.56 11.0 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.118 -0.989 . . . . 0.0 109.56 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 80.9 m-20 -60.11 -31.77 70.37 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.454 -0.779 . . . . 0.0 110.829 -179.657 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -68.74 -42.53 77.45 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.756 -1.215 . . . . 0.0 110.138 -179.148 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 84.6 m -85.44 -31.89 22.6 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.94 -1.1 . . . . 0.0 110.549 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . 0.503 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 49.5 tt0 -69.53 -52.08 29.65 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.047 -1.033 . . . . 0.0 110.754 -178.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 65.9 mt -86.83 55.75 3.7 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.337 -0.852 . . . . 0.0 108.706 179.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 17.8 ptmt -83.69 150.58 25.77 Favored 'General case' 0 C--N 1.296 -1.744 0 CA-C-O 121.435 0.636 . . . . 0.0 110.037 -178.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 84.68 -175.76 50.77 Favored Glycine 0 N--CA 1.493 2.485 0 N-CA-C 109.713 -1.355 . . . . 0.0 109.713 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 6.9 mp0 -97.58 134.85 40.25 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.4 -1.059 . . . . 0.0 109.133 179.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.75 -123.77 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.725 0 O-C-N 120.977 -1.077 . . . . 0.0 109.519 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 50' ' ' MET . . . . . 0.466 ' SD ' ' N ' ' B' ' 50' ' ' MET . 0.0 OUTLIER -58.74 -83.53 0.01 OUTLIER 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.33 -0.856 . . . . 0.0 108.911 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 51' ' ' HIS . . . . . 0.415 ' C ' ' O ' ' B' ' 50' ' ' MET . 31.3 t60 42.15 56.34 3.63 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.507 -0.745 . . . . 0.0 109.527 -179.77 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -175.43 65.78 0.1 OUTLIER Glycine 0 N--CA 1.487 2.053 0 C-N-CA 119.505 -1.331 . . . . 0.0 110.125 -179.354 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . 0.473 ' HG2' ' H ' ' B' ' 54' ' ' VAL . 19.4 tt0 -165.17 -175.58 3.72 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.223 -1.163 . . . . 0.0 108.462 -179.82 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.473 ' H ' ' HG2' ' B' ' 53' ' ' GLN . 48.4 t 58.76 166.92 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 O-C-N 121.304 -0.872 . . . . 0.0 109.416 -179.836 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 . . . . . 0 C--N 1.305 -1.341 0 CA-C-O 118.189 -0.91 . . . . 0.0 109.262 -179.231 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 . . . . . 0 N--CA 1.492 1.63 0 CA-C-O 121.04 0.448 . . . . 0.0 110.289 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 40.4 mt -74.55 -19.59 60.28 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.078 -1.014 . . . . 0.0 111.532 -178.161 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.51 ' CG ' ' H ' ' A' ' 4' ' ' GLY . 31.5 p-10 -67.94 -61.35 1.91 Allowed 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.83 -1.169 . . . . 0.0 111.367 -178.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.51 ' H ' ' CG ' ' A' ' 3' ' ' ASP . . . -63.36 -41.57 99.4 Favored Glycine 0 N--CA 1.493 2.475 0 C-N-CA 119.881 -1.152 . . . . 0.0 110.275 -179.116 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.461 ' O ' ' N ' ' A' ' 9' ' ' GLN . 97.0 mt -59.04 -40.53 80.96 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.547 0 O-C-N 121.134 -1.215 . . . . 0.0 110.702 -179.399 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 60.9 t0 -55.6 -47.81 75.88 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.831 -1.168 . . . . 0.0 109.055 -179.455 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 7.3 tmtt? -68.98 -47.75 64.8 Favored 'General case' 0 C--N 1.298 -1.661 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 179.295 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.93 -33.37 74.15 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.259 -0.901 . . . . 0.0 110.184 179.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.461 ' N ' ' O ' ' A' ' 5' ' ' ILE . 7.2 tt0 -59.14 -39.82 83.59 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.12 -0.988 . . . . 0.0 109.028 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -60.02 -42.27 93.96 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.435 -0.791 . . . . 0.0 109.052 179.151 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.7 tm-20 -60.02 -40.21 88.49 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.232 -0.918 . . . . 0.0 109.277 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.52 ' O ' ' N ' ' A' ' 16' ' ' HIS . 13.9 t60 -63.04 -43.85 97.51 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.104 -0.997 . . . . 0.0 109.896 179.492 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 -61.44 -43.26 99.18 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.247 -0.908 . . . . 0.0 110.145 -179.475 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 52.3 mtpt -62.02 -35.82 79.7 Favored 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 112.689 0.626 . . . . 0.0 112.689 -178.174 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -135.4 -4.56 2.33 Favored 'General case' 0 N--CA 1.506 2.349 0 O-C-N 120.765 -1.21 . . . . 0.0 112.87 -176.667 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.52 ' N ' ' O ' ' A' ' 12' ' ' HIS . 89.3 m-70 55.65 40.73 30.97 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 120.622 -1.299 . . . . 0.0 107.523 -177.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 78.8 p -60.52 156.82 15.46 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.535 -0.728 . . . . 0.0 110.766 -178.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 -73.64 156.45 37.99 Favored 'General case' 0 N--CA 1.49 1.572 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 179.251 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 44.8 p-90 -57.89 -30.19 65.66 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.104 -0.998 . . . . 0.0 110.211 -179.58 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -62.41 -40.2 95.77 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.845 -1.159 . . . . 0.0 109.524 179.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.29 -49.48 55.57 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.52 -0.738 . . . . 0.0 109.448 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 77.4 mtm -60.19 -40.37 89.81 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.025 -1.047 . . . . 0.0 109.43 178.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.421 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -57.29 -49.2 76.82 Favored 'General case' 0 C--N 1.303 -1.435 0 C-N-CA 119.171 -1.012 . . . . 0.0 108.764 -179.562 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 42.1 m -70.42 -34.05 72.06 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.665 -0.647 . . . . 0.0 110.389 179.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 84.4 m-20 -60.02 -42.03 93.44 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.963 -1.086 . . . . 0.0 109.941 -178.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -110.78 1.8 18.0 Favored 'General case' 0 N--CA 1.504 2.235 0 O-C-N 121.283 -0.886 . . . . 0.0 110.77 -179.633 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.421 ' N ' ' O ' ' A' ' 23' ' ' ALA . 56.2 m-20 58.89 48.61 10.86 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.282 -0.886 . . . . 0.0 109.758 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 80.8 mt -114.07 150.56 43.78 Favored Pre-proline 0 N--CA 1.503 2.205 0 O-C-N 121.475 -0.765 . . . . 0.0 108.974 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -60.35 160.69 22.54 Favored 'Trans proline' 0 N--CA 1.488 1.198 0 C-N-CA 121.753 1.635 . . . . 0.0 111.599 179.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -55.23 -36.2 92.86 Favored 'Trans proline' 0 C--N 1.308 -1.578 0 C-N-CA 122.858 2.372 . . . . 0.0 112.31 -179.05 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 98.4 t -56.71 -46.73 83.14 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.649 0 O-C-N 121.133 -0.979 . . . . 0.0 109.41 -179.127 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 60.8 t -68.14 -50.08 61.6 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.788 0 C-N-CA 118.169 -1.413 . . . . 0.0 109.629 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.07 -47.93 80.82 Favored 'General case' 0 C--N 1.298 -1.647 0 O-C-N 121.337 -0.852 . . . . 0.0 110.11 -179.694 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -62.11 -35.9 80.11 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.706 -1.246 . . . . 0.0 110.399 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.3 tm-20 -60.43 -39.55 87.87 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.115 -0.991 . . . . 0.0 109.696 -179.042 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 73.9 mt -60.48 -40.36 84.05 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.391 0 O-C-N 120.718 -1.239 . . . . 0.0 109.165 179.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 90.8 t -63.43 -39.06 83.88 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.398 0 N-CA-C 108.601 -0.889 . . . . 0.0 108.601 178.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.83 -31.81 71.21 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.569 -0.707 . . . . 0.0 109.441 179.65 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 26.7 m -78.39 -24.72 46.15 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.204 -0.935 . . . . 0.0 109.406 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 43.4 t -82.64 102.2 11.31 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.285 -0.885 . . . . 0.0 109.124 179.463 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 81.7 m-20 -59.67 -30.41 68.74 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.513 -0.742 . . . . 0.0 110.514 -179.554 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 59.6 mttp -69.95 -41.28 74.75 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.94 -1.1 . . . . 0.0 110.886 -178.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 92.8 m -87.03 -19.21 28.98 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 120.912 -1.118 . . . . 0.0 110.192 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -74.27 -61.5 1.84 Allowed 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.182 -0.949 . . . . 0.0 110.929 -178.166 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 89.2 mt -82.18 61.62 5.52 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.078 -1.014 . . . . 0.0 110.097 -178.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.467 ' C ' ' H ' ' A' ' 48' ' ' GLU . 22.6 tptm -93.97 118.76 31.94 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.498 -0.751 . . . . 0.0 109.412 179.292 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 68.89 -9.55 1.93 Allowed Glycine 0 N--CA 1.493 2.44 0 N-CA-C 110.305 -1.118 . . . . 0.0 110.305 179.114 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.467 ' H ' ' C ' ' A' ' 46' ' ' LYS . 71.4 mm-40 -84.54 132.22 34.55 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.176 -1.191 . . . . 0.0 109.553 -179.571 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 176.71 143.49 0.08 Allowed 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.082 -1.011 . . . . 0.0 110.114 179.646 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.456 ' SD ' ' N ' ' A' ' 52' ' ' GLY . 0.9 OUTLIER -90.82 137.58 32.25 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.34 -0.85 . . . . 0.0 109.065 179.29 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.521 ' CG ' ' O ' ' A' ' 51' ' ' HIS . 46.4 p-80 -132.13 76.97 1.73 Allowed 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.441 -0.787 . . . . 0.0 109.158 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.456 ' N ' ' SD ' ' A' ' 50' ' ' MET . . . -72.42 -176.49 28.68 Favored Glycine 0 N--CA 1.492 2.37 0 N-CA-C 109.354 -1.498 . . . . 0.0 109.354 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.432 ' O ' ' O ' ' A' ' 54' ' ' VAL . 13.8 pt20 -85.35 133.73 34.12 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.131 -1.217 . . . . 0.0 109.126 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.432 ' O ' ' O ' ' A' ' 53' ' ' GLN . 10.5 t 57.55 161.18 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 O-C-N 121.42 -0.8 . . . . 0.0 109.322 -179.423 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 46.6 t0 . . . . . 0 N--CA 1.493 1.691 0 CA-C-O 118.03 -0.986 . . . . 0.0 109.711 -179.413 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 . . . . . 0 N--CA 1.495 1.798 0 CA-C-O 121.284 0.564 . . . . 0.0 109.871 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 40.1 mt -74.72 -19.64 60.16 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.148 -0.97 . . . . 0.0 111.025 -178.597 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . 0.513 ' CG ' ' H ' ' B' ' 4' ' ' GLY . 27.7 p-10 -67.76 -62.17 1.54 Allowed 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.625 -1.297 . . . . 0.0 111.448 -178.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . 0.513 ' H ' ' CG ' ' B' ' 3' ' ' ASP . . . -62.82 -41.27 99.89 Favored Glycine 0 N--CA 1.494 2.545 0 N-CA-C 110.098 -1.201 . . . . 0.0 110.098 -179.092 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . 0.48 ' O ' ' N ' ' B' ' 9' ' ' GLN . 97.2 mt -59.43 -39.8 80.08 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.604 0 O-C-N 121.402 -1.058 . . . . 0.0 111.101 -179.309 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 61.1 t0 -56.93 -47.37 80.76 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.531 -1.356 . . . . 0.0 108.748 -179.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 6.9 tmtt? -68.73 -48.34 64.04 Favored 'General case' 0 C--N 1.3 -1.562 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 179.033 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.01 -34.56 75.02 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.284 -0.885 . . . . 0.0 110.019 179.707 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . 0.48 ' N ' ' O ' ' B' ' 5' ' ' ILE . 6.9 tt0 -57.93 -40.45 80.48 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.035 -1.041 . . . . 0.0 109.176 -179.643 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -60.21 -41.13 92.37 Favored 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 119.357 -0.937 . . . . 0.0 109.205 179.548 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 14.3 tm-20 -60.03 -40.99 91.23 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.163 -0.961 . . . . 0.0 109.024 179.562 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . 0.555 ' O ' ' N ' ' B' ' 16' ' ' HIS . 14.6 t60 -62.3 -43.46 98.77 Favored 'General case' 0 C--N 1.304 -1.398 0 C-N-CA 119.344 -0.942 . . . . 0.0 110.024 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -61.65 -43.34 99.05 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.187 -0.946 . . . . 0.0 110.411 -179.627 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 54.0 mtpt -62.31 -34.97 77.64 Favored 'General case' 0 C--N 1.296 -1.722 0 O-C-N 121.554 -0.716 . . . . 0.0 112.749 -178.12 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 -136.21 -3.29 2.21 Favored 'General case' 0 N--CA 1.505 2.323 0 O-C-N 120.975 -1.078 . . . . 0.0 112.684 -176.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.555 ' N ' ' O ' ' B' ' 12' ' ' HIS . 88.4 m-70 54.12 41.38 32.04 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.56 -1.338 . . . . 0.0 107.396 -177.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 84.1 p -60.65 158.2 13.04 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.499 -0.751 . . . . 0.0 110.585 -178.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -74.59 156.72 36.48 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 179.255 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 42.2 p-90 -58.18 -29.89 65.98 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.943 -1.098 . . . . 0.0 110.289 -179.619 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -62.88 -39.72 95.3 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.778 -1.201 . . . . 0.0 109.648 179.64 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.28 -48.92 60.32 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.494 -0.753 . . . . 0.0 109.468 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 78.1 mtm -60.45 -40.18 90.23 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.055 -1.028 . . . . 0.0 109.063 179.184 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . 0.423 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -57.49 -49.62 75.71 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 119.432 -0.907 . . . . 0.0 108.991 -179.849 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 47.1 m -70.81 -32.61 69.73 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.46 -0.775 . . . . 0.0 110.399 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -61.22 -41.6 97.14 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.975 -1.078 . . . . 0.0 110.411 -178.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -111.5 1.99 17.2 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.533 -0.729 . . . . 0.0 110.579 -179.536 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . 0.423 ' N ' ' O ' ' B' ' 23' ' ' ALA . 61.0 m-20 58.48 49.85 10.09 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.389 -0.82 . . . . 0.0 109.717 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 80.0 mt -114.47 150.89 44.59 Favored Pre-proline 0 N--CA 1.501 2.08 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 179.626 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_endo -61.29 160.49 26.77 Favored 'Trans proline' 0 N--CA 1.491 1.364 0 C-N-CA 121.713 1.609 . . . . 0.0 111.589 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_endo -55.06 -35.66 90.92 Favored 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.845 2.363 . . . . 0.0 112.536 -179.055 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 88.2 t -56.92 -47.45 83.17 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.749 0 O-C-N 120.936 -1.102 . . . . 0.0 109.377 -179.372 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 59.5 t -67.46 -50.89 57.67 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.867 0 C-N-CA 118.108 -1.437 . . . . 0.0 109.715 -179.661 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.45 -46.78 86.96 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.179 -0.95 . . . . 0.0 110.544 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -62.68 -36.71 83.8 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.783 -1.198 . . . . 0.0 110.344 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 13.5 tm-20 -59.79 -39.47 85.07 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.035 -1.041 . . . . 0.0 109.822 -178.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 77.0 mt -60.46 -40.37 84.02 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.471 0 O-C-N 120.812 -1.18 . . . . 0.0 109.167 179.709 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 90.8 t -63.62 -39.23 84.57 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.546 0 N-CA-C 108.55 -0.908 . . . . 0.0 108.55 179.108 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . 0.494 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -60.32 -31.95 70.77 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.273 -0.892 . . . . 0.0 109.286 179.576 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 31.5 m -78.06 -24.15 47.81 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.242 -0.911 . . . . 0.0 109.593 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 42.0 t -83.45 102.09 11.83 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.272 -0.893 . . . . 0.0 108.797 179.358 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -60.02 -29.24 68.37 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.452 -0.78 . . . . 0.0 110.349 -179.295 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 60.7 mttp -70.92 -40.66 71.98 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.911 -1.118 . . . . 0.0 110.807 -178.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 93.6 m -87.36 -19.13 28.59 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 120.839 -1.163 . . . . 0.0 109.906 179.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . 0.494 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 44.6 tt0 -73.99 -62.99 1.31 Allowed 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.101 -0.999 . . . . 0.0 111.008 -178.256 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 89.3 mt -81.09 62.51 5.08 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.118 -0.989 . . . . 0.0 109.955 -179.108 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . 0.445 ' C ' ' H ' ' B' ' 48' ' ' GLU . 23.1 tptm -95.1 117.53 30.36 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.477 -0.765 . . . . 0.0 109.12 179.45 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 69.29 -8.19 3.0 Favored Glycine 0 N--CA 1.491 2.316 0 N-CA-C 110.268 -1.133 . . . . 0.0 110.268 179.538 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . 0.445 ' H ' ' C ' ' B' ' 46' ' ' LYS . 74.8 mm-40 -85.98 130.18 34.62 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.96 -1.318 . . . . 0.0 109.913 -179.416 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . 178.09 146.04 0.13 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.994 -1.066 . . . . 0.0 110.281 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 50' ' ' MET . . . . . 0.44 ' SD ' ' N ' ' B' ' 52' ' ' GLY . 0.9 OUTLIER -92.82 136.44 33.24 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.514 -0.741 . . . . 0.0 109.136 179.167 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 51' ' ' HIS . . . . . 0.521 ' O ' ' CG ' ' B' ' 51' ' ' HIS . 45.0 p-80 -130.97 77.08 1.76 Allowed 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.631 -0.668 . . . . 0.0 109.288 -179.81 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . 0.44 ' N ' ' SD ' ' B' ' 50' ' ' MET . . . -72.6 -175.79 27.99 Favored Glycine 0 N--CA 1.491 2.348 0 N-CA-C 109.379 -1.488 . . . . 0.0 109.379 -179.85 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . 0.434 ' O ' ' O ' ' B' ' 54' ' ' VAL . 13.3 pt20 -85.8 133.61 33.97 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.243 -1.151 . . . . 0.0 108.898 179.481 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.434 ' O ' ' O ' ' B' ' 53' ' ' GLN . 9.6 t 57.78 160.52 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 121.362 -0.837 . . . . 0.0 109.347 -179.55 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 51.0 t0 . . . . . 0 N--CA 1.495 1.805 0 CA-C-O 118.005 -0.998 . . . . 0.0 110.055 -179.265 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 67.8 m-85 . . . . . 0 N--CA 1.493 1.693 0 CA-C-O 121.7 0.762 . . . . 0.0 109.987 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 41.6 mt -69.97 -35.83 74.74 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.411 -0.805 . . . . 0.0 111.049 -178.27 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -67.09 -54.2 23.73 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.026 -1.046 . . . . 0.0 110.805 -178.48 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.45 -46.18 94.35 Favored Glycine 0 N--CA 1.49 2.258 0 N-CA-C 109.783 -1.327 . . . . 0.0 109.783 -179.603 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 85.7 mt -59.8 -39.86 81.02 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.443 0 O-C-N 121.622 -0.928 . . . . 0.0 110.005 -179.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -53.51 -44.8 69.38 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 120.971 -1.081 . . . . 0.0 109.351 -179.245 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -69.46 -42.16 75.27 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.126 -0.984 . . . . 0.0 109.424 179.275 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.46 -37.34 82.78 Favored 'General case' 0 C--N 1.3 -1.567 0 C-N-CA 120.066 -0.654 . . . . 0.0 109.294 179.671 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -56.32 -41.36 75.9 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.527 -0.733 . . . . 0.0 109.1 -179.239 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 27.4 tp10 -61.98 -40.27 95.05 Favored 'General case' 0 C--N 1.305 -1.33 0 C-N-CA 118.931 -1.107 . . . . 0.0 108.605 179.025 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 22.3 tp10 -61.34 -40.42 94.18 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.358 -0.839 . . . . 0.0 109.467 179.489 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.505 ' O ' ' N ' ' A' ' 16' ' ' HIS . 16.3 t60 -62.41 -45.5 92.84 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.243 -0.91 . . . . 0.0 109.666 179.798 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -60.22 -40.5 90.37 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.35 -0.844 . . . . 0.0 110.454 -179.251 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt -63.58 -39.85 95.45 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.522 -0.736 . . . . 0.0 112.884 -178.383 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -132.34 -0.16 3.66 Favored 'General case' 0 N--CA 1.507 2.419 0 O-C-N 121.031 -1.043 . . . . 0.0 112.562 -176.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.505 ' N ' ' O ' ' A' ' 12' ' ' HIS . 86.5 m-70 52.65 42.32 31.55 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.37 -1.456 . . . . 0.0 107.417 -177.832 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 79.5 p -62.99 153.86 32.46 Favored 'General case' 0 C--N 1.3 -1.564 0 C-N-CA 120.131 -0.628 . . . . 0.0 110.164 -178.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -74.15 161.17 30.26 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.428 -0.795 . . . . 0.0 109.127 179.593 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 39.4 p-90 -58.04 -30.26 66.02 Favored 'General case' 0 N--CA 1.49 1.545 0 C-N-CA 119.829 -0.748 . . . . 0.0 110.514 -179.285 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 84.4 mtm180 -63.89 -40.48 96.62 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.975 -1.078 . . . . 0.0 109.857 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.33 -48.23 62.05 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.439 -0.788 . . . . 0.0 109.521 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 74.5 mtm -61.55 -40.66 95.48 Favored 'General case' 0 C--N 1.297 -1.678 0 O-C-N 121.543 -0.723 . . . . 0.0 109.567 179.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.474 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -57.97 -48.03 81.21 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.151 -0.968 . . . . 0.0 109.082 179.795 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 8.6 t -69.72 -36.48 75.92 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.042 -1.036 . . . . 0.0 110.216 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 81.7 m-20 -60.04 -40.38 89.18 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.309 -0.869 . . . . 0.0 110.536 -179.176 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -111.51 3.17 17.85 Favored 'General case' 0 N--CA 1.503 2.206 0 O-C-N 121.315 -0.866 . . . . 0.0 110.077 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.474 ' N ' ' O ' ' A' ' 23' ' ' ALA . 48.9 m-20 55.74 48.08 19.09 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.517 -0.739 . . . . 0.0 109.923 179.453 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 80.4 mt -113.67 151.82 44.93 Favored Pre-proline 0 N--CA 1.5 2.041 0 O-C-N 121.185 -0.947 . . . . 0.0 108.966 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 28.2 Cg_endo -61.97 148.96 92.08 Favored 'Trans proline' 0 N--CA 1.491 1.356 0 C-N-CA 121.501 1.467 . . . . 0.0 111.638 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_exo -41.79 -38.28 4.5 Favored 'Trans proline' 0 C--N 1.312 -1.358 0 C-N-CA 122.16 1.907 . . . . 0.0 111.925 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 77.1 t -52.79 -51.54 35.41 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.705 0 O-C-N 121.366 -0.834 . . . . 0.0 110.367 -178.648 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 77.0 t -66.02 -47.34 85.44 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.013 0 C-N-CA 118.091 -1.444 . . . . 0.0 109.557 -179.029 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.49 -45.36 83.93 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.244 -0.91 . . . . 0.0 110.31 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 40.2 mtmt -63.3 -36.07 82.46 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 120.778 -1.201 . . . . 0.0 110.758 -179.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.2 tm-20 -60.51 -37.86 82.5 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 119.053 -1.059 . . . . 0.0 109.372 -179.112 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 62.8 mt -60.04 -39.91 81.69 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 120.859 -1.151 . . . . 0.0 108.632 179.267 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 92.3 t -63.39 -38.28 81.75 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 179.013 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.54 -32.18 70.09 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.698 -0.627 . . . . 0.0 109.364 179.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 59.3 m -79.53 -26.85 41.38 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.133 -0.98 . . . . 0.0 109.279 179.606 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 41.5 t -82.28 102.36 11.13 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.087 -1.008 . . . . 0.0 109.354 179.682 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -60.0 -31.45 69.94 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.518 -0.739 . . . . 0.0 110.427 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -69.23 -43.02 74.89 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.918 -1.114 . . . . 0.0 110.645 -178.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 98.9 m -84.96 -19.12 32.61 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.703 -1.248 . . . . 0.0 109.828 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -75.38 -69.82 0.46 Allowed 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.122 -0.986 . . . . 0.0 109.743 -179.414 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 32.0 mt -82.86 85.98 7.01 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 120.917 -1.114 . . . . 0.0 108.309 179.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 18.9 tptm -93.73 -17.49 23.12 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.323 -0.86 . . . . 0.0 109.452 -179.682 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 170.0 -14.38 0.06 OUTLIER Glycine 0 N--CA 1.485 1.942 0 N-CA-C 108.703 -1.759 . . . . 0.0 108.703 -179.277 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 79.4 tt0 -70.59 -3.57 18.85 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.263 -1.14 . . . . 0.0 108.073 179.281 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.91 156.58 11.23 Favored 'General case' 0 N--CA 1.491 1.607 0 CA-C-O 121.746 0.784 . . . . 0.0 109.725 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 20.4 ttt -55.75 -30.9 62.0 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.439 -0.788 . . . . 0.0 110.038 -179.526 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.683 ' CG ' ' H ' ' A' ' 52' ' ' GLY . 26.4 t60 45.26 -161.8 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.102 -0.998 . . . . 0.0 109.45 179.796 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.683 ' H ' ' CG ' ' A' ' 51' ' ' HIS . . . -179.47 172.63 44.53 Favored Glycine 0 N--CA 1.492 2.388 0 C-N-CA 119.472 -1.347 . . . . 0.0 110.081 179.536 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -153.4 97.56 2.16 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.629 -0.924 . . . . 0.0 108.797 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.469 HG11 ' H ' ' A' ' 55' ' ' ASP . 1.9 t 48.52 -149.26 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.815 0 O-C-N 121.098 -1.001 . . . . 0.0 109.046 -179.574 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.469 ' H ' HG11 ' A' ' 54' ' ' VAL . 96.8 m-20 . . . . . 0 N--CA 1.495 1.788 0 O-C-N 120.867 -1.146 . . . . 0.0 109.692 -179.685 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 121.694 0.759 . . . . 0.0 110.037 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 38.7 mt -70.85 -36.01 72.68 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.446 -0.784 . . . . 0.0 111.362 -177.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 51.0 t0 -66.93 -52.42 43.23 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.978 -1.076 . . . . 0.0 111.083 -178.583 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.6 -44.87 94.41 Favored Glycine 0 N--CA 1.49 2.246 0 N-CA-C 109.831 -1.308 . . . . 0.0 109.831 -179.418 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . 0.406 ' O ' ' N ' ' B' ' 9' ' ' GLN . 86.9 mt -60.14 -39.53 80.81 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.491 -1.005 . . . . 0.0 109.97 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 61.6 t0 -53.64 -45.12 70.08 Favored 'General case' 0 C--N 1.3 -1.579 0 C-N-CA 119.555 -0.858 . . . . 0.0 109.144 -179.058 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 62.1 mttp -69.48 -42.11 75.26 Favored 'General case' 0 C--N 1.301 -1.531 0 C-N-CA 119.306 -0.958 . . . . 0.0 109.223 179.333 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.61 -36.47 80.91 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.589 -0.694 . . . . 0.0 109.219 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . 0.406 ' N ' ' O ' ' B' ' 5' ' ' ILE . 58.3 tt0 -57.31 -41.51 80.04 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.468 -0.77 . . . . 0.0 109.169 -179.451 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 28.9 tp10 -61.87 -40.4 95.25 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.009 -1.057 . . . . 0.0 108.464 178.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 21.8 tp10 -61.79 -40.3 94.72 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.478 -0.764 . . . . 0.0 109.613 179.39 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . 0.542 ' O ' ' N ' ' B' ' 16' ' ' HIS . 15.8 t60 -62.22 -45.3 93.98 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.117 -0.989 . . . . 0.0 109.575 179.639 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -60.28 -42.13 94.79 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.482 -0.761 . . . . 0.0 110.291 -178.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -62.11 -37.55 85.53 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.488 -0.758 . . . . 0.0 112.945 -178.579 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -134.32 -1.32 2.89 Favored 'General case' 0 N--CA 1.505 2.275 0 O-C-N 121.032 -1.043 . . . . 0.0 113.004 -176.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.542 ' N ' ' O ' ' B' ' 12' ' ' HIS . 88.0 m-70 53.43 41.18 32.14 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.443 -1.41 . . . . 0.0 107.524 -177.471 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 79.8 p -62.32 154.37 28.08 Favored 'General case' 0 C--N 1.304 -1.403 0 C-N-CA 119.974 -0.69 . . . . 0.0 110.145 -178.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -74.75 162.94 28.23 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.113 -0.992 . . . . 0.0 109.363 179.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 34.4 p-90 -59.29 -29.99 68.0 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.37 -0.831 . . . . 0.0 110.398 -179.479 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 85.1 mtm180 -64.33 -41.23 96.9 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 120.678 -1.264 . . . . 0.0 110.034 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.79 -48.97 62.31 Favored 'General case' 0 C--N 1.303 -1.433 0 C-N-CA 119.854 -0.738 . . . . 0.0 109.109 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 74.4 mtm -60.92 -42.12 97.5 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.347 -0.845 . . . . 0.0 109.502 179.666 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . 0.465 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -56.72 -47.91 78.91 Favored 'General case' 0 C--N 1.299 -1.595 0 C-N-CA 119.376 -0.93 . . . . 0.0 109.062 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 8.4 t -69.69 -37.46 76.62 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.072 -1.018 . . . . 0.0 110.032 -179.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -59.01 -40.25 84.36 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.162 -0.961 . . . . 0.0 110.286 -178.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -111.08 2.34 17.86 Favored 'General case' 0 N--CA 1.504 2.273 0 O-C-N 121.326 -0.859 . . . . 0.0 110.352 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . 0.465 ' N ' ' O ' ' B' ' 23' ' ' ALA . 51.4 m-20 56.07 48.91 16.68 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.405 -0.809 . . . . 0.0 109.917 179.743 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 79.7 mt -115.13 152.27 46.52 Favored Pre-proline 0 N--CA 1.501 2.082 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_endo -61.54 150.48 85.16 Favored 'Trans proline' 0 N--CA 1.494 1.512 0 C-N-CA 121.651 1.568 . . . . 0.0 111.717 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -42.8 -39.3 7.35 Favored 'Trans proline' 0 N--CA 1.488 1.167 0 C-N-CA 121.992 1.795 . . . . 0.0 111.867 179.422 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 70.4 t -51.93 -51.26 30.0 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 121.197 -0.94 . . . . 0.0 110.666 -178.56 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 63.7 t -66.74 -45.91 86.93 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.953 0 C-N-CA 118.314 -1.355 . . . . 0.0 109.455 -179.207 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.07 -46.18 78.64 Favored 'General case' 0 C--N 1.299 -1.587 0 C-N-CA 119.774 -0.771 . . . . 0.0 110.119 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 41.0 mtmt -63.24 -36.1 82.54 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 120.57 -1.331 . . . . 0.0 110.89 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -60.35 -38.44 83.8 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 120.763 -1.21 . . . . 0.0 109.592 -178.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 68.3 mt -59.71 -40.19 81.72 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.344 0 C-N-CA 118.908 -1.117 . . . . 0.0 108.209 179.375 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 95.9 t -63.02 -38.03 80.92 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.852 0 O-C-N 121.342 -0.849 . . . . 0.0 108.847 179.039 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . 0.545 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -59.62 -31.98 70.0 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 179.685 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 49.5 m -79.47 -27.99 41.57 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.232 -0.918 . . . . 0.0 109.287 179.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 40.8 t -82.08 101.19 10.22 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.318 -0.864 . . . . 0.0 109.1 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -59.57 -31.56 69.55 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.29 -0.881 . . . . 0.0 110.466 -179.425 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -68.56 -41.13 80.2 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.714 -1.241 . . . . 0.0 110.874 -178.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 97.2 m -86.75 -19.56 28.93 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.938 -1.101 . . . . 0.0 109.535 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . 0.545 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 7.2 tt0 -74.92 -69.1 0.49 Allowed 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.22 -0.925 . . . . 0.0 109.582 -179.509 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 29.1 mt -83.03 86.35 7.01 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.946 -1.096 . . . . 0.0 108.408 179.316 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 19.1 tptm -95.25 -16.33 22.55 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.298 -0.877 . . . . 0.0 109.587 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 169.24 -13.11 0.06 OUTLIER Glycine 0 N--CA 1.488 2.165 0 N-CA-C 109.056 -1.618 . . . . 0.0 109.056 -179.382 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 78.5 tt0 -72.7 -4.45 31.29 Favored 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 179.566 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.96 158.05 7.09 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.435 -0.791 . . . . 0.0 109.635 179.727 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 19.5 ttt -56.89 -31.07 64.49 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.723 -0.61 . . . . 0.0 110.179 -179.526 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 51' ' ' HIS . . . . . 0.678 ' CG ' ' H ' ' B' ' 52' ' ' GLY . 22.6 t60 46.56 -161.22 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.332 -0.855 . . . . 0.0 109.523 -179.841 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . 0.678 ' H ' ' CG ' ' B' ' 51' ' ' HIS . . . 179.55 168.91 39.17 Favored Glycine 0 N--CA 1.487 2.066 0 N-CA-C 109.865 -1.294 . . . . 0.0 109.865 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -151.22 97.73 2.46 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.426 -1.044 . . . . 0.0 108.498 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.472 HG11 ' H ' ' B' ' 55' ' ' ASP . 1.9 t 48.51 -148.71 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.817 0 O-C-N 121.197 -0.939 . . . . 0.0 108.925 -179.655 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . 0.472 ' H ' HG11 ' B' ' 54' ' ' VAL . 93.2 m-20 . . . . . 0 N--CA 1.489 1.495 0 CA-C-O 117.945 -1.026 . . . . 0.0 108.988 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 . . . . . 0 N--CA 1.493 1.678 0 CA-C-O 121.462 0.649 . . . . 0.0 109.726 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 16.7 mt -71.8 -33.62 68.71 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.446 -0.783 . . . . 0.0 111.658 -178.037 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.507 ' OD1' ' N ' ' A' ' 3' ' ' ASP . 18.8 p-10 -68.94 -57.72 5.11 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 120.935 -1.103 . . . . 0.0 111.873 -178.183 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.461 ' H ' ' CG ' ' A' ' 3' ' ' ASP . . . -63.28 -44.4 97.04 Favored Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.68 -1.368 . . . . 0.0 109.68 -178.776 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.503 ' O ' ' N ' ' A' ' 9' ' ' GLN . 82.8 mt -58.93 -40.13 79.58 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.586 0 O-C-N 121.154 -1.203 . . . . 0.0 109.957 -179.514 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -55.39 -44.02 75.73 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 120.609 -1.307 . . . . 0.0 108.975 -179.423 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -70.26 -47.46 61.21 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.308 -0.87 . . . . 0.0 109.14 178.687 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.27 -34.34 77.88 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.292 -0.88 . . . . 0.0 109.659 179.638 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.503 ' N ' ' O ' ' A' ' 5' ' ' ILE . 56.1 tt0 -56.93 -40.49 76.47 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.326 -0.859 . . . . 0.0 109.424 179.836 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -61.72 -41.25 97.37 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.174 -0.954 . . . . 0.0 108.947 179.433 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.4 tm-20 -60.45 -41.84 94.93 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.517 -0.739 . . . . 0.0 109.764 179.684 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.572 ' O ' ' N ' ' A' ' 16' ' ' HIS . 17.4 t60 -60.25 -40.82 91.65 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.19 -0.944 . . . . 0.0 109.449 -179.722 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -61.74 -45.68 92.91 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.664 -0.647 . . . . 0.0 110.637 -179.023 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 33.8 mtmm -62.39 -39.81 94.43 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.185 -0.947 . . . . 0.0 112.458 -178.328 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 49.3 m-85 -126.58 -4.6 6.53 Favored 'General case' 0 N--CA 1.506 2.37 0 O-C-N 120.952 -1.093 . . . . 0.0 113.073 -176.345 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.572 ' N ' ' O ' ' A' ' 12' ' ' HIS . 92.8 m-70 51.78 40.39 27.57 Favored 'General case' 0 N--CA 1.497 1.879 0 N-CA-C 106.777 -1.564 . . . . 0.0 106.777 -176.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 95.4 p -61.36 155.92 20.28 Favored 'General case' 0 C--N 1.303 -1.451 0 CA-C-O 121.438 0.637 . . . . 0.0 110.594 -177.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -73.75 160.79 31.0 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.587 -0.696 . . . . 0.0 109.209 179.691 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 38.6 p-90 -57.98 -30.29 65.92 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.053 -1.029 . . . . 0.0 110.416 -179.435 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 58.0 mtp180 -63.47 -39.9 95.67 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.044 -1.035 . . . . 0.0 109.674 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.15 -49.08 60.04 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.256 -0.902 . . . . 0.0 108.612 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 77.2 mtm -60.08 -40.74 90.61 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.448 -0.782 . . . . 0.0 109.859 179.416 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.504 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -59.63 -48.8 80.25 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.248 -0.908 . . . . 0.0 108.896 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 40.7 t -68.51 -36.47 78.94 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.405 -0.809 . . . . 0.0 110.342 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -60.49 -39.98 89.67 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.211 -0.931 . . . . 0.0 110.546 -178.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -111.85 0.16 16.06 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.48 -0.763 . . . . 0.0 109.619 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.504 ' N ' ' O ' ' A' ' 23' ' ' ALA . 38.0 t-20 58.49 50.44 9.26 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.39 -0.819 . . . . 0.0 109.848 179.151 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 76.0 mt -119.56 152.38 53.04 Favored Pre-proline 0 N--CA 1.5 2.061 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -59.99 163.1 14.67 Favored 'Trans proline' 0 C--N 1.314 -1.27 0 C-N-CA 121.465 1.443 . . . . 0.0 111.347 179.618 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.503 ' O ' ' N ' ' A' ' 34' ' ' LYS . 19.8 Cg_endo -57.14 -33.38 95.76 Favored 'Trans proline' 0 C--N 1.306 -1.678 0 C-N-CA 122.761 2.307 . . . . 0.0 111.354 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 60.5 t -53.39 -50.53 47.8 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.72 0 O-C-N 120.816 -1.177 . . . . 0.0 109.472 -179.1 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 61.0 t -67.94 -49.57 67.38 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.73 0 C-N-CA 119.009 -1.077 . . . . 0.0 109.208 -179.466 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.11 -44.72 91.4 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.239 -0.913 . . . . 0.0 110.461 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.546 ' CB ' ' HZ3' ' A' ' 34' ' ' LYS . 8.0 mtmp? -63.16 -35.76 81.35 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.565 -1.335 . . . . 0.0 110.319 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.9 tm-20 -60.03 -39.89 87.44 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 120.996 -1.065 . . . . 0.0 110.342 -179.214 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 54.5 mt -60.55 -40.33 84.12 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.381 0 O-C-N 120.864 -1.148 . . . . 0.0 109.099 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 65.2 t -63.96 -38.78 83.29 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.487 0 O-C-N 121.052 -1.03 . . . . 0.0 108.603 179.345 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.73 -32.09 70.23 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.438 -0.789 . . . . 0.0 110.029 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.8 m -78.27 -21.6 49.57 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.186 -0.946 . . . . 0.0 110.049 -178.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 45.4 t -83.82 105.03 14.4 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.045 -1.034 . . . . 0.0 109.464 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -61.24 -30.78 70.65 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.355 -0.841 . . . . 0.0 110.539 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -69.14 -40.0 78.52 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.87 -1.143 . . . . 0.0 111.139 -178.607 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 66.6 m -84.39 -29.79 25.92 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.113 -0.992 . . . . 0.0 109.688 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -72.35 -54.32 9.8 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.162 -0.961 . . . . 0.0 111.143 -178.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 88.4 mt -83.95 23.74 0.99 Allowed 'General case' 0 C--N 1.297 -1.702 0 O-C-N 121.254 -0.904 . . . . 0.0 110.46 -177.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 59.6 tttm -79.98 137.61 36.88 Favored 'General case' 0 C--N 1.296 -1.733 0 O-C-N 121.486 -0.759 . . . . 0.0 109.139 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 104.02 -169.85 18.21 Favored Glycine 0 N--CA 1.496 2.688 0 N-CA-C 109.32 -1.512 . . . . 0.0 109.32 -179.491 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -84.8 134.11 34.32 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.267 -1.137 . . . . 0.0 110.045 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -107.45 -105.22 0.34 Allowed 'General case' 0 N--CA 1.502 2.158 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 179.227 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 18.2 ttt -103.25 125.7 50.04 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.534 -0.729 . . . . 0.0 109.764 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 32.9 p-80 -134.37 25.4 3.8 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 120.948 -1.095 . . . . 0.0 109.109 178.675 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -76.03 -156.67 6.54 Favored Glycine 0 N--CA 1.491 2.335 0 N-CA-C 109.54 -1.424 . . . . 0.0 109.54 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 54.73 61.3 3.04 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.302 -1.117 . . . . 0.0 109.879 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.415 ' O ' ' OD1' ' A' ' 55' ' ' ASP . 4.0 t 60.58 171.23 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 121.428 -0.795 . . . . 0.0 108.902 -179.483 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.415 ' OD1' ' O ' ' A' ' 54' ' ' VAL . 97.8 m-20 . . . . . 0 N--CA 1.485 1.309 0 CA-C-O 117.738 -1.125 . . . . 0.0 109.356 -179.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 . . . . . 0 N--CA 1.49 1.573 0 CA-C-O 121.35 0.595 . . . . 0.0 109.636 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 14.6 mt -70.69 -34.73 72.28 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.517 -0.739 . . . . 0.0 111.557 -178.126 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . 0.535 ' OD1' ' N ' ' B' ' 3' ' ' ASP . 15.6 p-10 -66.3 -59.45 3.71 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.05 -1.031 . . . . 0.0 111.687 -177.825 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . 0.428 ' H ' ' CG ' ' B' ' 3' ' ' ASP . . . -63.84 -43.56 97.44 Favored Glycine 0 N--CA 1.492 2.367 0 C-N-CA 119.785 -1.198 . . . . 0.0 110.13 -178.511 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . 0.433 ' O ' ' N ' ' B' ' 9' ' ' GLN . 85.1 mt -59.07 -39.64 78.92 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.533 0 O-C-N 121.084 -1.244 . . . . 0.0 109.919 -179.408 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -55.34 -44.01 75.52 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.738 -1.226 . . . . 0.0 108.648 -179.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -70.81 -46.88 62.03 Favored 'General case' 0 C--N 1.298 -1.674 0 O-C-N 120.914 -1.116 . . . . 0.0 109.418 178.698 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.45 -34.03 77.26 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.416 -0.802 . . . . 0.0 109.469 179.544 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . 0.433 ' N ' ' O ' ' B' ' 5' ' ' ILE . 58.1 tt0 -57.16 -40.12 76.62 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.248 -0.907 . . . . 0.0 109.359 179.448 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . 0.409 ' HG2' ' HZ2' ' B' ' 14' ' ' LYS . 31.1 tt0 -62.56 -40.98 98.56 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.107 -0.996 . . . . 0.0 108.875 179.767 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 14.5 tm-20 -60.9 -41.67 96.52 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.525 -0.734 . . . . 0.0 109.945 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . 0.565 ' O ' ' N ' ' B' ' 16' ' ' HIS . 18.8 t60 -60.41 -40.41 90.9 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.893 -1.13 . . . . 0.0 109.205 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -61.22 -46.7 89.34 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.618 -0.676 . . . . 0.0 110.536 -178.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . 0.409 ' HZ2' ' HG2' ' B' ' 10' ' ' GLU . 33.6 mtmm -61.16 -40.26 93.21 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.466 -0.772 . . . . 0.0 112.785 -178.629 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 -127.16 -4.06 6.24 Favored 'General case' 0 N--CA 1.503 2.19 0 O-C-N 121.161 -0.962 . . . . 0.0 113.264 -175.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.565 ' N ' ' O ' ' B' ' 12' ' ' HIS . 92.2 m-70 51.68 39.93 26.28 Favored 'General case' 0 N--CA 1.5 2.037 0 N-CA-C 106.998 -1.482 . . . . 0.0 106.998 -177.366 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 88.9 p -61.76 154.37 25.84 Favored 'General case' 0 C--N 1.3 -1.587 0 CA-C-O 121.681 0.753 . . . . 0.0 110.755 -177.708 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -72.36 159.63 33.7 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.463 -0.773 . . . . 0.0 109.233 179.678 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 34.7 p-90 -56.73 -30.39 63.48 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.327 -0.858 . . . . 0.0 111.015 -179.281 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 54.3 mtp180 -63.53 -40.46 97.08 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.72 -1.237 . . . . 0.0 109.703 179.666 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.9 -48.76 65.14 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.212 -0.93 . . . . 0.0 108.756 -179.637 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 76.9 mtm -61.04 -42.24 98.09 Favored 'General case' 0 N--CA 1.49 1.553 0 C-N-CA 119.942 -0.703 . . . . 0.0 109.622 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . 0.509 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -58.3 -46.38 86.22 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.216 -0.927 . . . . 0.0 109.065 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 41.9 t -69.91 -37.49 75.97 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.56 -0.712 . . . . 0.0 110.578 179.562 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -60.04 -39.98 87.82 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.137 -0.977 . . . . 0.0 110.215 -178.687 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -111.43 -0.53 16.24 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.545 -0.722 . . . . 0.0 109.955 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . 0.509 ' N ' ' O ' ' B' ' 23' ' ' ALA . 33.7 t-20 58.64 49.78 9.86 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.049 -1.032 . . . . 0.0 110.11 179.188 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 68.9 mt -118.89 152.75 52.09 Favored Pre-proline 0 N--CA 1.497 1.9 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 179.636 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -59.81 163.02 14.36 Favored 'Trans proline' 0 N--CA 1.491 1.343 0 C-N-CA 121.481 1.454 . . . . 0.0 111.356 179.545 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . 0.424 ' O ' ' N ' ' B' ' 34' ' ' LYS . 19.0 Cg_endo -57.54 -30.79 89.66 Favored 'Trans proline' 0 C--N 1.304 -1.765 0 C-N-CA 122.722 2.281 . . . . 0.0 111.645 -179.799 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 60.4 t -56.04 -49.61 74.59 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.78 0 O-C-N 120.846 -1.158 . . . . 0.0 109.024 -179.18 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 57.8 t -68.16 -49.29 68.76 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.523 0 C-N-CA 118.875 -1.13 . . . . 0.0 109.317 -179.468 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.39 -44.99 89.61 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.365 -0.835 . . . . 0.0 110.436 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.507 ' CB ' ' HZ3' ' B' ' 34' ' ' LYS . 7.9 mtmp? -63.16 -34.69 78.18 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.61 -1.306 . . . . 0.0 110.327 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . 0.47 ' OE2' ' NZ ' ' A' ' 34' ' ' LYS . 15.6 tm-20 -60.27 -39.83 88.22 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.115 -0.991 . . . . 0.0 109.913 -179.267 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 60.5 mt -60.7 -39.9 83.1 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.456 0 O-C-N 120.773 -1.204 . . . . 0.0 109.389 179.694 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 67.7 t -64.9 -38.42 82.72 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 O-C-N 121.164 -0.96 . . . . 0.0 108.794 179.562 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . 0.512 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -60.48 -32.17 71.17 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.35 -0.844 . . . . 0.0 109.907 179.761 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 15.1 m -77.94 -23.79 48.45 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.245 -0.909 . . . . 0.0 110.011 -178.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 46.6 t -81.86 103.89 11.84 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.207 -0.933 . . . . 0.0 109.642 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -60.46 -30.71 69.85 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.019 -1.051 . . . . 0.0 110.531 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -69.03 -39.51 79.17 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 120.823 -1.173 . . . . 0.0 110.864 -178.724 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 65.3 m -84.52 -28.72 26.5 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.915 -1.115 . . . . 0.0 109.915 -179.729 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . 0.512 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 19.8 tt0 -73.27 -52.9 12.28 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.069 -1.019 . . . . 0.0 111.491 -178.729 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 89.5 mt -85.02 22.57 1.38 Allowed 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.394 -0.816 . . . . 0.0 110.271 -177.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 58.8 tttm -78.5 138.64 38.53 Favored 'General case' 0 C--N 1.297 -1.68 0 O-C-N 121.45 -0.781 . . . . 0.0 109.234 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 102.07 -173.37 23.3 Favored Glycine 0 N--CA 1.493 2.497 0 N-CA-C 108.774 -1.73 . . . . 0.0 108.774 -179.295 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -81.65 135.85 35.53 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.109 -1.23 . . . . 0.0 110.21 -179.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -109.14 -105.93 0.35 Allowed 'General case' 0 N--CA 1.502 2.13 0 O-C-N 121.209 -0.932 . . . . 0.0 109.057 178.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 17.4 ttt -102.23 125.8 49.04 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.217 -0.927 . . . . 0.0 109.399 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 33.9 p-80 -134.86 22.78 3.58 Favored 'General case' 0 N--CA 1.503 2.225 0 O-C-N 121.093 -1.004 . . . . 0.0 109.537 178.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -73.89 -154.81 3.47 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.642 -1.383 . . . . 0.0 109.642 179.709 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 53.24 60.16 3.93 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.203 -1.175 . . . . 0.0 109.398 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.419 ' O ' ' OD1' ' B' ' 55' ' ' ASP . 3.9 t 60.92 170.01 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 O-C-N 121.226 -0.921 . . . . 0.0 109.317 -179.618 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . 0.419 ' OD1' ' O ' ' B' ' 54' ' ' VAL . 98.3 m-20 . . . . . 0 N--CA 1.489 1.511 0 CA-C-O 117.868 -1.063 . . . . 0.0 109.652 -179.398 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 . . . . . 0 N--CA 1.487 1.4 0 CA-C-O 121.551 0.691 . . . . 0.0 109.377 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 15.5 mt -71.88 -39.86 69.34 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.57 -0.706 . . . . 0.0 110.808 -178.715 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -65.95 -43.89 86.64 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.222 -0.924 . . . . 0.0 111.307 -178.487 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.77 -46.99 42.67 Favored Glycine 0 N--CA 1.491 2.35 0 N-CA-C 109.215 -1.554 . . . . 0.0 109.215 -179.495 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.509 ' O ' ' N ' ' A' ' 9' ' ' GLN . 81.9 mt -59.96 -37.56 72.8 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.679 0 O-C-N 121.411 -1.052 . . . . 0.0 109.744 179.876 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 50.6 t0 -55.44 -47.13 76.48 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 120.852 -1.155 . . . . 0.0 108.709 -179.44 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -68.06 -45.07 74.88 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.236 -0.915 . . . . 0.0 109.53 179.076 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.83 -36.26 81.94 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.521 -0.737 . . . . 0.0 109.828 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.509 ' N ' ' O ' ' A' ' 5' ' ' ILE . 62.5 tt0 -58.08 -39.84 79.55 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.244 -0.91 . . . . 0.0 109.108 -179.735 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -60.87 -43.81 97.89 Favored 'General case' 0 C--N 1.303 -1.454 0 C-N-CA 119.273 -0.971 . . . . 0.0 108.7 179.164 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.5 tm-20 -61.13 -40.65 94.59 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.309 -0.869 . . . . 0.0 108.899 179.022 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.534 ' O ' ' N ' ' A' ' 16' ' ' HIS . 14.0 t60 -60.49 -44.76 95.62 Favored 'General case' 0 C--N 1.305 -1.334 0 O-C-N 121.246 -0.909 . . . . 0.0 109.595 179.488 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -60.63 -44.89 95.84 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.212 -0.93 . . . . 0.0 110.725 -179.343 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt -60.28 -37.46 80.55 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.388 -0.82 . . . . 0.0 112.557 -178.416 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -133.68 -4.78 2.88 Favored 'General case' 0 N--CA 1.506 2.368 0 O-C-N 120.829 -1.169 . . . . 0.0 113.119 -176.376 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.534 ' N ' ' O ' ' A' ' 12' ' ' HIS . 91.6 m-70 54.72 41.12 32.16 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 120.482 -1.386 . . . . 0.0 107.458 -177.527 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 93.6 p -62.83 156.74 23.21 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.699 -0.626 . . . . 0.0 110.634 -178.441 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 70.4 m-20 -72.95 158.61 35.13 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.47 -0.769 . . . . 0.0 109.354 179.893 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 33.2 p-90 -56.85 -29.89 63.29 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.025 -1.047 . . . . 0.0 110.597 -179.614 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 60.2 mtt-85 -62.48 -39.88 94.87 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 120.99 -1.069 . . . . 0.0 109.637 179.336 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.77 -48.63 63.19 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.138 -0.976 . . . . 0.0 109.477 -179.742 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 77.3 mtm -61.28 -39.88 92.07 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.092 -1.005 . . . . 0.0 109.586 179.607 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.464 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -58.29 -47.6 83.13 Favored 'General case' 0 N--CA 1.488 1.475 0 C-N-CA 119.573 -0.851 . . . . 0.0 109.044 179.877 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 39.2 t -70.37 -37.06 74.51 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.174 -0.954 . . . . 0.0 110.577 179.681 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -60.3 -39.99 88.91 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.131 -0.981 . . . . 0.0 110.655 -178.633 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -111.25 -0.43 16.44 Favored 'General case' 0 N--CA 1.504 2.238 0 O-C-N 121.406 -0.809 . . . . 0.0 110.195 -179.747 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.464 ' N ' ' O ' ' A' ' 23' ' ' ALA . 6.8 m-20 57.42 50.08 11.91 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.517 -0.74 . . . . 0.0 109.511 179.741 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 79.2 mt -114.04 152.41 45.75 Favored Pre-proline 0 N--CA 1.496 1.86 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 179.483 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_endo -58.43 159.68 18.98 Favored 'Trans proline' 0 C--N 1.315 -1.211 0 C-N-CA 121.448 1.432 . . . . 0.0 110.606 179.386 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_endo -55.69 -31.03 78.21 Favored 'Trans proline' 0 C--N 1.298 -2.105 0 C-N-CA 122.46 2.107 . . . . 0.0 112.29 -179.79 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 93.6 t -58.57 -48.42 85.62 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.603 0 O-C-N 121.337 -0.852 . . . . 0.0 110.384 -178.782 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 63.3 t -66.36 -47.56 83.71 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.966 0 C-N-CA 118.65 -1.22 . . . . 0.0 109.484 -178.619 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.96 -47.99 72.78 Favored 'General case' 0 C--N 1.298 -1.659 0 C-N-CA 119.569 -0.852 . . . . 0.0 110.143 179.919 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 53.1 mtpt -61.12 -34.5 75.07 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 120.762 -1.211 . . . . 0.0 110.559 -179.704 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.6 tm-20 -62.23 -38.7 90.24 Favored 'General case' 0 C--N 1.307 -1.267 0 O-C-N 120.938 -1.101 . . . . 0.0 109.931 -179.124 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 79.2 mt -59.75 -40.39 82.35 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 O-C-N 120.948 -1.095 . . . . 0.0 108.957 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 97.6 t -61.52 -38.44 80.16 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.608 0 O-C-N 121.31 -0.869 . . . . 0.0 109.112 178.774 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.33 -31.92 70.75 Favored 'General case' 0 C--N 1.307 -1.276 0 O-C-N 121.437 -0.789 . . . . 0.0 109.172 179.634 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 22.8 m -78.64 -28.5 45.48 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.476 -0.765 . . . . 0.0 110.372 -179.218 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 46.8 t -81.82 102.46 10.84 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.356 -0.84 . . . . 0.0 109.538 -179.777 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -60.06 -30.88 69.49 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.234 -0.916 . . . . 0.0 110.315 -179.165 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 57.1 mtpt -69.94 -40.12 75.66 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.083 -1.011 . . . . 0.0 110.703 -178.501 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 66.9 m -85.48 -18.27 34.04 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.851 -1.156 . . . . 0.0 109.336 179.349 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 30.6 tt0 -74.99 -71.47 0.35 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.129 -0.982 . . . . 0.0 109.085 -179.411 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 54.2 mt -82.86 112.67 19.88 Favored 'General case' 0 N--CA 1.492 1.638 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 179.265 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.415 ' NZ ' ' CB ' ' A' ' 46' ' ' LYS . 2.9 ttmp? -91.99 132.15 36.74 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.867 -1.146 . . . . 0.0 109.765 -179.487 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 76.27 -173.7 53.88 Favored Glycine 0 N--CA 1.491 2.343 0 N-CA-C 109.84 -1.304 . . . . 0.0 109.84 179.607 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -89.99 148.65 22.95 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.298 -1.119 . . . . 0.0 108.965 179.677 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.49 ' O ' ' O ' ' B' ' 49' ' ' ALA . . . -91.54 -29.9 16.71 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.019 -1.05 . . . . 0.0 110.741 -179.089 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 22.7 ptp -96.25 148.67 22.49 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 120.971 -1.081 . . . . 0.0 110.429 -179.505 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 40.0 p-80 -65.93 166.6 11.05 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.494 -0.754 . . . . 0.0 109.436 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -130.51 -19.65 1.32 Allowed Glycine 0 N--CA 1.499 2.853 0 N-CA-C 109.713 -1.355 . . . . 0.0 109.713 -179.936 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -65.81 151.99 45.4 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.192 -1.181 . . . . 0.0 109.702 -179.634 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 1.5 t 49.88 -147.35 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.862 0 O-C-N 121.396 -0.815 . . . . 0.0 109.608 -179.977 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 . . . . . 0 N--CA 1.492 1.635 0 CA-C-O 118.112 -0.947 . . . . 0.0 109.659 -179.763 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 . . . . . 0 N--CA 1.495 1.815 0 CA-C-O 121.769 0.795 . . . . 0.0 109.72 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 15.1 mt -71.93 -39.82 69.19 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.5 -0.75 . . . . 0.0 110.693 -178.77 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -66.32 -43.5 86.0 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.094 -1.004 . . . . 0.0 111.71 -178.516 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.82 -46.78 43.56 Favored Glycine 0 N--CA 1.492 2.406 0 N-CA-C 109.242 -1.543 . . . . 0.0 109.242 -179.517 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . 0.422 ' O ' ' N ' ' B' ' 9' ' ' GLN . 83.7 mt -59.85 -38.02 74.38 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.636 0 O-C-N 121.461 -1.023 . . . . 0.0 109.751 179.712 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -54.83 -47.07 74.58 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 120.879 -1.138 . . . . 0.0 108.695 -179.685 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -68.58 -44.94 73.32 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.162 -0.961 . . . . 0.0 109.645 179.236 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.27 -35.75 80.15 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.507 -0.746 . . . . 0.0 109.661 -179.961 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . 0.422 ' N ' ' O ' ' B' ' 5' ' ' ILE . 61.8 tt0 -58.17 -40.73 82.18 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.079 -1.013 . . . . 0.0 108.584 -179.577 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -59.79 -43.89 94.19 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 119.134 -1.026 . . . . 0.0 108.866 179.24 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 12.9 tm-20 -61.14 -40.18 92.85 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.069 -1.019 . . . . 0.0 108.934 179.102 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . 0.551 ' O ' ' N ' ' B' ' 16' ' ' HIS . 14.6 t60 -61.04 -44.8 96.86 Favored 'General case' 0 N--CA 1.485 1.276 0 O-C-N 121.149 -0.97 . . . . 0.0 109.744 -179.905 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -60.72 -44.48 96.56 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.311 -0.868 . . . . 0.0 110.751 -179.321 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt -60.29 -38.43 83.58 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.311 -0.868 . . . . 0.0 112.668 -178.747 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 51.9 m-85 -132.33 -5.58 3.38 Favored 'General case' 0 N--CA 1.506 2.357 0 O-C-N 120.895 -1.128 . . . . 0.0 113.196 -176.185 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.551 ' N ' ' O ' ' B' ' 12' ' ' HIS . 91.5 m-70 54.94 40.47 32.02 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.508 -1.37 . . . . 0.0 107.366 -177.417 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 97.4 p -62.49 157.52 20.09 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.694 -0.629 . . . . 0.0 110.561 -178.78 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 72.2 m-20 -73.71 159.29 33.21 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.366 -0.834 . . . . 0.0 109.348 179.455 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 32.2 p-90 -57.51 -29.83 64.63 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.272 -0.893 . . . . 0.0 110.165 -179.209 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . 0.407 HH11 ' HG2' ' B' ' 20' ' ' ARG . 59.4 mtt-85 -62.25 -40.06 94.94 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.929 -1.107 . . . . 0.0 109.566 179.44 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.02 -48.73 62.23 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.232 -0.917 . . . . 0.0 109.428 -179.322 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 77.8 mtm -60.9 -39.97 91.35 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.354 -0.841 . . . . 0.0 109.574 179.358 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . 0.472 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -58.32 -47.98 81.98 Favored 'General case' 0 C--N 1.303 -1.425 0 C-N-CA 119.529 -0.869 . . . . 0.0 109.401 179.895 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 38.1 t -70.55 -36.57 73.73 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.278 -0.888 . . . . 0.0 110.146 179.725 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -60.49 -39.87 89.27 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.047 -1.033 . . . . 0.0 110.744 -178.679 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -111.11 -1.42 16.23 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.491 -0.756 . . . . 0.0 110.177 -179.773 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . 0.472 ' N ' ' O ' ' B' ' 23' ' ' ALA . 5.8 m-20 58.32 50.01 10.2 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.233 -0.917 . . . . 0.0 109.914 -179.961 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 81.3 mt -114.51 152.29 46.02 Favored Pre-proline 0 N--CA 1.5 2.029 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 179.68 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_endo -58.56 159.21 20.81 Favored 'Trans proline' 0 C--N 1.316 -1.183 0 C-N-CA 121.166 1.244 . . . . 0.0 110.627 179.215 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_endo -55.01 -31.76 75.97 Favored 'Trans proline' 0 C--N 1.3 -1.989 0 C-N-CA 122.27 1.98 . . . . 0.0 112.554 -179.654 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 83.7 t -57.96 -48.38 84.23 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.573 0 O-C-N 121.266 -0.896 . . . . 0.0 110.341 -178.724 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 63.9 t -66.57 -47.21 84.19 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.925 0 C-N-CA 118.219 -1.393 . . . . 0.0 109.656 -178.799 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.85 -48.13 72.64 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 121.246 -0.909 . . . . 0.0 109.957 179.925 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 51.4 mtpt -60.96 -34.93 75.51 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 120.932 -1.105 . . . . 0.0 110.615 -179.496 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 14.6 tm-20 -61.75 -39.08 90.33 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.232 -0.918 . . . . 0.0 110.0 -179.029 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 83.6 mt -59.95 -39.59 80.58 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 121.086 -1.009 . . . . 0.0 109.191 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 94.9 t -61.97 -38.76 81.5 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.604 0 O-C-N 121.166 -0.959 . . . . 0.0 108.668 178.947 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . 0.482 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -59.89 -31.44 69.8 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.347 -0.845 . . . . 0.0 109.286 179.608 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 19.0 m -79.94 -27.2 39.85 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.378 -0.827 . . . . 0.0 110.181 -179.171 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 47.3 t -82.69 102.81 11.75 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.089 -1.007 . . . . 0.0 109.21 179.918 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -60.35 -30.06 69.3 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.275 -0.891 . . . . 0.0 110.408 -179.438 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 57.0 mtpt -70.3 -40.74 74.05 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.341 -0.849 . . . . 0.0 110.673 -178.896 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 68.2 m -85.44 -17.95 35.06 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.83 -1.169 . . . . 0.0 109.163 179.567 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . 0.482 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 27.6 tt0 -75.01 -71.63 0.34 Allowed 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.009 -1.057 . . . . 0.0 109.303 -179.497 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 56.2 mt -82.96 112.58 19.87 Favored 'General case' 0 C--N 1.298 -1.636 0 O-C-N 121.127 -0.983 . . . . 0.0 108.368 179.314 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . 0.406 ' CB ' ' NZ ' ' B' ' 46' ' ' LYS . 2.8 ttmp? -91.93 132.35 36.56 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.151 -0.968 . . . . 0.0 109.545 -179.404 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 76.41 -173.96 53.91 Favored Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.761 -1.335 . . . . 0.0 109.761 179.727 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 -90.69 147.94 22.93 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.375 -1.074 . . . . 0.0 108.824 179.969 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . 0.49 ' O ' ' O ' ' A' ' 49' ' ' ALA . . . -91.19 -30.2 16.8 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.214 -0.929 . . . . 0.0 110.513 -178.894 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 22.6 ptp -95.96 149.75 21.21 Favored 'General case' 0 N--CA 1.503 2.186 0 O-C-N 121.019 -1.05 . . . . 0.0 110.516 -179.415 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 39.5 p-80 -67.21 165.43 16.12 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.382 -0.824 . . . . 0.0 109.508 179.636 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -129.62 -20.35 1.38 Allowed Glycine 0 N--CA 1.502 3.041 0 N-CA-C 109.436 -1.466 . . . . 0.0 109.436 -179.918 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -64.83 151.44 45.45 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.207 -1.172 . . . . 0.0 109.994 -179.906 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 1.5 t 49.41 -148.33 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 O-C-N 121.239 -0.913 . . . . 0.0 109.135 -179.84 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 . . . . . 0 N--CA 1.493 1.71 0 O-C-N 121.094 -1.004 . . . . 0.0 109.659 180.0 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 66.8 m-85 . . . . . 0 N--CA 1.492 1.672 0 CA-C-O 121.518 0.675 . . . . 0.0 109.448 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 18.7 mt -72.51 -23.03 60.95 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.548 -0.72 . . . . 0.0 111.048 -178.716 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 55.3 t0 -68.07 -64.3 0.89 Allowed 'General case' 0 N--CA 1.497 1.916 0 O-C-N 120.834 -1.166 . . . . 0.0 111.358 -178.427 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.44 -40.87 99.63 Favored Glycine 0 N--CA 1.493 2.449 0 N-CA-C 109.853 -1.299 . . . . 0.0 109.853 -178.965 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.442 ' O ' ' N ' ' A' ' 9' ' ' GLN . 96.4 mt -59.59 -40.25 81.6 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.124 -1.221 . . . . 0.0 110.342 -179.748 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 58.2 t0 -55.37 -48.49 74.21 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 120.841 -1.162 . . . . 0.0 108.537 -179.972 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 30.5 ttmt -67.97 -43.31 79.29 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.172 -0.955 . . . . 0.0 109.192 178.907 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.58 -35.85 81.88 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.217 -0.927 . . . . 0.0 109.094 179.631 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 5' ' ' ILE . 0.9 OUTLIER -56.81 -40.9 76.83 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.273 -0.892 . . . . 0.0 109.221 -179.642 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 44.6 tp10 -60.36 -41.84 94.53 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.062 -1.024 . . . . 0.0 108.884 179.177 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.3 tm-20 -59.92 -41.54 91.94 Favored 'General case' 0 N--CA 1.491 1.585 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 179.241 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.565 ' O ' ' N ' ' A' ' 16' ' ' HIS . 14.9 t60 -60.68 -46.05 91.83 Favored 'General case' 0 C--N 1.303 -1.415 0 C-N-CA 119.766 -0.774 . . . . 0.0 109.392 179.722 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 24.6 tp10 -60.84 -42.44 97.78 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 121.185 -0.947 . . . . 0.0 110.307 -179.147 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.2 mtpp -62.94 -30.5 71.61 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.544 -0.723 . . . . 0.0 112.77 -178.409 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 48.6 m-85 -138.12 -6.3 1.62 Allowed 'General case' 0 N--CA 1.506 2.328 0 O-C-N 120.75 -1.219 . . . . 0.0 112.271 -177.036 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.565 ' N ' ' O ' ' A' ' 12' ' ' HIS . 84.2 m-70 53.27 41.81 32.12 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.45 -1.406 . . . . 0.0 107.357 -177.996 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 88.9 p -65.18 157.0 29.94 Favored 'General case' 0 C--N 1.302 -1.461 0 CA-C-O 121.543 0.687 . . . . 0.0 110.786 -178.533 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -73.47 156.5 38.15 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.612 -0.68 . . . . 0.0 109.712 179.897 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 46.7 p-90 -54.61 -29.78 52.83 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.311 -0.868 . . . . 0.0 109.836 -179.945 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 83.0 mtm180 -62.16 -40.99 97.84 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.959 -1.088 . . . . 0.0 109.762 -179.842 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.18 -48.46 57.15 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.376 -0.827 . . . . 0.0 109.401 -179.9 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 78.6 mtm -60.98 -39.84 91.15 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.311 -0.868 . . . . 0.0 109.375 179.87 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.461 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -58.21 -49.45 77.01 Favored 'General case' 0 C--N 1.303 -1.423 0 C-N-CA 119.365 -0.934 . . . . 0.0 109.111 179.571 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 44.7 t -69.7 -35.35 75.0 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.337 -0.852 . . . . 0.0 110.058 179.618 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 58.4 t0 -59.96 -40.78 90.19 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.272 -0.892 . . . . 0.0 110.552 -179.158 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -112.08 2.42 16.78 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.448 -0.783 . . . . 0.0 110.384 -179.98 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.461 ' N ' ' O ' ' A' ' 23' ' ' ALA . 15.3 m120 56.86 47.85 17.12 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.213 -0.929 . . . . 0.0 109.982 179.268 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 64.9 mt -113.19 152.9 45.47 Favored Pre-proline 0 N--CA 1.498 1.936 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 179.703 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -62.06 147.88 94.24 Favored 'Trans proline' 0 N--CA 1.492 1.431 0 C-N-CA 121.595 1.53 . . . . 0.0 111.446 179.629 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.483 ' O ' ' N ' ' A' ' 34' ' ' LYS . 38.4 Cg_exo -41.51 -37.04 3.27 Favored 'Trans proline' 0 C--N 1.314 -1.262 0 C-N-CA 122.065 1.844 . . . . 0.0 111.973 -179.965 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 42.3 t -52.95 -50.2 45.27 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.869 0 O-C-N 121.329 -0.857 . . . . 0.0 110.528 -178.469 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 98.7 t -66.9 -46.77 84.32 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.818 0 C-N-CA 118.688 -1.205 . . . . 0.0 109.611 -179.156 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.68 -42.11 82.62 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.382 -0.824 . . . . 0.0 109.912 -179.863 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.483 ' N ' ' O ' ' A' ' 30' ' ' PRO . 3.2 mmmm -60.65 -37.96 83.23 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.068 -1.02 . . . . 0.0 109.848 -179.855 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.3 tm-20 -62.22 -39.76 93.86 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.189 -0.944 . . . . 0.0 110.748 -178.53 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 61.9 mt -60.31 -39.62 81.42 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 O-C-N 120.772 -1.205 . . . . 0.0 108.28 179.733 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 55.4 t -64.77 -39.6 86.19 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 121.265 -0.897 . . . . 0.0 108.988 178.971 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.401 ' O ' ' OE1' ' A' ' 44' ' ' GLN . . . -62.1 -34.16 75.8 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.45 -0.781 . . . . 0.0 109.276 179.664 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 58.1 m -77.32 -26.18 51.89 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.137 -0.977 . . . . 0.0 110.14 -179.09 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 35.3 t -81.32 104.76 12.0 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.996 -1.065 . . . . 0.0 108.731 179.532 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -60.32 -30.09 69.29 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.48 -0.762 . . . . 0.0 110.525 -178.94 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -70.42 -41.09 73.39 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.143 -0.973 . . . . 0.0 110.048 -179.173 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 87.3 m -87.61 -27.31 22.59 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 120.958 -1.089 . . . . 0.0 109.664 179.891 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.401 ' OE1' ' O ' ' A' ' 38' ' ' ALA . 15.9 tt0 -73.72 -70.45 0.38 Allowed 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.439 -0.788 . . . . 0.0 109.185 -179.484 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 46.0 mt -80.48 106.92 12.86 Favored 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 179.282 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.555 ' O ' ' N ' ' A' ' 48' ' ' GLU . 83.0 tttt -90.67 134.21 34.57 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.296 -0.878 . . . . 0.0 108.64 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -48.47 88.24 0.01 OUTLIER Glycine 0 N--CA 1.493 2.455 0 N-CA-C 110.185 -1.166 . . . . 0.0 110.185 -179.409 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.555 ' N ' ' O ' ' A' ' 46' ' ' LYS . 20.7 pt-20 -145.31 -32.03 0.39 Allowed 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.069 -1.253 . . . . 0.0 109.374 179.694 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.86 109.7 18.88 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.52 -0.737 . . . . 0.0 109.302 -179.948 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 21.3 ptm -173.38 -158.35 0.1 Allowed 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.26 -0.9 . . . . 0.0 109.602 -179.429 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 84.8 m-70 -50.86 145.7 6.84 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.285 -0.885 . . . . 0.0 109.119 179.743 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -140.94 80.32 0.26 Allowed Glycine 0 N--CA 1.5 2.91 0 N-CA-C 109.761 -1.336 . . . . 0.0 109.761 -179.651 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.446 ' O ' ' O ' ' A' ' 54' ' ' VAL . 39.9 tt0 63.02 18.74 11.16 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.305 -1.115 . . . . 0.0 108.849 -179.977 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.446 ' O ' ' O ' ' A' ' 53' ' ' GLN . 4.4 t 56.42 160.58 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 121.454 -0.779 . . . . 0.0 109.932 179.392 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 48.7 p-10 . . . . . 0 N--CA 1.495 1.813 0 CA-C-O 118.03 -0.986 . . . . 0.0 109.175 179.635 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 121.455 0.645 . . . . 0.0 109.44 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 20.1 mt -72.62 -22.53 60.94 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.582 -0.699 . . . . 0.0 111.099 -178.63 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -68.14 -64.8 0.79 Allowed 'General case' 0 N--CA 1.497 1.911 0 O-C-N 120.91 -1.119 . . . . 0.0 111.288 -178.43 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.3 -40.55 99.17 Favored Glycine 0 N--CA 1.493 2.464 0 N-CA-C 110.151 -1.179 . . . . 0.0 110.151 -178.984 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . 0.419 ' O ' ' N ' ' B' ' 9' ' ' GLN . 96.1 mt -59.94 -40.02 81.78 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.485 0 O-C-N 121.253 -1.146 . . . . 0.0 110.09 -179.594 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 58.5 t0 -55.5 -48.45 74.6 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.008 -1.058 . . . . 0.0 108.249 -179.82 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 29.8 ttmt -67.99 -43.39 79.01 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.248 -0.908 . . . . 0.0 109.066 179.02 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.68 -35.49 80.73 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.307 -0.87 . . . . 0.0 109.304 179.655 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . 0.419 ' N ' ' O ' ' B' ' 5' ' ' ILE . 0.9 OUTLIER -57.14 -40.7 77.69 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.299 -0.875 . . . . 0.0 109.212 -179.554 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 45.0 tp10 -60.22 -41.9 94.05 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.161 -0.962 . . . . 0.0 108.67 178.945 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 13.1 tm-20 -60.25 -41.33 92.97 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.345 -0.847 . . . . 0.0 109.007 179.051 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . 0.584 ' O ' ' N ' ' B' ' 16' ' ' HIS . 14.6 t60 -60.79 -45.57 93.85 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.209 -0.932 . . . . 0.0 109.655 179.586 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 23.9 tp10 -61.04 -42.85 99.26 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.04 -1.038 . . . . 0.0 110.336 -179.182 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp -62.57 -30.54 71.39 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.479 -0.763 . . . . 0.0 112.894 -178.677 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 49.3 m-85 -137.75 -6.54 1.69 Allowed 'General case' 0 N--CA 1.505 2.288 0 O-C-N 120.734 -1.228 . . . . 0.0 112.333 -176.905 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.584 ' N ' ' O ' ' B' ' 12' ' ' HIS . 82.1 m-70 52.89 42.74 32.09 Favored 'General case' 0 N--CA 1.495 1.788 0 N-CA-C 107.374 -1.343 . . . . 0.0 107.374 -177.953 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 93.6 p -65.97 157.32 31.1 Favored 'General case' 0 C--N 1.301 -1.516 0 CA-C-O 121.599 0.714 . . . . 0.0 110.485 -178.099 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -73.94 156.72 37.32 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.48 -0.763 . . . . 0.0 109.446 179.674 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 46.7 p-90 -54.87 -30.07 56.99 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.36 -0.838 . . . . 0.0 109.704 -179.724 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 82.9 mtm180 -61.9 -40.79 96.65 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.92 -1.112 . . . . 0.0 109.983 -179.865 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.93 -49.01 56.23 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.28 -0.888 . . . . 0.0 109.323 179.808 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 78.2 mtm -60.5 -40.19 90.48 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.24 -0.912 . . . . 0.0 109.573 179.886 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . 0.464 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -58.32 -48.89 79.09 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.261 -0.899 . . . . 0.0 109.101 -179.972 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 45.3 t -70.25 -35.1 73.57 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.351 -0.843 . . . . 0.0 109.879 179.667 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 57.9 t0 -60.25 -40.6 90.84 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.278 -0.889 . . . . 0.0 110.51 -179.305 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -112.09 2.32 16.72 Favored 'General case' 0 N--CA 1.502 2.142 0 O-C-N 121.39 -0.819 . . . . 0.0 110.271 -179.878 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . 0.464 ' N ' ' O ' ' B' ' 23' ' ' ALA . 14.6 m120 56.84 47.18 18.44 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.344 -0.847 . . . . 0.0 110.266 179.505 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 66.0 mt -112.84 152.33 44.74 Favored Pre-proline 0 N--CA 1.5 2.044 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 179.886 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -61.61 148.45 92.99 Favored 'Trans proline' 0 N--CA 1.49 1.31 0 C-N-CA 121.434 1.423 . . . . 0.0 111.538 179.974 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . 0.489 ' O ' ' N ' ' B' ' 34' ' ' LYS . 34.4 Cg_exo -42.18 -36.7 4.24 Favored 'Trans proline' 0 C--N 1.315 -1.216 0 C-N-CA 122.091 1.861 . . . . 0.0 111.601 179.851 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 40.5 t -53.17 -50.09 48.0 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.721 0 O-C-N 121.141 -0.974 . . . . 0.0 110.579 -178.656 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 89.8 t -66.87 -47.11 83.54 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.662 0 C-N-CA 118.649 -1.22 . . . . 0.0 109.57 -179.228 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.19 -42.59 83.94 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.568 -0.707 . . . . 0.0 110.261 179.967 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.489 ' N ' ' O ' ' B' ' 30' ' ' PRO . 3.2 mmmm -60.43 -37.43 80.86 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.07 -1.019 . . . . 0.0 109.874 -179.818 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 -62.46 -40.11 95.58 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.202 -0.936 . . . . 0.0 110.53 -178.596 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 61.6 mt -59.94 -40.17 82.19 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 O-C-N 120.647 -1.283 . . . . 0.0 108.102 179.821 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 60.2 t -64.13 -40.38 88.86 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 O-C-N 121.138 -0.976 . . . . 0.0 108.841 179.469 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . 0.548 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -61.22 -33.88 74.21 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.521 -0.737 . . . . 0.0 109.346 179.873 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 57.9 m -77.33 -26.83 52.49 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.212 -0.93 . . . . 0.0 110.043 -178.714 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 31.2 t -81.39 105.0 12.22 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.155 -0.965 . . . . 0.0 108.975 179.623 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -60.31 -30.07 69.25 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.577 -0.702 . . . . 0.0 110.73 -178.687 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -70.44 -41.26 73.09 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 120.917 -1.114 . . . . 0.0 110.203 -179.203 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 86.0 m -87.02 -27.49 23.18 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.187 -0.946 . . . . 0.0 109.63 179.465 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . 0.548 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 51.2 tt0 -73.67 -70.05 0.4 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.095 -1.003 . . . . 0.0 109.211 -179.588 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 47.4 mt -80.54 106.94 12.94 Favored 'General case' 0 C--N 1.298 -1.653 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 179.37 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . 0.565 ' O ' ' N ' ' B' ' 48' ' ' GLU . 82.7 tttt -90.48 134.36 34.41 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.136 -0.977 . . . . 0.0 108.724 179.617 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -48.91 87.91 0.01 OUTLIER Glycine 0 N--CA 1.493 2.454 0 N-CA-C 109.915 -1.274 . . . . 0.0 109.915 -179.54 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . 0.565 ' N ' ' O ' ' B' ' 46' ' ' LYS . 20.7 pt-20 -144.66 -31.87 0.42 Allowed 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.24 -1.153 . . . . 0.0 109.114 179.845 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -86.76 110.27 19.81 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.241 -0.912 . . . . 0.0 109.326 179.956 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 21.2 ptm -173.6 -157.85 0.09 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.302 -0.874 . . . . 0.0 109.398 -179.478 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 86.5 m-70 -51.39 146.28 7.31 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.276 -0.89 . . . . 0.0 109.052 -179.727 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -141.87 80.77 0.25 Allowed Glycine 0 N--CA 1.497 2.765 0 N-CA-C 109.832 -1.307 . . . . 0.0 109.832 -179.597 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . 0.433 ' O ' ' O ' ' B' ' 54' ' ' VAL . 40.5 tt0 62.71 18.97 11.06 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.588 -0.948 . . . . 0.0 108.846 -179.964 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.433 ' O ' ' O ' ' B' ' 53' ' ' GLN . 4.2 t 56.64 160.58 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 121.435 -0.791 . . . . 0.0 110.116 179.546 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 48.3 p-10 . . . . . 0 N--CA 1.492 1.67 0 O-C-N 121.135 -0.978 . . . . 0.0 109.294 179.66 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.441 ' CE2' ' CE2' ' B' ' 1' ' ' PHE . 43.1 m-85 . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 121.359 0.6 . . . . 0.0 109.481 . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 73.0 mt -68.96 -38.0 79.14 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.272 -0.892 . . . . 0.0 111.247 -178.743 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 62.6 t0 -60.99 -50.31 73.91 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 120.593 -1.317 . . . . 0.0 111.468 -178.54 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.36 -43.65 92.23 Favored Glycine 0 N--CA 1.49 2.259 0 N-CA-C 109.314 -1.514 . . . . 0.0 109.314 -179.438 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 88.1 mt -60.04 -38.58 77.35 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.499 0 O-C-N 121.616 -0.932 . . . . 0.0 110.892 -179.798 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -56.72 -47.24 80.42 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 120.505 -1.372 . . . . 0.0 108.8 -179.51 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.9 mtpp -69.15 -40.48 78.17 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.043 -1.035 . . . . 0.0 109.08 179.119 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.99 -38.05 85.33 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 119.764 -0.774 . . . . 0.0 109.565 179.843 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -55.48 -40.42 71.67 Favored 'General case' 0 C--N 1.297 -1.677 0 C-N-CA 119.676 -0.809 . . . . 0.0 109.115 -179.547 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -63.51 -43.58 96.78 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.912 -1.118 . . . . 0.0 109.557 179.079 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.0 tm-20 -60.08 -44.93 94.42 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.126 -0.983 . . . . 0.0 109.245 -179.888 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.567 ' O ' ' N ' ' A' ' 16' ' ' HIS . 15.8 t60 -61.19 -45.23 95.45 Favored 'General case' 0 C--N 1.3 -1.563 0 C-N-CA 119.191 -1.004 . . . . 0.0 109.726 179.958 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 15.0 tm-20 -61.12 -40.25 93.06 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 120.937 -1.102 . . . . 0.0 110.317 -178.94 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -65.0 -38.97 92.73 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.264 -0.897 . . . . 0.0 112.609 -178.954 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -129.98 -3.63 4.56 Favored 'General case' 0 N--CA 1.511 2.595 0 O-C-N 120.987 -1.071 . . . . 0.0 112.45 -176.488 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.567 ' N ' ' O ' ' A' ' 12' ' ' HIS . 93.1 m-70 53.85 40.36 31.45 Favored 'General case' 0 N--CA 1.497 1.916 0 N-CA-C 107.586 -1.264 . . . . 0.0 107.586 -178.114 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.5 p -59.72 154.76 17.3 Favored 'General case' 0 N--CA 1.489 1.476 0 CA-C-O 121.263 0.554 . . . . 0.0 110.475 -178.782 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -72.65 149.61 43.72 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.211 -0.931 . . . . 0.0 108.984 179.661 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 47.5 p-90 -51.22 -30.24 16.69 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 120.831 -1.168 . . . . 0.0 110.234 -179.273 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 63.1 mtp180 -63.3 -43.62 97.33 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.906 -1.121 . . . . 0.0 110.437 179.591 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.45 -46.43 66.72 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.685 -1.259 . . . . 0.0 108.446 179.901 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 22.0 mtp -60.59 -45.43 94.0 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.634 -0.667 . . . . 0.0 109.587 179.896 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.53 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -58.69 -43.04 89.87 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.301 -0.874 . . . . 0.0 109.08 179.547 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 31.2 m -70.2 -38.42 75.32 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.444 -0.785 . . . . 0.0 109.579 179.71 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 61.4 t0 -59.58 -42.21 91.99 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.202 -0.936 . . . . 0.0 110.215 -179.227 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -106.64 -2.41 21.76 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.463 -0.773 . . . . 0.0 109.561 179.894 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.53 ' N ' ' O ' ' A' ' 23' ' ' ALA . 11.8 t-20 56.52 50.04 13.68 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.499 -0.75 . . . . 0.0 109.584 179.186 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 68.2 mt -115.54 146.21 36.16 Favored Pre-proline 0 N--CA 1.5 2.033 0 O-C-N 121.609 -0.682 . . . . 0.0 109.385 179.789 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_exo -45.54 144.66 4.81 Favored 'Trans proline' 0 N--CA 1.489 1.217 0 C-N-CA 121.781 1.654 . . . . 0.0 111.585 178.927 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -44.57 -37.16 10.84 Favored 'Trans proline' 0 C--N 1.312 -1.376 0 C-N-CA 121.694 1.596 . . . . 0.0 111.729 178.986 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 48.4 t -53.73 -50.18 52.94 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.801 0 C-N-CA 120.148 -0.621 . . . . 0.0 110.086 -178.262 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 51.5 t -63.36 -50.36 79.07 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.806 0 C-N-CA 118.615 -1.234 . . . . 0.0 109.803 -178.616 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.92 -43.02 89.35 Favored 'General case' 0 N--CA 1.489 1.511 0 C-N-CA 119.079 -1.049 . . . . 0.0 109.597 179.562 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 23.8 mtpp -62.13 -37.91 86.97 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.863 -1.148 . . . . 0.0 110.415 -179.811 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.4 tm-20 -61.52 -39.87 92.57 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.016 -1.053 . . . . 0.0 110.731 -178.934 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 82.0 mt -59.71 -39.64 80.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 120.708 -1.245 . . . . 0.0 107.929 179.568 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 92.2 t -60.64 -39.95 83.15 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.231 -0.918 . . . . 0.0 108.728 178.687 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.404 ' O ' ' OE1' ' A' ' 44' ' ' GLN . . . -60.66 -31.57 70.79 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.171 -0.956 . . . . 0.0 108.661 178.714 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 63.2 m -75.55 -30.4 59.7 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.33 -0.856 . . . . 0.0 109.187 179.775 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 44.9 t -81.05 98.77 8.13 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.369 -0.832 . . . . 0.0 109.601 179.772 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -59.94 -28.87 67.99 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.547 -0.72 . . . . 0.0 110.589 -179.355 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 59.4 mttp -68.42 -38.13 80.93 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 120.843 -1.16 . . . . 0.0 110.058 -178.517 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 55.1 m -86.48 -34.79 19.95 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.386 -0.821 . . . . 0.0 110.89 -179.836 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.586 ' NE2' ' OE1' ' B' ' 44' ' ' GLN . 53.0 tt0 -70.38 -51.3 30.75 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.359 -0.838 . . . . 0.0 111.666 -177.831 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 89.4 mt -83.88 17.69 2.28 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.075 -1.016 . . . . 0.0 110.435 -178.31 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.447 ' C ' ' H ' ' A' ' 48' ' ' GLU . 85.5 tttt -80.67 115.34 20.13 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.029 -1.044 . . . . 0.0 109.53 -179.709 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 70.41 -9.49 3.29 Favored Glycine 0 N--CA 1.49 2.259 0 N-CA-C 110.043 -1.223 . . . . 0.0 110.043 179.671 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.447 ' H ' ' C ' ' A' ' 46' ' ' LYS . 94.4 mt-10 -96.78 1.13 50.45 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.295 -1.121 . . . . 0.0 109.891 -179.655 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.26 133.46 35.44 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.948 -1.095 . . . . 0.0 109.118 -179.549 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.477 ' O ' ' O ' ' B' ' 50' ' ' MET . 53.2 mtt -82.54 149.92 27.23 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.379 -0.825 . . . . 0.0 110.714 -178.987 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 72.0 m80 -100.84 134.71 43.42 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 178.972 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.868 ' H ' ' H ' ' B' ' 52' ' ' GLY . . . -89.37 145.83 18.66 Favored Glycine 0 N--CA 1.49 2.236 0 N-CA-C 109.559 -1.417 . . . . 0.0 109.559 -179.113 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 95.1 mm-40 -72.34 -145.76 0.02 OUTLIER 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.021 -1.282 . . . . 0.0 108.818 179.562 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 18.0 t -89.8 2.01 7.21 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.982 0 O-C-N 121.115 -0.99 . . . . 0.0 109.378 -179.679 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 60.8 t0 . . . . . 0 C--N 1.296 -1.759 0 CA-C-O 118.237 -0.887 . . . . 0.0 109.731 179.815 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . 0.441 ' CE2' ' CE2' ' A' ' 1' ' ' PHE . 34.7 m-85 . . . . . 0 N--CA 1.494 1.731 0 CA-C-O 121.384 0.612 . . . . 0.0 109.566 . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 69.3 mt -70.64 -37.4 73.75 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.194 -0.941 . . . . 0.0 111.339 -178.672 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -60.37 -51.71 68.35 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 120.904 -1.123 . . . . 0.0 111.019 -178.218 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.46 -42.4 93.77 Favored Glycine 0 N--CA 1.49 2.25 0 C-N-CA 119.307 -1.425 . . . . 0.0 109.675 -179.402 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . 0.407 ' O ' ' N ' ' B' ' 9' ' ' GLN . 83.8 mt -60.29 -39.43 80.8 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.523 0 O-C-N 121.57 -0.959 . . . . 0.0 110.356 -179.74 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 62.0 t0 -55.67 -46.99 77.48 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 120.737 -1.227 . . . . 0.0 109.306 -179.314 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -69.59 -40.22 76.82 Favored 'General case' 0 N--CA 1.492 1.628 0 C-N-CA 119.155 -1.018 . . . . 0.0 109.093 178.908 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.11 -38.09 85.03 Favored 'General case' 0 C--N 1.304 -1.401 0 C-N-CA 120.062 -0.655 . . . . 0.0 109.437 -179.939 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . 0.407 ' N ' ' O ' ' B' ' 5' ' ' ILE . 61.2 tt0 -56.0 -40.72 73.77 Favored 'General case' 0 C--N 1.306 -1.303 0 C-N-CA 119.707 -0.797 . . . . 0.0 108.992 -179.465 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -62.76 -43.62 98.33 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.208 -0.933 . . . . 0.0 109.664 178.931 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 13.6 tm-20 -61.08 -44.67 97.01 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.345 -0.847 . . . . 0.0 109.178 -179.643 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . 0.562 ' O ' ' N ' ' B' ' 16' ' ' HIS . 14.6 t60 -60.92 -45.18 95.68 Favored 'General case' 0 C--N 1.298 -1.648 0 C-N-CA 119.323 -0.951 . . . . 0.0 109.231 179.807 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 13.9 tm-20 -60.86 -41.53 96.1 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.19 -0.944 . . . . 0.0 110.081 -178.914 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 26.3 mtpp -64.04 -37.65 88.2 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.167 -0.958 . . . . 0.0 112.505 -178.739 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 46.5 m-85 -131.29 -4.6 3.83 Favored 'General case' 0 N--CA 1.508 2.464 0 O-C-N 120.719 -1.238 . . . . 0.0 112.486 -176.233 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.562 ' N ' ' O ' ' B' ' 12' ' ' HIS . 92.9 m-70 54.77 41.5 31.87 Favored 'General case' 0 N--CA 1.493 1.705 0 N-CA-C 107.468 -1.308 . . . . 0.0 107.468 -177.969 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 8.4 p -60.94 155.12 20.63 Favored 'General case' 0 N--CA 1.488 1.45 0 CA-C-O 121.191 0.52 . . . . 0.0 110.441 -179.036 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -73.31 149.95 42.28 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.299 -0.876 . . . . 0.0 108.849 179.432 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 44.5 p-90 -51.21 -30.14 16.32 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.077 -1.014 . . . . 0.0 110.493 -178.963 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 62.4 mtp180 -63.25 -43.35 98.27 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.692 -1.255 . . . . 0.0 110.516 179.849 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.17 -47.42 64.98 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 120.942 -1.099 . . . . 0.0 108.372 -179.907 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 26.1 mtp -59.5 -44.73 93.03 Favored 'General case' 0 C--N 1.293 -1.865 0 CA-C-O 121.502 0.668 . . . . 0.0 110.146 179.2 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . 0.532 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -59.71 -42.55 93.3 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.088 -1.007 . . . . 0.0 109.16 179.529 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 47.2 m -70.46 -38.48 74.46 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.293 -0.879 . . . . 0.0 109.913 179.514 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -59.7 -42.27 92.64 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.393 -0.817 . . . . 0.0 110.015 -179.21 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -106.06 -3.05 22.02 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 121.393 -0.817 . . . . 0.0 109.653 179.793 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . 0.532 ' N ' ' O ' ' B' ' 23' ' ' ALA . 15.4 t-20 57.41 49.84 12.33 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.584 -0.698 . . . . 0.0 110.048 179.594 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 65.3 mt -115.15 148.11 39.93 Favored Pre-proline 0 N--CA 1.503 2.195 0 O-C-N 121.314 -0.866 . . . . 0.0 109.812 -179.986 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -47.14 145.4 7.69 Favored 'Trans proline' 0 N--CA 1.488 1.189 0 C-N-CA 121.648 1.566 . . . . 0.0 111.676 178.475 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -44.96 -37.51 12.41 Favored 'Trans proline' 0 N--CA 1.488 1.179 0 C-N-CA 121.906 1.737 . . . . 0.0 111.541 179.237 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 47.2 t -53.63 -49.88 53.68 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.814 0 O-C-N 121.684 -0.635 . . . . 0.0 110.664 -178.628 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 61.2 t -63.44 -50.0 80.39 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.749 0 C-N-CA 118.441 -1.303 . . . . 0.0 109.747 -178.758 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.41 -43.09 86.71 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 120.94 -1.1 . . . . 0.0 109.876 179.661 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 23.8 mtpp -62.19 -37.82 86.77 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.972 -1.08 . . . . 0.0 110.253 179.871 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.1 tm-20 -61.65 -39.72 92.35 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.873 -1.142 . . . . 0.0 110.637 -179.025 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 78.2 mt -60.05 -38.9 78.69 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 120.854 -1.154 . . . . 0.0 108.034 179.55 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 85.4 t -61.6 -40.18 85.71 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.478 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 179.089 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . 0.547 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -60.5 -30.55 69.79 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.241 -0.912 . . . . 0.0 108.857 178.717 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 49.8 m -76.52 -29.63 56.83 Favored 'General case' 0 C--N 1.302 -1.486 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 179.933 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 44.4 t -81.6 98.54 8.39 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.467 -0.771 . . . . 0.0 109.223 179.764 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -59.58 -29.45 67.96 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.366 -0.834 . . . . 0.0 110.185 -179.644 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 58.6 mttp -68.2 -38.01 81.52 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.25 -0.907 . . . . 0.0 110.302 -178.457 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 54.9 m -86.75 -33.72 19.87 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 120.991 -1.068 . . . . 0.0 110.847 -179.496 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . 0.586 ' OE1' ' NE2' ' A' ' 44' ' ' GLN . 6.5 tt0 -71.32 -50.59 30.89 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.165 -0.96 . . . . 0.0 111.595 -177.985 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 86.2 mt -84.03 17.86 2.29 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.097 -1.002 . . . . 0.0 110.367 -178.565 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . 0.458 ' C ' ' H ' ' B' ' 48' ' ' GLU . 85.2 tttt -80.96 116.22 20.82 Favored 'General case' 0 C--N 1.296 -1.729 0 O-C-N 121.235 -0.916 . . . . 0.0 109.621 179.842 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 68.95 -7.28 3.18 Favored Glycine 0 N--CA 1.489 2.229 0 N-CA-C 109.954 -1.259 . . . . 0.0 109.954 179.603 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . 0.458 ' H ' ' C ' ' B' ' 46' ' ' LYS . 93.3 mt-10 -98.51 -2.28 39.2 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.231 -1.158 . . . . 0.0 109.524 -179.979 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -77.14 132.27 38.73 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.043 -1.036 . . . . 0.0 109.402 -179.934 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 50' ' ' MET . . . . . 0.477 ' O ' ' O ' ' A' ' 50' ' ' MET . 55.2 mtt -82.19 151.34 26.94 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.507 -0.746 . . . . 0.0 110.802 -178.956 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 72.2 m80 -102.43 134.97 44.89 Favored 'General case' 0 N--CA 1.496 1.85 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 178.995 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . 0.868 ' H ' ' H ' ' A' ' 52' ' ' GLY . . . -88.0 147.52 20.37 Favored Glycine 0 N--CA 1.495 2.569 0 N-CA-C 109.575 -1.41 . . . . 0.0 109.575 -179.405 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 95.5 mm-40 -74.79 -143.79 0.02 OUTLIER 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.001 -1.293 . . . . 0.0 108.521 179.353 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 16.1 t -91.86 0.61 9.22 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.818 0 O-C-N 121.136 -0.978 . . . . 0.0 109.137 -179.785 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 64.6 t0 . . . . . 0 C--N 1.296 -1.727 0 CA-C-O 117.867 -1.063 . . . . 0.0 109.111 179.422 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 . . . . . 0 N--CA 1.488 1.435 0 CA-C-O 121.624 0.726 . . . . 0.0 109.523 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 25.2 mt -72.53 -35.58 68.09 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.548 -0.72 . . . . 0.0 111.669 -178.414 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 61.3 t0 -66.34 -50.7 62.68 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 120.723 -1.235 . . . . 0.0 111.558 -178.478 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.19 -45.59 79.62 Favored Glycine 0 N--CA 1.489 2.188 0 N-CA-C 109.536 -1.426 . . . . 0.0 109.536 -179.035 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.409 ' O ' ' N ' ' A' ' 9' ' ' GLN . 89.7 mt -59.54 -39.96 80.72 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.575 0 O-C-N 121.692 -0.887 . . . . 0.0 110.267 179.903 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -54.65 -46.33 73.97 Favored 'General case' 0 C--N 1.297 -1.678 0 C-N-CA 119.173 -1.011 . . . . 0.0 109.235 -179.496 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -69.93 -41.78 74.16 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.782 -1.199 . . . . 0.0 109.187 178.791 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.36 -35.77 80.03 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.391 -0.818 . . . . 0.0 109.593 179.912 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.409 ' N ' ' O ' ' A' ' 5' ' ' ILE . 59.8 tt0 -59.06 -41.29 87.56 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.281 -0.887 . . . . 0.0 109.655 -179.361 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -60.89 -40.41 92.92 Favored 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 118.743 -1.183 . . . . 0.0 108.748 179.433 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.9 tm-20 -61.19 -40.67 94.79 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.136 -0.978 . . . . 0.0 109.03 179.047 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.545 ' O ' ' N ' ' A' ' 16' ' ' HIS . 16.4 t60 -60.88 -48.17 83.03 Favored 'General case' 0 C--N 1.305 -1.334 0 C-N-CA 119.362 -0.935 . . . . 0.0 109.182 179.277 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -60.25 -40.09 89.07 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.121 -0.987 . . . . 0.0 110.04 -179.55 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt -64.05 -35.08 79.54 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.122 -0.986 . . . . 0.0 112.603 -179.48 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 51.7 m-85 -136.01 -3.75 2.23 Favored 'General case' 0 N--CA 1.511 2.59 0 O-C-N 120.535 -1.353 . . . . 0.0 113.026 -176.908 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.545 ' N ' ' O ' ' A' ' 12' ' ' HIS . 87.8 m-70 53.7 42.68 31.77 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.571 -1.33 . . . . 0.0 107.455 -178.284 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 88.3 p -67.72 156.43 36.98 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.501 -0.75 . . . . 0.0 110.618 -178.393 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -72.74 160.28 32.46 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.517 -0.739 . . . . 0.0 109.03 179.608 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 41.0 p-90 -58.64 -30.75 67.54 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.293 -0.879 . . . . 0.0 110.658 -178.906 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -62.52 -39.97 95.26 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 120.762 -1.211 . . . . 0.0 109.987 179.984 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.85 -49.06 61.53 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 121.251 -0.906 . . . . 0.0 109.594 -179.566 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 77.9 mtm -60.59 -40.06 90.37 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.991 -1.068 . . . . 0.0 109.434 179.717 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.515 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -56.64 -45.65 81.47 Favored 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 119.507 -0.877 . . . . 0.0 109.351 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 15.2 t -69.42 -37.57 77.5 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.288 -0.883 . . . . 0.0 110.345 179.908 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -60.57 -39.63 88.71 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.305 -0.872 . . . . 0.0 110.719 -179.056 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -112.23 -0.49 15.48 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.376 -0.828 . . . . 0.0 109.665 -179.628 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.515 ' N ' ' O ' ' A' ' 23' ' ' ALA . 91.8 m-20 54.84 49.15 18.49 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.64 -0.663 . . . . 0.0 109.614 179.655 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 85.9 mt -112.37 153.42 44.83 Favored Pre-proline 0 N--CA 1.496 1.829 0 N-CA-C 108.45 -0.945 . . . . 0.0 108.45 -179.937 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -60.55 150.62 80.59 Favored 'Trans proline' 0 N--CA 1.492 1.399 0 C-N-CA 121.427 1.418 . . . . 0.0 111.27 179.923 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.463 ' O ' ' CG ' ' A' ' 34' ' ' LYS . 23.7 Cg_exo -44.69 -33.69 7.28 Favored 'Trans proline' 0 C--N 1.311 -1.446 0 C-N-CA 121.939 1.759 . . . . 0.0 111.604 179.36 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 84.9 t -55.43 -49.05 76.02 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.655 0 O-C-N 121.294 -0.879 . . . . 0.0 110.532 -177.836 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 59.7 t -67.95 -47.5 78.78 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.749 0 C-N-CA 118.115 -1.434 . . . . 0.0 109.309 -179.067 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.99 -41.07 87.38 Favored 'General case' 0 C--N 1.301 -1.526 0 C-N-CA 119.654 -0.818 . . . . 0.0 110.278 -179.797 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.463 ' CG ' ' O ' ' A' ' 30' ' ' PRO . 13.6 mmmt -62.51 -39.51 93.77 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.067 -1.021 . . . . 0.0 109.593 179.899 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.7 tm-20 -60.54 -39.68 88.8 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.357 -0.839 . . . . 0.0 110.559 -178.919 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 47.9 mt -59.59 -39.82 80.44 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 120.728 -1.232 . . . . 0.0 108.674 -179.583 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 78.3 t -60.72 -39.72 82.59 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.179 -0.951 . . . . 0.0 108.622 179.27 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.2 -30.76 70.62 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.523 -0.735 . . . . 0.0 109.608 179.528 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.7 m -74.53 -33.43 62.77 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.413 -0.804 . . . . 0.0 109.066 -179.618 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 41.8 t -81.13 103.14 10.73 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.281 -0.887 . . . . 0.0 109.314 179.807 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -61.91 -29.93 70.55 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.245 -0.91 . . . . 0.0 109.94 -179.841 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 50.0 mtpt -68.78 -40.32 79.73 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.176 -0.953 . . . . 0.0 110.262 -178.647 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 80.1 m -84.89 -26.5 27.27 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.639 -1.288 . . . . 0.0 109.714 179.125 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 -77.85 -71.64 0.41 Allowed 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 179.395 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 31.6 mt -83.88 104.09 13.68 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 107.871 -1.159 . . . . 0.0 107.871 178.376 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -90.07 -2.13 58.06 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.174 -0.954 . . . . 0.0 110.326 -178.635 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 115.16 68.56 0.45 Allowed Glycine 0 N--CA 1.498 2.782 0 N-CA-C 109.836 -1.306 . . . . 0.0 109.836 179.581 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -83.83 124.21 30.71 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.217 -1.166 . . . . 0.0 108.6 179.088 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -100.81 160.33 14.45 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.168 -0.958 . . . . 0.0 110.843 -179.192 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.458 ' CG ' ' H ' ' A' ' 51' ' ' HIS . 8.1 tpt -141.83 -128.55 0.1 Allowed 'General case' 0 N--CA 1.489 1.483 0 CA-C-O 121.227 0.536 . . . . 0.0 109.607 179.978 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.458 ' H ' ' CG ' ' A' ' 50' ' ' MET . 45.0 m-70 47.71 -99.62 0.05 Allowed 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.378 -0.826 . . . . 0.0 109.836 -179.485 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 81.75 -79.81 1.81 Allowed Glycine 0 N--CA 1.493 2.466 0 O-C-N 120.789 -1.194 . . . . 0.0 110.178 179.894 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.476 ' O ' ' O ' ' A' ' 54' ' ' VAL . 77.9 mt-30 -83.44 9.38 11.25 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.144 -1.209 . . . . 0.0 109.703 -179.879 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.476 ' O ' ' O ' ' A' ' 53' ' ' GLN . 2.6 t 56.12 157.43 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.893 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 -179.296 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 62.2 t0 . . . . . 0 N--CA 1.497 1.922 0 O-C-N 120.68 -1.262 . . . . 0.0 108.996 179.884 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 . . . . . 0 N--CA 1.491 1.591 0 CA-C-O 121.665 0.745 . . . . 0.0 109.788 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 25.4 mt -74.09 -36.48 64.28 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.495 -0.753 . . . . 0.0 111.776 -178.116 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 54.6 t0 -66.12 -50.34 64.37 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 120.794 -1.192 . . . . 0.0 111.952 -178.129 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.13 -44.64 65.58 Favored Glycine 0 N--CA 1.486 2.019 0 N-CA-C 109.347 -1.501 . . . . 0.0 109.347 -178.821 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 91.7 mt -59.76 -38.7 77.2 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.691 0 O-C-N 121.563 -0.963 . . . . 0.0 110.045 179.758 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -55.78 -45.81 78.07 Favored 'General case' 0 C--N 1.301 -1.502 0 C-N-CA 118.901 -1.12 . . . . 0.0 109.029 -179.384 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -69.68 -42.7 73.78 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 120.869 -1.144 . . . . 0.0 109.323 178.951 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.87 -35.88 81.04 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.273 -0.892 . . . . 0.0 109.663 179.935 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -58.91 -40.62 85.06 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.309 -0.869 . . . . 0.0 109.656 -179.062 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -61.29 -39.83 91.88 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 120.884 -1.135 . . . . 0.0 108.575 178.952 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 14.9 tm-20 -62.05 -42.49 99.23 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.285 -0.885 . . . . 0.0 109.071 179.193 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . 0.524 ' O ' ' N ' ' B' ' 16' ' ' HIS . 14.7 t60 -60.01 -46.53 89.18 Favored 'General case' 0 C--N 1.303 -1.452 0 C-N-CA 119.193 -1.003 . . . . 0.0 108.989 179.762 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -60.55 -39.79 89.23 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.43 -0.794 . . . . 0.0 110.307 -179.911 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -66.03 -30.64 71.21 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.191 -0.943 . . . . 0.0 112.578 -178.902 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -139.4 -4.99 1.43 Allowed 'General case' 0 N--CA 1.508 2.441 0 O-C-N 120.469 -1.395 . . . . 0.0 112.82 -176.87 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.524 ' N ' ' O ' ' B' ' 12' ' ' HIS . 89.8 m-70 54.45 43.2 30.73 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.567 -1.333 . . . . 0.0 107.755 -177.914 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 77.6 p -68.17 155.08 40.38 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.609 -0.682 . . . . 0.0 110.645 -178.865 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 20.0 m120 -71.31 158.65 35.98 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.603 -0.685 . . . . 0.0 109.494 179.659 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 38.5 p-90 -56.96 -30.45 64.09 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.264 -0.897 . . . . 0.0 110.445 -179.256 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -63.68 -39.91 95.49 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.958 -1.089 . . . . 0.0 110.214 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.37 -47.79 63.21 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.227 -0.921 . . . . 0.0 109.639 -179.277 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 77.3 mtm -61.77 -39.94 93.4 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.136 -0.977 . . . . 0.0 109.372 179.391 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . 0.511 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -56.89 -44.84 82.71 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.432 -0.793 . . . . 0.0 109.11 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 12.6 t -69.97 -38.55 76.12 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.317 -0.864 . . . . 0.0 109.707 179.773 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -59.76 -37.36 78.79 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.394 -0.816 . . . . 0.0 111.029 -179.135 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -114.05 -1.94 13.62 Favored 'General case' 0 N--CA 1.5 2.06 0 O-C-N 121.171 -0.956 . . . . 0.0 109.771 -179.464 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . 0.511 ' N ' ' O ' ' B' ' 23' ' ' ALA . 89.5 m-20 55.48 48.13 19.54 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.619 -0.675 . . . . 0.0 109.347 179.886 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 82.8 mt -112.17 152.46 44.42 Favored Pre-proline 0 N--CA 1.499 1.975 0 N-CA-C 108.215 -1.031 . . . . 0.0 108.215 179.732 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -59.99 151.53 71.34 Favored 'Trans proline' 0 N--CA 1.494 1.528 0 C-N-CA 121.604 1.536 . . . . 0.0 111.788 179.677 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . 0.482 ' O ' ' CG ' ' B' ' 34' ' ' LYS . 24.2 Cg_exo -45.31 -33.38 8.67 Favored 'Trans proline' 0 C--N 1.31 -1.491 0 C-N-CA 122.052 1.834 . . . . 0.0 111.97 179.388 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 85.7 t -56.23 -49.49 76.06 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.614 0 C-N-CA 119.513 -0.875 . . . . 0.0 110.522 -177.802 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 57.4 t -67.74 -48.1 77.23 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.664 0 C-N-CA 118.432 -1.307 . . . . 0.0 109.424 -178.813 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.52 -41.08 89.35 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.284 -0.885 . . . . 0.0 110.045 179.93 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.482 ' CG ' ' O ' ' B' ' 30' ' ' PRO . 13.5 mmmt -62.04 -39.84 93.73 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 120.988 -1.07 . . . . 0.0 109.786 179.848 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 12.8 tm-20 -60.48 -38.96 85.97 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.152 -0.967 . . . . 0.0 110.821 -178.927 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 49.2 mt -60.17 -39.87 81.85 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 O-C-N 120.963 -1.086 . . . . 0.0 108.158 -179.641 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 73.7 t -60.11 -39.9 81.81 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.479 0 O-C-N 121.132 -0.98 . . . . 0.0 108.615 179.177 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . 0.455 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -61.9 -30.01 70.59 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.639 -0.663 . . . . 0.0 109.469 179.452 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 34.5 m -75.28 -33.04 61.2 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.127 -0.983 . . . . 0.0 108.985 -179.473 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 41.4 t -80.95 101.84 9.74 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.425 -0.797 . . . . 0.0 109.572 179.743 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 83.1 m-20 -61.2 -29.26 69.7 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.566 -0.709 . . . . 0.0 109.625 -179.843 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 48.2 mtpt -69.71 -39.96 76.57 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.106 -0.996 . . . . 0.0 110.202 -178.697 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 65.6 m -84.65 -28.18 26.61 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 120.657 -1.277 . . . . 0.0 109.319 179.426 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . 0.455 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 6.9 tt0 -76.79 -71.24 0.41 Allowed 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.062 -1.024 . . . . 0.0 108.778 179.606 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 34.8 mt -83.83 103.37 13.05 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 107.619 -1.252 . . . . 0.0 107.619 178.527 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -89.52 -1.86 58.17 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.154 -0.966 . . . . 0.0 110.247 -178.543 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 115.63 67.16 0.42 Allowed Glycine 0 N--CA 1.498 2.776 0 N-CA-C 109.993 -1.243 . . . . 0.0 109.993 179.657 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -82.62 123.75 29.53 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 120.944 -1.327 . . . . 0.0 108.906 179.187 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -100.15 160.54 14.24 Favored 'General case' 0 N--CA 1.502 2.141 0 O-C-N 121.329 -0.857 . . . . 0.0 110.664 -179.381 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 50' ' ' MET . . . . . 0.452 ' CG ' ' H ' ' B' ' 51' ' ' HIS . 7.3 tpt -142.24 -128.7 0.09 Allowed 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 -179.965 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 51' ' ' HIS . . . . . 0.452 ' H ' ' CG ' ' B' ' 50' ' ' MET . 34.7 m-70 48.3 -102.08 0.08 Allowed 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.34 -0.85 . . . . 0.0 109.571 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 83.19 -80.34 1.83 Allowed Glycine 0 N--CA 1.496 2.67 0 N-CA-C 109.54 -1.424 . . . . 0.0 109.54 179.889 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . 0.506 ' O ' ' O ' ' B' ' 54' ' ' VAL . 77.2 mt-30 -83.47 9.92 10.08 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.364 -1.08 . . . . 0.0 109.621 179.826 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.506 ' O ' ' O ' ' B' ' 53' ' ' GLN . 2.7 t 54.72 159.12 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.732 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 -179.669 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 62.4 t0 . . . . . 0 N--CA 1.497 1.892 0 O-C-N 120.354 -1.466 . . . . 0.0 108.88 179.412 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.469 ' CZ ' ' CZ ' ' B' ' 1' ' ' PHE . 45.1 m-85 . . . . . 0 N--CA 1.484 1.261 0 CA-C-O 121.357 0.599 . . . . 0.0 109.828 . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 43.9 mt -69.92 -39.68 76.0 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.339 -0.851 . . . . 0.0 110.994 -178.504 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -63.63 -44.92 92.5 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 120.836 -1.165 . . . . 0.0 110.624 -178.721 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.06 -46.68 50.09 Favored Glycine 0 N--CA 1.492 2.406 0 N-CA-C 109.912 -1.275 . . . . 0.0 109.912 -179.937 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.487 ' O ' ' N ' ' A' ' 9' ' ' GLN . 82.2 mt -59.98 -39.69 80.93 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 121.645 -0.915 . . . . 0.0 110.197 -179.914 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 61.3 t0 -55.11 -46.55 75.57 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.947 -1.096 . . . . 0.0 109.255 -179.39 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -69.96 -42.92 72.52 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.733 -1.229 . . . . 0.0 109.032 178.474 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.21 -36.4 84.06 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.192 -0.942 . . . . 0.0 109.547 -179.897 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.487 ' N ' ' O ' ' A' ' 5' ' ' ILE . 55.4 tt0 -56.32 -42.37 77.53 Favored 'General case' 0 C--N 1.303 -1.426 0 C-N-CA 119.689 -0.804 . . . . 0.0 109.459 -179.648 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 79.9 tt0 -60.8 -40.76 93.9 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.996 -1.065 . . . . 0.0 108.74 178.914 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 15.6 tm-20 -60.48 -41.46 94.26 Favored 'General case' 0 N--CA 1.487 1.398 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 179.435 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.579 ' O ' ' N ' ' A' ' 16' ' ' HIS . 12.9 t60 -61.8 -47.93 82.91 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.186 -0.946 . . . . 0.0 109.815 179.624 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 52.0 tp10 -60.25 -42.48 95.42 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.113 -0.992 . . . . 0.0 110.564 -179.176 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -61.24 -37.45 83.11 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.312 -0.867 . . . . 0.0 112.267 -178.436 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -134.89 -0.89 2.76 Favored 'General case' 0 N--CA 1.505 2.296 0 O-C-N 120.909 -1.12 . . . . 0.0 112.592 -176.722 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.579 ' N ' ' O ' ' A' ' 12' ' ' HIS . 91.0 m-70 52.33 41.26 30.46 Favored 'General case' 0 N--CA 1.501 2.105 0 O-C-N 120.431 -1.418 . . . . 0.0 107.361 -177.99 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 64.5 p -60.32 156.39 15.79 Favored 'General case' 0 C--N 1.303 -1.434 0 CA-C-O 121.523 0.678 . . . . 0.0 110.502 -178.154 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 65.8 m-20 -73.23 158.87 34.37 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.575 -0.703 . . . . 0.0 109.273 -179.721 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.516 ' NE1' ' NH1' ' A' ' 20' ' ' ARG . 18.9 p-90 -56.74 -28.68 61.53 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.342 -0.849 . . . . 0.0 109.432 179.747 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.516 ' NH1' ' NE1' ' A' ' 19' ' ' TRP . 7.3 mtt-85 -63.09 -41.1 99.32 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.207 -0.933 . . . . 0.0 109.39 -179.644 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.0 -48.49 62.95 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.416 -0.802 . . . . 0.0 110.172 -179.238 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 79.0 mtm -61.12 -40.26 93.11 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.129 -0.982 . . . . 0.0 109.81 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.495 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -59.74 -48.53 81.32 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.217 -0.927 . . . . 0.0 109.492 -179.813 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 49.1 m -69.43 -36.6 76.82 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.447 -0.783 . . . . 0.0 110.228 179.843 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -60.22 -38.92 84.84 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.009 -1.057 . . . . 0.0 110.857 -178.592 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -114.19 -0.72 13.85 Favored 'General case' 0 N--CA 1.504 2.226 0 O-C-N 121.186 -0.946 . . . . 0.0 109.702 -179.902 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.495 ' N ' ' O ' ' A' ' 23' ' ' ALA . 51.8 t30 57.63 49.26 12.8 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.516 -0.74 . . . . 0.0 110.32 179.097 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 29.9 mt -114.24 149.1 41.5 Favored Pre-proline 0 N--CA 1.501 2.12 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 179.415 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_exo -49.31 147.16 12.35 Favored 'Trans proline' 0 N--CA 1.492 1.433 0 C-N-CA 121.409 1.406 . . . . 0.0 111.511 179.376 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -44.57 -38.69 12.42 Favored 'Trans proline' 0 C--N 1.315 -1.21 0 C-N-CA 121.765 1.644 . . . . 0.0 111.42 179.459 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 66.6 t -51.0 -47.48 30.43 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.726 0 O-C-N 121.786 -0.571 . . . . 0.0 110.223 -178.561 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 40.3 t -65.89 -48.46 81.9 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.919 0 C-N-CA 118.256 -1.378 . . . . 0.0 109.727 -179.245 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.61 -45.67 82.23 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.444 -0.785 . . . . 0.0 109.787 179.916 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.436 ' NZ ' ' OE2' ' B' ' 35' ' ' GLU . 7.8 mtmp? -61.91 -36.48 81.47 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.016 -1.053 . . . . 0.0 110.146 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -60.15 -38.11 82.16 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.911 -1.118 . . . . 0.0 109.774 -178.998 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 70.1 mt -59.39 -39.97 80.41 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.465 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 179.309 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 60.4 t -62.44 -37.89 79.93 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 179.124 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.438 ' O ' ' OE1' ' A' ' 44' ' ' GLN . . . -60.43 -34.06 73.43 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.158 -0.964 . . . . 0.0 109.283 179.214 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 51.0 m -77.17 -24.24 51.48 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.981 -1.075 . . . . 0.0 109.922 -179.744 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 42.2 t -83.03 106.76 15.11 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.103 -0.998 . . . . 0.0 109.561 -179.951 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -61.76 -32.19 72.43 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.217 -0.927 . . . . 0.0 110.431 -179.943 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 25.3 mtpp -69.88 -44.1 70.45 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.081 -1.012 . . . . 0.0 111.14 -178.478 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 89.4 m -82.5 -31.87 29.06 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.8 -1.188 . . . . 0.0 109.959 179.898 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.438 ' OE1' ' O ' ' A' ' 38' ' ' ALA . 42.6 tt0 -70.11 -48.58 56.96 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.116 -0.99 . . . . 0.0 110.994 -178.754 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.6 mt -83.23 20.09 1.35 Allowed 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.004 -1.06 . . . . 0.0 110.009 -179.11 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 26.3 ttpp -85.35 127.48 34.36 Favored 'General case' 0 C--N 1.295 -1.763 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 179.081 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 132.75 -141.21 12.56 Favored Glycine 0 N--CA 1.498 2.786 0 N-CA-C 108.824 -1.71 . . . . 0.0 108.824 -179.263 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.451 ' N ' ' OE1' ' A' ' 48' ' ' GLU . 52.1 mp0 -87.78 132.81 34.02 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 120.866 -1.373 . . . . 0.0 109.529 179.779 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 178.94 66.45 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.352 0 O-C-N 121.321 -0.862 . . . . 0.0 109.356 -179.611 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 25.2 ptt? -171.08 170.29 6.23 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.086 -1.009 . . . . 0.0 109.453 -179.911 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 73.3 t60 52.89 48.23 22.91 Favored 'General case' 0 N--CA 1.486 1.367 0 O-C-N 121.443 -0.786 . . . . 0.0 109.358 -179.913 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -83.14 -50.18 4.68 Favored Glycine 0 N--CA 1.492 2.409 0 N-CA-C 109.413 -1.475 . . . . 0.0 109.413 -179.967 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 -83.29 170.32 14.75 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.159 -1.201 . . . . 0.0 109.437 179.812 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.0 t 62.39 157.57 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.82 0 O-C-N 121.507 -0.746 . . . . 0.0 109.176 -179.583 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 . . . . . 0 N--CA 1.492 1.674 0 CA-C-O 117.837 -1.078 . . . . 0.0 109.251 -179.987 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . 0.469 ' CZ ' ' CZ ' ' A' ' 1' ' ' PHE . 42.3 m-85 . . . . . 0 N--CA 1.49 1.535 0 CA-C-O 121.447 0.642 . . . . 0.0 109.599 . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 43.8 mt -70.23 -39.94 74.78 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.352 -0.842 . . . . 0.0 111.192 -178.821 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -64.46 -44.68 90.31 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.785 -1.197 . . . . 0.0 110.518 -178.701 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.64 -47.22 50.56 Favored Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.672 -1.371 . . . . 0.0 109.672 -179.719 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . 0.4 ' O ' ' N ' ' B' ' 9' ' ' GLN . 80.5 mt -59.59 -38.69 76.76 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.619 -0.93 . . . . 0.0 110.112 -179.954 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 59.0 t0 -56.35 -45.96 80.19 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 120.968 -1.082 . . . . 0.0 109.448 -179.24 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -70.25 -42.7 71.85 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.133 -0.979 . . . . 0.0 108.953 178.243 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.43 -37.72 87.74 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.239 -0.913 . . . . 0.0 109.498 179.824 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . 0.4 ' N ' ' O ' ' B' ' 5' ' ' ILE . 55.2 tt0 -55.68 -41.84 74.29 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.326 -0.859 . . . . 0.0 109.291 -179.279 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 80.1 tt0 -61.26 -40.07 92.7 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.024 -1.047 . . . . 0.0 108.579 178.929 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 -61.19 -42.43 98.56 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.3 -0.875 . . . . 0.0 108.907 179.17 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . 0.59 ' O ' ' N ' ' B' ' 16' ' ' HIS . 12.4 t60 -60.77 -48.27 82.58 Favored 'General case' 0 C--N 1.305 -1.331 0 O-C-N 121.373 -0.829 . . . . 0.0 109.778 179.532 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 50.0 tp10 -60.09 -41.24 92.06 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.853 -1.154 . . . . 0.0 110.846 -179.165 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -61.82 -38.77 89.41 Favored 'General case' 0 C--N 1.299 -1.629 0 O-C-N 121.108 -0.995 . . . . 0.0 112.244 -178.412 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -133.21 -1.47 3.23 Favored 'General case' 0 N--CA 1.506 2.352 0 O-C-N 121.114 -0.991 . . . . 0.0 112.92 -176.506 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.59 ' N ' ' O ' ' B' ' 12' ' ' HIS . 90.7 m-70 52.85 42.34 31.95 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 120.305 -1.497 . . . . 0.0 107.347 -177.833 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 79.4 p -61.3 155.94 19.98 Favored 'General case' 0 C--N 1.3 -1.565 0 CA-C-O 121.529 0.68 . . . . 0.0 110.701 -178.249 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 67.7 m-20 -72.55 159.93 33.11 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.226 -0.921 . . . . 0.0 109.454 -179.936 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 19' ' ' TRP . . . . . 0.515 ' NE1' ' NH1' ' B' ' 20' ' ' ARG . 19.8 p-90 -57.68 -28.99 64.28 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.098 -1.001 . . . . 0.0 109.402 179.616 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . 0.515 ' NH1' ' NE1' ' B' ' 19' ' ' TRP . 7.8 mtt-85 -62.49 -41.34 98.74 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.18 -0.95 . . . . 0.0 109.282 -179.466 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.7 -48.79 62.97 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.462 -0.774 . . . . 0.0 110.087 -179.483 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 79.3 mtm -60.97 -39.96 91.55 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.027 -1.045 . . . . 0.0 109.658 -179.753 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . 0.503 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -60.01 -48.76 80.36 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.089 -1.007 . . . . 0.0 109.61 -179.94 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 44.9 m -69.73 -34.84 74.41 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.324 -0.86 . . . . 0.0 110.275 179.692 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -61.12 -39.91 91.8 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.939 -1.101 . . . . 0.0 110.471 -178.539 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -113.31 -1.12 14.34 Favored 'General case' 0 N--CA 1.502 2.172 0 O-C-N 121.186 -0.946 . . . . 0.0 109.804 -179.959 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . 0.503 ' N ' ' O ' ' B' ' 23' ' ' ALA . 49.2 t30 58.14 49.52 11.28 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.425 -0.797 . . . . 0.0 110.375 179.121 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 29.8 mt -114.08 149.76 42.47 Favored Pre-proline 0 N--CA 1.498 1.966 0 O-C-N 121.536 -0.728 . . . . 0.0 109.086 179.149 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_exo -49.36 145.54 15.55 Favored 'Trans proline' 0 N--CA 1.491 1.338 0 C-N-CA 121.281 1.32 . . . . 0.0 111.543 179.0 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -44.26 -37.41 10.14 Favored 'Trans proline' 0 C--N 1.313 -1.298 0 C-N-CA 121.783 1.655 . . . . 0.0 111.389 179.829 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 78.4 t -51.71 -47.68 38.55 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.83 0 O-C-N 121.554 -0.716 . . . . 0.0 110.065 -178.783 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 33.7 t -65.59 -48.84 81.21 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.762 0 C-N-CA 118.379 -1.328 . . . . 0.0 109.528 -179.457 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.81 -45.89 84.32 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.315 -0.866 . . . . 0.0 109.689 -179.879 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 7.8 mtmp? -62.54 -36.3 82.18 Favored 'General case' 0 N--CA 1.484 1.241 0 O-C-N 120.935 -1.103 . . . . 0.0 110.351 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . 0.436 ' OE2' ' NZ ' ' A' ' 34' ' ' LYS . 7.8 tm-20 -60.33 -37.79 81.7 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.013 -1.054 . . . . 0.0 109.522 -178.922 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 67.6 mt -59.76 -39.8 80.78 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.277 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 179.214 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 59.3 t -62.65 -38.02 80.51 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.385 0 O-C-N 121.139 -0.976 . . . . 0.0 108.474 179.514 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . 0.58 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -60.12 -35.35 75.06 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.308 -0.87 . . . . 0.0 109.15 179.318 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 48.8 m -75.55 -24.5 56.72 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.812 -1.18 . . . . 0.0 109.858 -179.741 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 40.5 t -82.86 106.48 14.73 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.024 -1.047 . . . . 0.0 109.837 -179.773 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 -61.41 -33.19 73.27 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.546 -0.721 . . . . 0.0 110.393 -179.974 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 25.1 mtpp -69.18 -44.92 71.21 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.973 -1.08 . . . . 0.0 110.985 -178.795 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 88.1 m -81.92 -32.17 31.01 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 120.64 -1.288 . . . . 0.0 110.038 -179.854 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . 0.58 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 5.8 tt0 -69.85 -47.8 61.28 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.199 -0.938 . . . . 0.0 111.028 -178.626 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 96.9 mt -83.36 19.45 1.52 Allowed 'General case' 0 N--CA 1.5 2.06 0 O-C-N 120.914 -1.116 . . . . 0.0 110.116 -179.38 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 26.1 ttpp -84.34 127.48 34.01 Favored 'General case' 0 C--N 1.293 -1.871 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 179.513 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 132.89 -141.6 13.0 Favored Glycine 0 N--CA 1.498 2.795 0 N-CA-C 108.769 -1.732 . . . . 0.0 108.769 -179.613 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . 0.424 ' OE1' ' N ' ' B' ' 48' ' ' GLU . 51.5 mp0 -86.94 134.82 33.47 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.105 -1.232 . . . . 0.0 109.59 179.55 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . 176.49 64.55 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.267 -0.896 . . . . 0.0 109.579 -179.716 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 24.7 ptt? -169.52 167.47 9.78 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.373 -0.829 . . . . 0.0 109.329 -179.939 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 69.3 t60 55.51 47.63 20.55 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.545 -0.722 . . . . 0.0 109.792 179.967 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -83.17 -47.63 5.7 Favored Glycine 0 N--CA 1.496 2.678 0 N-CA-C 109.2 -1.56 . . . . 0.0 109.2 179.612 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -84.22 169.18 15.02 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.399 -1.059 . . . . 0.0 109.525 179.861 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 3.1 t 62.82 158.08 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 -179.486 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 . . . . . 0 N--CA 1.492 1.65 0 O-C-N 121.009 -1.057 . . . . 0.0 109.547 -179.51 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 72.4 m-85 . . . . . 0 N--CA 1.494 1.751 0 CA-C-O 121.313 0.578 . . . . 0.0 110.16 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 18.9 mt -70.38 -37.75 74.6 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.165 -0.959 . . . . 0.0 111.366 -178.377 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 83.1 m-20 -61.86 -51.63 67.41 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.065 -1.022 . . . . 0.0 111.511 -178.081 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.6 -45.73 82.32 Favored Glycine 0 N--CA 1.491 2.365 0 N-CA-C 109.367 -1.493 . . . . 0.0 109.367 -179.532 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 87.9 mt -59.1 -38.34 73.53 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.621 0 O-C-N 121.317 -1.107 . . . . 0.0 110.386 -179.807 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 60.7 t0 -54.36 -46.8 73.07 Favored 'General case' 0 C--N 1.3 -1.585 0 C-N-CA 118.612 -1.235 . . . . 0.0 109.022 -179.131 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 58.3 mttm -70.0 -40.2 75.41 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.092 -1.005 . . . . 0.0 109.217 178.599 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.71 -38.86 87.6 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.607 -0.683 . . . . 0.0 109.574 179.628 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -57.38 -40.22 77.7 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.383 -0.823 . . . . 0.0 109.64 -179.083 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -62.25 -40.54 96.52 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 120.861 -1.149 . . . . 0.0 108.807 178.899 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 32.1 tp10 -59.96 -39.73 86.61 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.371 -0.83 . . . . 0.0 109.34 179.405 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.563 ' O ' ' N ' ' A' ' 16' ' ' HIS . 14.2 t60 -63.19 -46.7 85.86 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.172 -0.955 . . . . 0.0 109.834 179.854 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -61.14 -40.69 94.79 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.214 -0.929 . . . . 0.0 110.477 -179.198 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.4 mtpp -61.32 -36.6 80.59 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.628 -0.67 . . . . 0.0 112.435 -178.208 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -136.81 -1.33 2.24 Favored 'General case' 0 N--CA 1.509 2.525 0 O-C-N 121.015 -1.053 . . . . 0.0 112.452 -177.279 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.563 ' N ' ' O ' ' A' ' 12' ' ' HIS . 92.6 m-70 52.87 43.49 31.49 Favored 'General case' 0 N--CA 1.503 2.22 0 O-C-N 120.091 -1.63 . . . . 0.0 107.531 -177.462 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 76.6 p -63.66 160.22 17.37 Favored 'General case' 0 N--CA 1.495 1.811 0 CA-C-O 121.399 0.618 . . . . 0.0 110.905 -178.37 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -75.65 158.08 32.85 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.964 -1.085 . . . . 0.0 109.091 179.454 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 47.6 p-90 -57.54 -27.47 62.64 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.202 -0.936 . . . . 0.0 109.593 179.967 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 60.5 mtt-85 -63.11 -40.66 98.26 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.306 -0.871 . . . . 0.0 110.911 179.484 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.33 -50.39 53.65 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.315 -0.865 . . . . 0.0 109.337 -179.506 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 59.5 mtm -60.44 -39.87 89.08 Favored 'General case' 0 C--N 1.298 -1.633 0 C-N-CA 119.561 -0.856 . . . . 0.0 109.318 -179.958 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.458 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -57.71 -48.34 79.86 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 119.158 -1.017 . . . . 0.0 108.628 179.51 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 19.9 m -70.88 -35.34 72.31 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.215 -0.928 . . . . 0.0 109.897 179.676 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 56.8 t0 -58.86 -40.86 85.58 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.928 -1.108 . . . . 0.0 110.23 -178.859 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -112.41 0.94 15.77 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 121.218 -0.926 . . . . 0.0 110.511 -179.988 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.458 ' N ' ' O ' ' A' ' 23' ' ' ALA . 5.7 t-20 59.67 49.75 7.93 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.175 -0.953 . . . . 0.0 109.819 179.708 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 76.6 mt -117.0 152.43 48.71 Favored Pre-proline 0 N--CA 1.501 2.1 0 O-C-N 121.721 -0.612 . . . . 0.0 109.377 -179.666 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo -61.71 146.61 96.59 Favored 'Trans proline' 0 C--N 1.308 -1.598 0 C-N-CA 121.408 1.405 . . . . 0.0 111.84 -179.276 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.458 ' O ' ' N ' ' A' ' 34' ' ' LYS . 34.1 Cg_exo -41.4 -36.46 2.79 Favored 'Trans proline' 0 C--N 1.316 -1.17 0 C-N-CA 122.258 1.972 . . . . 0.0 112.004 -179.803 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 87.5 t -53.57 -49.67 54.32 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.671 0 O-C-N 121.224 -0.922 . . . . 0.0 110.454 -178.525 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 60.0 t -66.14 -49.48 75.92 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.748 0 C-N-CA 118.841 -1.144 . . . . 0.0 109.31 -179.105 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.77 -41.09 92.46 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.138 -0.976 . . . . 0.0 110.257 179.738 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 30' ' ' PRO . 2.9 mmmm -62.65 -39.12 92.9 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 120.776 -1.202 . . . . 0.0 110.053 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.1 tm-20 -60.84 -38.61 86.08 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 120.999 -1.063 . . . . 0.0 110.091 -178.917 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 60.3 mt -58.98 -39.94 79.36 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.387 0 C-N-CA 119.079 -1.048 . . . . 0.0 108.903 -179.715 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 93.5 t -63.47 -40.06 87.64 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 120.809 -1.182 . . . . 0.0 108.933 179.107 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.06 -29.94 70.04 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.507 -0.746 . . . . 0.0 109.742 179.812 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 68.1 m -78.01 -26.22 48.39 Favored 'General case' 0 C--N 1.298 -1.668 0 O-C-N 121.097 -1.002 . . . . 0.0 109.718 -179.161 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 28.3 t -82.02 104.32 12.29 Favored 'General case' 0 N--CA 1.489 1.498 0 CA-C-O 121.754 0.788 . . . . 0.0 109.249 179.89 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -60.49 -30.31 69.62 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.87 -0.519 . . . . 0.0 110.543 -179.121 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 57.3 mttp -69.94 -40.33 75.55 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.278 -0.889 . . . . 0.0 110.768 -178.858 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 66.8 m -84.01 -24.67 30.44 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 120.66 -1.275 . . . . 0.0 109.643 179.916 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -75.32 -67.88 0.61 Allowed 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.056 -1.027 . . . . 0.0 109.65 -179.496 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 75.7 mt -82.31 109.76 16.86 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 108.817 -0.809 . . . . 0.0 108.817 -179.897 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.495 ' O ' ' N ' ' A' ' 48' ' ' GLU . 78.7 tttt -91.78 148.6 22.12 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.46 -0.775 . . . . 0.0 109.083 179.625 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -47.7 -12.84 0.14 Allowed Glycine 0 N--CA 1.494 2.546 0 C-N-CA 119.672 -1.251 . . . . 0.0 110.35 -179.407 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.495 ' N ' ' O ' ' A' ' 46' ' ' LYS . 91.8 mt-10 -78.35 -10.41 59.67 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 120.683 -1.48 . . . . 0.0 109.254 179.925 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -76.91 -23.66 52.49 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.922 -1.111 . . . . 0.0 108.856 179.814 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 60.8 mtt -99.09 146.16 26.38 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.53 -0.731 . . . . 0.0 109.265 -179.99 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 61.1 t60 51.76 50.09 19.43 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.541 -0.724 . . . . 0.0 109.634 -179.389 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -93.56 -44.34 3.72 Favored Glycine 0 N--CA 1.493 2.491 0 N-CA-C 109.985 -1.246 . . . . 0.0 109.985 179.898 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -97.41 -168.25 1.66 Allowed 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.273 -1.133 . . . . 0.0 109.602 -179.848 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 11.1 t 60.07 158.37 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.935 0 O-C-N 121.169 -0.957 . . . . 0.0 109.607 -179.936 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 38.0 t0 . . . . . 0 N--CA 1.497 1.914 0 CA-C-O 118.06 -0.971 . . . . 0.0 109.804 -179.86 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 . . . . . 0 N--CA 1.49 1.567 0 CA-C-O 121.484 0.659 . . . . 0.0 109.693 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 18.7 mt -69.88 -37.75 76.15 Favored 'General case' 0 C--N 1.299 -1.625 0 O-C-N 121.156 -0.965 . . . . 0.0 111.999 -178.192 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -61.88 -52.16 65.24 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 120.991 -1.068 . . . . 0.0 111.424 -177.785 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.18 -43.36 89.77 Favored Glycine 0 N--CA 1.495 2.579 0 N-CA-C 109.734 -1.347 . . . . 0.0 109.734 -179.334 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . 0.472 ' O ' ' N ' ' B' ' 9' ' ' GLN . 92.3 mt -59.81 -38.53 76.53 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.427 -1.043 . . . . 0.0 109.211 179.512 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -53.45 -47.91 69.28 Favored 'General case' 0 C--N 1.303 -1.449 0 C-N-CA 118.665 -1.214 . . . . 0.0 108.96 -179.573 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 59.6 mttm -69.79 -41.32 75.23 Favored 'General case' 0 C--N 1.303 -1.437 0 C-N-CA 119.125 -1.03 . . . . 0.0 109.081 179.534 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.46 -37.52 85.31 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.417 -0.802 . . . . 0.0 109.549 179.662 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . 0.472 ' N ' ' O ' ' B' ' 5' ' ' ILE . 56.9 tt0 -57.61 -41.32 81.05 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.225 -0.922 . . . . 0.0 109.022 -178.567 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.38 -41.12 93.1 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 120.979 -1.076 . . . . 0.0 108.913 178.855 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 31.7 tp10 -60.1 -40.82 90.98 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.331 -0.856 . . . . 0.0 108.896 -179.699 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . 0.557 ' O ' ' N ' ' B' ' 16' ' ' HIS . 15.6 t60 -61.28 -47.32 86.54 Favored 'General case' 0 C--N 1.3 -1.552 0 C-N-CA 119.623 -0.831 . . . . 0.0 110.14 179.384 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -60.37 -41.75 94.39 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.329 -0.857 . . . . 0.0 110.18 -178.777 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 23.6 mtpp -60.79 -36.52 79.23 Favored 'General case' 0 N--CA 1.495 1.8 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 -178.337 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -136.96 -3.17 2.03 Favored 'General case' 0 N--CA 1.512 2.649 0 O-C-N 120.792 -1.193 . . . . 0.0 112.4 -177.446 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.557 ' N ' ' O ' ' B' ' 12' ' ' HIS . 91.6 m-70 55.88 42.02 29.35 Favored 'General case' 0 N--CA 1.502 2.174 0 N-CA-C 107.421 -1.325 . . . . 0.0 107.421 -178.201 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 81.7 p -63.26 158.67 19.59 Favored 'General case' 0 N--CA 1.491 1.576 0 CA-C-O 121.618 0.723 . . . . 0.0 110.935 -178.311 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 -74.08 157.41 36.11 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.066 -1.021 . . . . 0.0 109.115 179.624 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 50.5 p-90 -56.69 -27.04 58.12 Favored 'General case' 0 C--N 1.299 -1.604 0 C-N-CA 119.781 -0.768 . . . . 0.0 109.556 179.564 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 58.2 mtt-85 -63.48 -40.05 96.06 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.29 -0.881 . . . . 0.0 110.983 179.509 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.15 -49.17 59.24 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.193 -0.942 . . . . 0.0 109.52 -179.004 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 61.0 mtm -61.04 -40.24 92.87 Favored 'General case' 0 C--N 1.3 -1.582 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 179.707 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . 0.482 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -57.69 -49.59 76.02 Favored 'General case' 0 C--N 1.304 -1.391 0 C-N-CA 118.909 -1.116 . . . . 0.0 108.734 179.015 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 19.8 m -69.72 -34.15 73.47 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.689 -0.632 . . . . 0.0 109.971 179.326 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -60.68 -43.14 98.07 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.971 -1.081 . . . . 0.0 110.26 -179.591 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -110.78 1.83 18.0 Favored 'General case' 0 N--CA 1.503 2.197 0 O-C-N 120.974 -1.079 . . . . 0.0 110.523 -179.625 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . 0.482 ' N ' ' O ' ' B' ' 23' ' ' ALA . 6.9 t-20 58.09 51.24 8.95 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.923 -1.11 . . . . 0.0 109.528 179.051 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 78.4 mt -117.67 151.87 49.03 Favored Pre-proline 0 N--CA 1.501 2.106 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 -179.565 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_endo -60.59 146.16 97.54 Favored 'Trans proline' 0 N--CA 1.491 1.332 0 C-N-CA 121.595 1.53 . . . . 0.0 111.261 -179.833 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . 0.475 ' O ' ' N ' ' B' ' 34' ' ' LYS . 31.5 Cg_exo -42.19 -34.95 3.11 Favored 'Trans proline' 0 N--CA 1.488 1.193 0 C-N-CA 122.235 1.957 . . . . 0.0 111.785 -179.735 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 92.9 t -53.46 -48.26 57.96 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.707 0 O-C-N 121.205 -0.934 . . . . 0.0 110.744 -178.385 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 60.2 t -68.39 -47.45 77.57 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.693 0 C-N-CA 118.807 -1.157 . . . . 0.0 109.403 -178.906 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.11 -41.16 86.68 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.118 -0.988 . . . . 0.0 109.704 179.629 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.475 ' N ' ' O ' ' B' ' 30' ' ' PRO . 2.7 mmmm -62.34 -39.39 92.93 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.361 -0.837 . . . . 0.0 109.932 179.774 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 7.7 tm-20 -60.61 -39.42 88.07 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.073 -1.017 . . . . 0.0 110.159 -178.658 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 57.8 mt -59.19 -39.54 78.94 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.754 0 O-C-N 120.611 -1.305 . . . . 0.0 109.27 179.941 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 91.4 t -63.6 -40.32 88.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 C-N-CA 118.911 -1.115 . . . . 0.0 108.833 179.555 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . 0.566 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -60.57 -30.23 69.67 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.482 -0.761 . . . . 0.0 109.551 179.403 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 49.6 m -78.57 -24.27 45.64 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 120.593 -1.317 . . . . 0.0 109.845 -179.742 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 28.5 t -81.88 104.4 12.23 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.003 -1.06 . . . . 0.0 108.768 179.222 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 -60.99 -31.1 70.71 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.566 -0.709 . . . . 0.0 110.313 -178.934 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 58.2 mttp -69.58 -40.89 76.44 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.251 -0.906 . . . . 0.0 110.643 -178.913 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 63.1 m -83.16 -23.26 33.01 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 120.586 -1.321 . . . . 0.0 109.437 179.772 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . 0.566 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 16.3 tt0 -76.33 -69.02 0.53 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.96 -1.087 . . . . 0.0 109.846 -179.393 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 84.0 mt -80.79 112.24 17.98 Favored 'General case' 0 C--N 1.299 -1.591 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 -179.898 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . 0.536 ' O ' ' N ' ' B' ' 48' ' ' GLU . 78.1 tttt -94.4 148.15 22.52 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 120.972 -1.08 . . . . 0.0 108.39 -179.896 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -45.82 -14.57 0.08 OUTLIER Glycine 0 N--CA 1.491 2.323 0 C-N-CA 119.77 -1.205 . . . . 0.0 110.265 -178.911 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . 0.536 ' N ' ' O ' ' B' ' 46' ' ' LYS . 90.9 mt-10 -77.23 -11.57 59.84 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.922 -1.34 . . . . 0.0 110.287 -179.671 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -77.0 -21.96 53.87 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.731 -1.231 . . . . 0.0 109.059 179.723 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 63.7 mtt -100.09 142.39 31.63 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.339 -0.851 . . . . 0.0 109.313 179.624 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 59.3 t60 55.06 49.88 16.57 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.702 -0.624 . . . . 0.0 109.542 -179.248 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -92.66 -45.4 3.7 Favored Glycine 0 N--CA 1.496 2.642 0 N-CA-C 109.122 -1.591 . . . . 0.0 109.122 179.627 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -96.24 -169.14 1.86 Allowed 'General case' 0 N--CA 1.504 2.271 0 O-C-N 121.515 -0.991 . . . . 0.0 109.832 -179.844 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 6.6 t 60.44 161.54 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 121.488 -0.757 . . . . 0.0 109.103 -179.626 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 39.7 t0 . . . . . 0 N--CA 1.49 1.564 0 CA-C-O 117.809 -1.091 . . . . 0.0 109.835 -178.928 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 . . . . . 0 N--CA 1.493 1.684 0 CA-C-O 121.207 0.527 . . . . 0.0 110.223 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 19.8 mt -70.37 -40.5 73.96 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.371 -0.831 . . . . 0.0 110.819 -178.243 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -67.44 -46.37 73.33 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.77 -1.207 . . . . 0.0 110.677 -179.2 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.01 -49.7 45.78 Favored Glycine 0 N--CA 1.496 2.677 0 C-N-CA 120.049 -1.072 . . . . 0.0 110.433 -179.04 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 81.6 mt -58.58 -37.91 67.74 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.763 0 O-C-N 121.302 -1.117 . . . . 0.0 110.057 -179.648 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -54.65 -46.85 74.06 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 120.708 -1.245 . . . . 0.0 108.566 -179.5 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 46.9 mtpt -69.32 -45.38 69.62 Favored 'General case' 0 C--N 1.302 -1.482 0 C-N-CA 119.27 -0.972 . . . . 0.0 109.276 179.167 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.42 -36.87 85.56 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.429 -0.795 . . . . 0.0 109.761 -179.689 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -56.66 -41.29 76.97 Favored 'General case' 0 C--N 1.307 -1.239 0 C-N-CA 119.483 -0.887 . . . . 0.0 108.833 -179.573 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -61.59 -42.82 99.41 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 120.753 -1.217 . . . . 0.0 108.749 179.076 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 34.5 tp10 -61.06 -41.02 95.83 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.24 -0.912 . . . . 0.0 108.59 179.304 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.535 ' O ' ' N ' ' A' ' 16' ' ' HIS . 13.0 t60 -61.01 -48.03 83.7 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.231 -0.918 . . . . 0.0 110.259 179.913 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -59.73 -42.09 92.35 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.226 -0.921 . . . . 0.0 110.443 -178.858 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -61.85 -30.32 70.77 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.293 -0.88 . . . . 0.0 112.806 -178.79 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -139.48 -8.12 1.29 Allowed 'General case' 0 N--CA 1.509 2.495 0 O-C-N 120.54 -1.35 . . . . 0.0 112.244 -177.342 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.535 ' N ' ' O ' ' A' ' 12' ' ' HIS . 91.6 m-70 55.5 41.92 30.33 Favored 'General case' 0 N--CA 1.494 1.766 0 N-CA-C 107.349 -1.352 . . . . 0.0 107.349 -177.424 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 99.1 p -63.21 157.32 22.86 Favored 'General case' 0 C--N 1.305 -1.336 0 CA-C-O 121.426 0.632 . . . . 0.0 109.751 -179.338 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 74.3 m-20 -72.6 159.48 33.82 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.237 -0.914 . . . . 0.0 108.995 179.651 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 40.2 p-90 -57.81 -29.51 64.96 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.16 -0.963 . . . . 0.0 110.186 -179.593 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 81.7 mtm180 -63.46 -40.77 98.0 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.004 -1.06 . . . . 0.0 110.512 -179.857 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.03 -46.94 66.68 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 120.98 -1.075 . . . . 0.0 109.463 -179.113 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 76.9 mtm -61.66 -40.53 95.26 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.429 -0.794 . . . . 0.0 109.68 179.251 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.475 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -58.58 -46.27 87.3 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.175 -0.953 . . . . 0.0 108.968 -179.673 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 67.9 m -70.32 -35.65 73.78 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.28 -0.887 . . . . 0.0 109.414 178.881 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 52.0 t0 -61.02 -40.78 94.86 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.343 -0.848 . . . . 0.0 110.112 -179.413 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -107.95 -0.6 21.29 Favored 'General case' 0 N--CA 1.504 2.24 0 O-C-N 121.467 -0.77 . . . . 0.0 110.626 -179.9 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.475 ' N ' ' O ' ' A' ' 23' ' ' ALA . 10.3 t-20 57.74 45.75 18.33 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.361 -0.837 . . . . 0.0 109.615 -179.848 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 46.9 mt -115.95 151.32 46.35 Favored Pre-proline 0 N--CA 1.504 2.242 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 179.685 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -61.53 151.49 79.6 Favored 'Trans proline' 0 N--CA 1.493 1.47 0 C-N-CA 121.902 1.735 . . . . 0.0 111.77 -179.383 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_exo -43.82 -34.84 6.29 Favored 'Trans proline' 0 C--N 1.315 -1.219 0 C-N-CA 122.059 1.839 . . . . 0.0 111.642 179.896 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 71.8 t -52.03 -49.83 37.25 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.775 0 O-C-N 121.376 -0.827 . . . . 0.0 110.425 -178.328 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 88.9 t -68.81 -49.31 65.06 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.623 0 C-N-CA 118.896 -1.122 . . . . 0.0 109.782 -179.283 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.44 -43.42 94.36 Favored 'General case' 0 C--N 1.3 -1.568 0 C-N-CA 119.614 -0.835 . . . . 0.0 110.237 -179.791 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 26.4 mtpp -61.71 -36.33 80.63 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 120.701 -1.25 . . . . 0.0 110.238 179.963 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.3 tm-20 -62.34 -38.64 90.28 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.051 -1.031 . . . . 0.0 110.24 -178.726 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 21.1 mt -60.63 -40.64 85.29 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.129 -0.982 . . . . 0.0 109.043 179.948 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 98.7 t -62.73 -39.0 83.13 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.452 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 179.261 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.16 -33.82 72.72 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.821 -0.549 . . . . 0.0 109.663 179.748 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 20.2 m -78.04 -25.41 47.78 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.053 -1.029 . . . . 0.0 109.456 -179.499 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 47.0 t -82.15 99.96 9.54 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.1 -1.0 . . . . 0.0 109.137 179.835 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -60.46 -29.81 69.27 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.34 -0.85 . . . . 0.0 109.976 -179.778 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 52.6 mtpt -69.1 -39.21 79.13 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.141 -0.974 . . . . 0.0 110.545 -178.926 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 59.9 m -84.95 -22.05 29.35 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.736 -1.227 . . . . 0.0 108.984 179.298 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -73.39 -78.04 0.1 Allowed 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.211 -0.931 . . . . 0.0 109.009 -179.839 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 49.3 mt -79.9 89.58 5.29 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 120.727 -1.233 . . . . 0.0 108.397 178.924 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 20.6 pttm -92.41 -6.11 50.67 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.629 -0.669 . . . . 0.0 109.801 -179.817 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 159.67 -171.5 36.08 Favored Glycine 0 N--CA 1.496 2.661 0 N-CA-C 110.181 -1.168 . . . . 0.0 110.181 179.535 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 47.45 -129.98 1.56 Allowed 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.546 -0.973 . . . . 0.0 109.361 179.488 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.462 ' O ' ' O ' ' B' ' 49' ' ' ALA . . . 53.98 96.38 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.001 -1.062 . . . . 0.0 109.551 179.943 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 21.5 mmt 55.61 43.67 27.84 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.089 -1.007 . . . . 0.0 110.615 179.154 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.538 ' C ' ' H ' ' A' ' 53' ' ' GLN . 38.7 t-80 -114.27 28.28 8.86 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.406 -0.809 . . . . 0.0 109.572 179.807 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -72.51 19.42 1.13 Allowed Glycine 0 N--CA 1.491 2.309 0 N-CA-C 109.522 -1.431 . . . . 0.0 109.522 -179.941 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.538 ' H ' ' C ' ' A' ' 51' ' ' HIS . 93.9 mt-30 54.58 46.43 24.83 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.422 -1.046 . . . . 0.0 109.412 -179.88 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.528 ' CG1' ' N ' ' A' ' 55' ' ' ASP . 0.4 OUTLIER 64.84 -169.53 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.927 0 O-C-N 121.706 -0.621 . . . . 0.0 109.574 179.65 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.528 ' N ' ' CG1' ' A' ' 54' ' ' VAL . 56.6 t0 . . . . . 0 N--CA 1.491 1.609 0 CA-C-O 118.115 -0.945 . . . . 0.0 109.228 -179.837 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 . . . . . 0 N--CA 1.492 1.641 0 CA-C-O 121.424 0.63 . . . . 0.0 110.103 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 22.1 mt -70.88 -41.21 71.64 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.306 -0.871 . . . . 0.0 110.784 -178.144 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 53.5 t0 -67.51 -45.98 74.22 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.747 -1.221 . . . . 0.0 110.408 -179.149 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.8 -50.08 44.43 Favored Glycine 0 N--CA 1.494 2.504 0 C-N-CA 119.993 -1.098 . . . . 0.0 110.653 -179.336 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 83.4 mt -58.67 -38.07 69.35 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.568 0 O-C-N 121.254 -1.144 . . . . 0.0 109.771 -179.6 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 62.5 t0 -54.46 -47.12 73.31 Favored 'General case' 0 C--N 1.302 -1.459 0 C-N-CA 118.563 -1.255 . . . . 0.0 108.921 -179.531 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 47.1 mtpt -69.54 -44.37 71.07 Favored 'General case' 0 N--CA 1.487 1.425 0 C-N-CA 119.309 -0.956 . . . . 0.0 109.291 178.93 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.61 -37.83 88.91 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.154 -0.966 . . . . 0.0 109.611 -179.816 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -56.28 -40.99 75.17 Favored 'General case' 0 N--CA 1.484 1.249 0 O-C-N 121.264 -0.897 . . . . 0.0 109.16 -179.581 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -61.45 -43.12 99.43 Favored 'General case' 0 C--N 1.3 -1.555 0 C-N-CA 118.592 -1.243 . . . . 0.0 108.605 178.624 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 33.4 tp10 -60.73 -41.98 96.41 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.224 -0.923 . . . . 0.0 108.917 179.288 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . 0.541 ' O ' ' N ' ' B' ' 16' ' ' HIS . 12.5 t60 -60.74 -47.27 87.04 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.332 -0.855 . . . . 0.0 110.281 179.899 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -60.48 -41.1 93.55 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.015 -1.053 . . . . 0.0 110.508 -178.988 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -62.71 -29.81 70.94 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.512 -0.742 . . . . 0.0 112.7 -178.679 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -139.81 -8.21 1.23 Allowed 'General case' 0 N--CA 1.509 2.489 0 O-C-N 120.669 -1.27 . . . . 0.0 112.143 -177.133 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.541 ' N ' ' O ' ' B' ' 12' ' ' HIS . 90.8 m-70 55.67 42.75 29.06 Favored 'General case' 0 N--CA 1.492 1.642 0 N-CA-C 107.229 -1.397 . . . . 0.0 107.229 -177.851 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 93.6 p -64.56 156.46 29.8 Favored 'General case' 0 C--N 1.304 -1.393 0 CA-C-O 121.393 0.616 . . . . 0.0 109.832 -179.101 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 69.7 m-20 -72.01 158.85 35.22 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.029 -1.044 . . . . 0.0 108.817 179.653 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 40.9 p-90 -57.58 -29.1 64.18 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.239 -0.913 . . . . 0.0 110.257 -179.62 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 82.2 mtm180 -64.05 -40.56 96.57 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 120.925 -1.109 . . . . 0.0 110.477 -179.905 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.88 -46.12 69.23 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 120.856 -1.153 . . . . 0.0 109.496 -179.538 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 77.2 mtm -63.09 -39.76 95.65 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.88 -1.137 . . . . 0.0 109.792 179.58 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . 0.479 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -58.59 -46.28 87.29 Favored 'General case' 0 N--CA 1.491 1.618 0 C-N-CA 119.432 -0.907 . . . . 0.0 108.639 -179.862 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 67.9 m -69.99 -36.87 75.49 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.232 -0.918 . . . . 0.0 109.394 179.365 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 51.1 t0 -60.03 -41.2 91.72 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.449 -0.782 . . . . 0.0 110.346 -179.438 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -107.88 -0.31 21.58 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.266 -0.896 . . . . 0.0 110.168 -179.676 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . 0.479 ' N ' ' O ' ' B' ' 23' ' ' ALA . 10.4 t-20 57.96 44.83 19.07 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.269 -0.895 . . . . 0.0 109.456 179.917 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 49.9 mt -114.95 151.45 45.54 Favored Pre-proline 0 N--CA 1.498 1.938 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 179.5 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_endo -61.55 150.45 85.3 Favored 'Trans proline' 0 N--CA 1.495 1.601 0 C-N-CA 121.936 1.757 . . . . 0.0 112.031 -179.531 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 27.2 Cg_exo -42.93 -34.61 3.87 Favored 'Trans proline' 0 C--N 1.312 -1.379 0 C-N-CA 122.023 1.815 . . . . 0.0 111.6 179.685 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 75.8 t -52.9 -49.85 46.36 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.563 0 O-C-N 121.334 -0.854 . . . . 0.0 110.335 -178.572 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 61.5 t -68.6 -49.57 63.86 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.813 0 C-N-CA 118.506 -1.278 . . . . 0.0 109.811 -179.204 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.45 -43.23 94.94 Favored 'General case' 0 C--N 1.304 -1.375 0 C-N-CA 119.593 -0.843 . . . . 0.0 110.24 -179.752 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -61.67 -36.82 81.94 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.614 -1.304 . . . . 0.0 110.258 179.836 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.4 tm-20 -61.3 -39.07 89.1 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 120.947 -1.096 . . . . 0.0 110.452 -178.61 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 22.4 mt -60.42 -40.73 85.01 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.224 -0.923 . . . . 0.0 109.072 -179.971 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 94.7 t -62.2 -39.44 83.99 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.395 0 N-CA-C 108.431 -0.951 . . . . 0.0 108.431 179.471 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . 0.428 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -60.16 -33.48 72.24 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.717 -0.614 . . . . 0.0 109.71 179.739 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 22.2 m -77.88 -24.77 48.38 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.383 -0.823 . . . . 0.0 109.505 -179.835 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 46.2 t -83.58 99.53 10.23 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.367 -0.833 . . . . 0.0 109.089 179.846 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 92.7 m-20 -60.1 -29.95 68.93 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.126 -0.984 . . . . 0.0 109.873 -179.834 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 50.6 mtpt -68.71 -38.65 80.4 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.196 -0.94 . . . . 0.0 110.578 -178.803 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 58.9 m -85.74 -21.01 28.44 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 120.672 -1.268 . . . . 0.0 109.231 179.349 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . 0.428 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 17.7 tt0 -74.37 -77.64 0.11 Allowed 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.273 -0.892 . . . . 0.0 108.897 -179.719 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 47.0 mt -80.6 89.37 5.69 Favored 'General case' 0 N--CA 1.486 1.335 0 O-C-N 121.052 -1.03 . . . . 0.0 108.371 179.092 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 20.8 pttm -92.29 -5.66 51.87 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.39 -0.819 . . . . 0.0 109.816 -179.874 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 159.51 -170.75 35.82 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.865 -1.294 . . . . 0.0 109.865 179.805 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 45.79 -130.71 1.14 Allowed 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.347 -1.09 . . . . 0.0 109.879 -179.948 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . 0.462 ' O ' ' O ' ' A' ' 49' ' ' ALA . . . 54.27 96.74 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.14 -0.975 . . . . 0.0 109.309 -179.948 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 22.4 mmt 55.58 44.0 27.37 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.539 -0.725 . . . . 0.0 110.189 179.496 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 51' ' ' HIS . . . . . 0.534 ' C ' ' H ' ' B' ' 53' ' ' GLN . 40.5 t-80 -114.25 28.29 8.86 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.395 -0.816 . . . . 0.0 109.323 179.56 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -71.68 18.37 1.06 Allowed Glycine 0 N--CA 1.49 2.257 0 N-CA-C 109.801 -1.32 . . . . 0.0 109.801 179.941 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . 0.534 ' H ' ' C ' ' B' ' 51' ' ' HIS . 93.6 mt-30 55.92 43.91 26.63 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.559 -0.965 . . . . 0.0 109.479 -179.717 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.517 ' CG1' ' N ' ' B' ' 55' ' ' ASP . 0.4 OUTLIER 67.06 -169.73 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.875 0 CA-C-O 121.545 0.688 . . . . 0.0 109.439 179.921 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . 0.517 ' N ' ' CG1' ' B' ' 54' ' ' VAL . 53.9 t0 . . . . . 0 N--CA 1.491 1.584 0 CA-C-O 117.974 -1.012 . . . . 0.0 109.042 179.672 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.505 ' CE2' ' CE2' ' B' ' 1' ' ' PHE . 34.1 m-85 . . . . . 0 N--CA 1.495 1.786 0 CA-C-O 121.676 0.75 . . . . 0.0 109.816 . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 44.3 mt -66.7 -36.55 82.76 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.354 -0.841 . . . . 0.0 111.423 -177.918 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 53.7 t0 -61.62 -48.54 80.41 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.958 -1.089 . . . . 0.0 109.861 -179.059 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.3 -43.17 80.45 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 110.046 -1.221 . . . . 0.0 110.046 -179.655 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 74.6 mt -61.48 -39.99 84.85 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.739 0 O-C-N 121.508 -0.995 . . . . 0.0 110.378 -179.546 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -57.88 -47.18 83.52 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 120.96 -1.087 . . . . 0.0 109.601 -179.132 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -69.01 -39.89 79.03 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.133 -0.979 . . . . 0.0 109.226 179.338 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.38 -39.3 85.62 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.686 -0.634 . . . . 0.0 109.953 179.954 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 10.9 tm0? -56.37 -40.85 75.22 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 119.278 -0.969 . . . . 0.0 109.248 -179.65 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -61.45 -42.29 98.53 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.953 -1.092 . . . . 0.0 109.001 179.43 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.0 tp10 -60.69 -40.3 91.69 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 179.598 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.572 ' O ' ' N ' ' A' ' 16' ' ' HIS . 14.2 t60 -60.78 -47.71 85.09 Favored 'General case' 0 N--CA 1.486 1.371 0 O-C-N 121.527 -0.733 . . . . 0.0 110.227 179.528 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -60.4 -40.79 92.24 Favored 'General case' 0 C--N 1.294 -1.815 0 O-C-N 121.047 -1.033 . . . . 0.0 110.057 -178.684 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 51.5 mtpt -62.86 -33.63 75.67 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.761 -0.587 . . . . 0.0 112.549 -177.995 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -138.94 -2.18 1.72 Allowed 'General case' 0 N--CA 1.509 2.476 0 O-C-N 120.953 -1.092 . . . . 0.0 112.241 -177.463 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.572 ' N ' ' O ' ' A' ' 12' ' ' HIS . 91.0 m-70 52.56 42.16 31.32 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 120.183 -1.573 . . . . 0.0 107.816 -177.598 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 89.8 p -62.41 159.35 15.62 Favored 'General case' 0 C--N 1.298 -1.646 0 C-N-CA 119.834 -0.746 . . . . 0.0 110.365 -178.572 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 22.9 m120 -75.02 158.21 33.59 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.61 -0.681 . . . . 0.0 109.532 179.664 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 36.1 p-90 -57.18 -30.04 64.17 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.003 -1.06 . . . . 0.0 110.098 -179.762 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -63.64 -39.85 95.37 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.512 -1.367 . . . . 0.0 109.255 179.43 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.67 -50.16 53.28 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.375 -0.828 . . . . 0.0 109.619 -179.863 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 78.0 mtm -60.38 -39.87 88.8 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.11 -0.994 . . . . 0.0 109.485 -179.843 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.5 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -60.39 -44.45 95.66 Favored 'General case' 0 N--CA 1.489 1.507 0 C-N-CA 119.293 -0.963 . . . . 0.0 109.182 -179.673 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 31.0 m -70.08 -38.45 75.72 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.506 -0.746 . . . . 0.0 110.222 -179.694 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -59.5 -40.24 86.42 Favored 'General case' 0 C--N 1.297 -1.692 0 C-N-CA 119.306 -0.958 . . . . 0.0 110.333 -177.972 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -110.87 -3.22 15.76 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.512 -0.742 . . . . 0.0 110.326 -179.132 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.5 ' N ' ' O ' ' A' ' 23' ' ' ALA . 1.6 t-20 58.87 49.13 10.21 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.557 -0.714 . . . . 0.0 110.145 179.389 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 46.8 mt -112.91 146.31 34.84 Favored Pre-proline 0 N--CA 1.505 2.286 0 O-C-N 121.101 -0.999 . . . . 0.0 109.003 179.561 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -46.04 147.14 3.75 Favored 'Trans proline' 0 N--CA 1.489 1.239 0 C-N-CA 120.951 1.101 . . . . 0.0 111.466 179.082 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -44.36 -40.2 12.95 Favored 'Trans proline' 0 C--N 1.314 -1.253 0 C-N-CA 121.954 1.77 . . . . 0.0 111.842 178.585 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 57.8 t -51.8 -46.54 39.82 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 121.4 -0.813 . . . . 0.0 110.361 -178.572 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 45.4 t -65.16 -50.29 74.77 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.885 0 C-N-CA 117.886 -1.525 . . . . 0.0 108.543 -178.737 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.49 -46.9 84.0 Favored 'General case' 0 C--N 1.3 -1.55 0 C-N-CA 120.07 -0.652 . . . . 0.0 110.307 179.545 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 41.3 mtmt -60.84 -36.62 79.58 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.007 -1.058 . . . . 0.0 110.182 179.919 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.7 tm-20 -60.48 -37.18 80.21 Favored 'General case' 0 C--N 1.305 -1.355 0 C-N-CA 119.242 -0.983 . . . . 0.0 108.89 -179.27 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 68.0 mt -59.77 -40.76 83.39 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.491 0 O-C-N 121.166 -0.959 . . . . 0.0 108.832 178.851 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 92.0 t -62.17 -39.66 84.75 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.465 0 O-C-N 121.041 -1.037 . . . . 0.0 108.517 179.317 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.18 -32.11 69.62 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.43 -0.793 . . . . 0.0 109.257 179.67 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 30.7 m -77.8 -30.1 51.08 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.99 -1.069 . . . . 0.0 110.026 -179.486 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 43.1 t -83.11 104.1 13.04 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.454 -0.778 . . . . 0.0 109.764 179.709 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 84.4 m-20 -61.61 -30.4 70.67 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.352 -0.843 . . . . 0.0 110.823 -179.699 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 64.4 mttp -68.9 -40.25 79.24 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.968 -1.083 . . . . 0.0 110.506 -178.656 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 90.7 m -88.02 -21.01 25.03 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 120.737 -1.227 . . . . 0.0 110.105 -179.918 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -73.48 -66.18 0.72 Allowed 'General case' 0 C--N 1.298 -1.668 0 C-N-CA 119.531 -0.867 . . . . 0.0 109.695 -178.285 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 35.4 mt -80.2 103.99 10.45 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.012 -1.055 . . . . 0.0 108.631 179.482 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.1 ttmp? -92.1 -17.22 25.28 Favored 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 179.381 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.411 ' C ' ' H ' ' A' ' 49' ' ' ALA . . . 168.93 -142.61 7.49 Favored Glycine 0 N--CA 1.49 2.258 0 N-CA-C 109.253 -1.539 . . . . 0.0 109.253 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 58.0 tt0 60.68 8.55 1.8 Allowed 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.046 -1.267 . . . . 0.0 108.711 -179.561 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.411 ' H ' ' C ' ' A' ' 47' ' ' GLY . . . -102.56 77.18 1.59 Allowed 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.3 -0.875 . . . . 0.0 109.302 179.17 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 43.8 ttm -159.32 114.86 2.5 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.157 -0.964 . . . . 0.0 109.638 -179.756 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 21.4 t-80 -84.17 121.03 26.9 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.915 -1.116 . . . . 0.0 108.969 179.625 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -86.97 -133.43 3.71 Favored Glycine 0 N--CA 1.493 2.449 0 O-C-N 121.028 -1.045 . . . . 0.0 110.495 -179.087 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.454 ' O ' ' O ' ' A' ' 54' ' ' VAL . 24.4 tt0 60.21 -145.21 0.5 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.544 -0.974 . . . . 0.0 109.054 -179.401 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.454 ' O ' ' O ' ' A' ' 53' ' ' GLN . 34.8 t 53.99 169.98 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.309 -0.87 . . . . 0.0 110.031 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.4 ' N ' ' CG1' ' A' ' 54' ' ' VAL . 56.6 p-10 . . . . . 0 N--CA 1.493 1.684 0 CA-C-O 117.992 -1.004 . . . . 0.0 108.953 178.407 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . 0.505 ' CE2' ' CE2' ' A' ' 1' ' ' PHE . 33.4 m-85 . . . . . 0 N--CA 1.492 1.663 0 CA-C-O 121.533 0.682 . . . . 0.0 109.664 . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 33.1 mt -66.07 -36.53 83.47 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.3 -0.875 . . . . 0.0 111.114 -178.458 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 53.5 t0 -61.5 -47.61 84.83 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 120.945 -1.097 . . . . 0.0 109.921 -178.768 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.96 -43.46 65.39 Favored Glycine 0 N--CA 1.492 2.426 0 N-CA-C 109.974 -1.251 . . . . 0.0 109.974 -179.56 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 74.0 mt -61.62 -40.14 85.6 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.407 -1.055 . . . . 0.0 110.515 -179.537 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -56.96 -48.65 77.84 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.061 -1.025 . . . . 0.0 109.303 -179.166 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -69.33 -39.7 78.03 Favored 'General case' 0 C--N 1.296 -1.721 0 C-N-CA 119.145 -1.022 . . . . 0.0 109.516 179.118 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.9 -38.49 86.36 Favored 'General case' 0 C--N 1.3 -1.571 0 C-N-CA 119.497 -0.881 . . . . 0.0 109.73 179.981 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 11.6 tm0? -56.87 -41.09 77.37 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.249 -0.907 . . . . 0.0 110.063 -179.608 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -61.16 -42.75 99.11 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.889 -1.132 . . . . 0.0 109.017 179.245 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 40.0 tp10 -59.88 -40.08 87.48 Favored 'General case' 0 C--N 1.303 -1.427 0 N-CA-C 108.307 -0.998 . . . . 0.0 108.307 179.517 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . 0.607 ' O ' ' N ' ' B' ' 16' ' ' HIS . 14.0 t60 -61.03 -47.99 83.83 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.501 -0.749 . . . . 0.0 110.105 179.192 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -60.32 -40.8 91.9 Favored 'General case' 0 C--N 1.297 -1.691 0 O-C-N 121.249 -0.907 . . . . 0.0 109.817 -178.798 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 52.9 mtpt -62.36 -32.86 73.71 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.537 -0.727 . . . . 0.0 112.84 -178.426 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -140.48 -0.13 1.61 Allowed 'General case' 0 N--CA 1.508 2.433 0 O-C-N 120.59 -1.319 . . . . 0.0 111.915 -177.865 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.607 ' N ' ' O ' ' B' ' 12' ' ' HIS . 90.8 m-70 51.78 42.57 30.03 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.431 -1.418 . . . . 0.0 107.935 -177.764 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 81.0 p -62.58 157.47 20.5 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 121.432 -0.792 . . . . 0.0 110.656 -178.655 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 20.6 m120 -73.99 156.71 37.27 Favored 'General case' 0 N--CA 1.493 1.714 0 CA-C-O 121.225 0.536 . . . . 0.0 109.915 -179.888 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 35.7 p-90 -55.51 -31.24 61.88 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.087 -1.008 . . . . 0.0 110.518 -179.511 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -63.18 -39.7 95.39 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 120.733 -1.229 . . . . 0.0 109.595 179.278 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.73 -49.47 58.51 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.44 -0.787 . . . . 0.0 109.48 -179.745 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 77.3 mtm -61.38 -40.18 93.39 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.407 -0.808 . . . . 0.0 110.167 179.689 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . 0.492 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -60.42 -43.51 96.67 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.132 -0.98 . . . . 0.0 109.286 179.952 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 25.0 m -70.25 -37.44 74.94 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.444 -0.785 . . . . 0.0 110.562 -179.497 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -61.57 -39.74 92.22 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.27 -0.894 . . . . 0.0 110.537 -178.666 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -110.61 -3.07 16.1 Favored 'General case' 0 N--CA 1.502 2.17 0 O-C-N 121.387 -0.82 . . . . 0.0 110.188 -179.391 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . 0.492 ' N ' ' O ' ' B' ' 23' ' ' ALA . 1.6 t-20 58.32 48.83 11.88 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.4 -0.812 . . . . 0.0 110.222 179.447 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 57.5 mt -112.57 144.19 30.44 Favored Pre-proline 0 N--CA 1.502 2.159 0 O-C-N 121.158 -0.964 . . . . 0.0 109.358 -179.713 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_exo -45.02 145.17 3.26 Favored 'Trans proline' 0 N--CA 1.49 1.288 0 C-N-CA 121.589 1.526 . . . . 0.0 111.546 179.184 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -42.73 -40.7 8.11 Favored 'Trans proline' 0 C--N 1.31 -1.498 0 C-N-CA 121.671 1.581 . . . . 0.0 111.588 179.433 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 60.9 t -51.25 -47.27 33.62 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.779 0 O-C-N 121.543 -0.723 . . . . 0.0 110.384 -178.268 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 48.2 t -65.11 -49.61 78.44 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.885 0 C-N-CA 118.233 -1.387 . . . . 0.0 109.143 -179.003 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.98 -46.92 82.44 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.347 -0.846 . . . . 0.0 109.683 179.794 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 39.9 mtmt -60.74 -36.78 79.73 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.286 -0.884 . . . . 0.0 109.953 -179.77 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 14.6 tm-20 -60.41 -37.51 81.07 Favored 'General case' 0 C--N 1.305 -1.334 0 O-C-N 120.953 -1.092 . . . . 0.0 109.004 -178.911 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 76.8 mt -59.6 -38.7 76.85 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.483 0 O-C-N 121.061 -1.024 . . . . 0.0 108.835 178.818 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 87.0 t -63.29 -39.36 84.99 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.455 0 O-C-N 121.129 -0.982 . . . . 0.0 108.652 179.055 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . 0.553 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -59.6 -31.81 69.82 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 -179.827 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 45.3 m -78.09 -30.58 49.66 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 119.848 -0.741 . . . . 0.0 110.179 -179.443 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 43.0 t -83.2 105.08 13.88 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.2 -0.937 . . . . 0.0 109.123 -179.978 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -62.04 -30.14 70.77 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.121 -0.987 . . . . 0.0 110.48 -179.405 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -68.28 -39.9 81.97 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.11 -0.994 . . . . 0.0 111.012 -178.773 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 96.4 m -88.63 -20.89 24.35 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.904 -1.122 . . . . 0.0 109.771 -179.82 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . 0.553 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 7.2 tt0 -72.97 -66.78 0.63 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.358 -0.839 . . . . 0.0 109.897 -178.815 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 33.8 mt -80.31 103.74 10.39 Favored 'General case' 0 C--N 1.295 -1.763 0 O-C-N 120.864 -1.147 . . . . 0.0 109.148 179.332 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 4.0 ttmp? -92.63 -14.93 27.48 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.153 -0.967 . . . . 0.0 108.586 179.316 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . 0.447 ' C ' ' H ' ' B' ' 49' ' ' ALA . . . 167.56 -143.19 8.04 Favored Glycine 0 N--CA 1.495 2.609 0 N-CA-C 109.293 -1.523 . . . . 0.0 109.293 179.856 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 59.1 tt0 61.17 5.9 1.18 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.178 -1.189 . . . . 0.0 108.398 -179.466 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . 0.447 ' H ' ' C ' ' B' ' 47' ' ' GLY . . . -99.44 79.14 2.25 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.143 -0.973 . . . . 0.0 108.817 179.326 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 44.4 ttm -161.62 114.89 1.88 Allowed 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.013 -1.054 . . . . 0.0 109.826 -179.416 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 25.9 t-80 -85.35 118.79 25.11 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.196 -0.94 . . . . 0.0 108.794 179.473 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -85.57 -130.28 2.39 Favored Glycine 0 N--CA 1.494 2.561 0 N-CA-C 110.58 -1.008 . . . . 0.0 110.58 -179.174 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . 0.433 ' O ' ' O ' ' B' ' 54' ' ' VAL . 23.6 tt0 58.39 -147.85 0.49 Allowed 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.222 -1.163 . . . . 0.0 108.491 -179.307 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.433 ' O ' ' O ' ' B' ' 53' ' ' GLN . 25.2 t 54.95 165.99 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.763 0 O-C-N 121.146 -0.971 . . . . 0.0 110.374 179.143 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 51.5 p-10 . . . . . 0 N--CA 1.498 1.974 0 CA-C-O 118.095 -0.955 . . . . 0.0 109.286 179.174 . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 . . . . . 0 N--CA 1.494 1.738 0 CA-C-O 121.508 0.671 . . . . 0.0 110.322 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 41.9 mt -71.35 -39.22 71.43 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.147 -0.971 . . . . 0.0 110.668 -178.774 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -66.04 -39.77 90.44 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.019 -1.051 . . . . 0.0 111.227 -178.869 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.11 -49.7 15.28 Favored Glycine 0 N--CA 1.495 2.595 0 N-CA-C 109.97 -1.252 . . . . 0.0 109.97 -179.454 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.526 ' O ' ' N ' ' A' ' 9' ' ' GLN . 84.7 mt -59.89 -40.08 81.81 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.653 0 O-C-N 121.151 -1.205 . . . . 0.0 109.79 -179.738 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -53.02 -47.72 68.13 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 120.781 -1.199 . . . . 0.0 109.359 -178.902 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -69.75 -43.95 71.22 Favored 'General case' 0 C--N 1.302 -1.485 0 C-N-CA 119.038 -1.065 . . . . 0.0 109.236 178.624 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.71 -32.38 73.64 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.0 -1.063 . . . . 0.0 109.985 179.973 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.526 ' N ' ' O ' ' A' ' 5' ' ' ILE . 60.5 tt0 -59.44 -41.11 88.86 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.229 -0.919 . . . . 0.0 109.797 -179.554 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -61.94 -41.72 98.29 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 179.702 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.7 tm-20 -60.94 -40.71 94.31 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 178.745 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.575 ' O ' ' N ' ' A' ' 16' ' ' HIS . 12.8 t60 -63.38 -47.3 82.62 Favored 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 119.325 -0.95 . . . . 0.0 109.856 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -59.94 -41.66 92.3 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.084 -1.01 . . . . 0.0 110.497 -178.842 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.7 mtpp -63.19 -33.63 75.89 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.539 -0.726 . . . . 0.0 112.46 -178.402 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -136.31 -7.64 2.01 Favored 'General case' 0 N--CA 1.508 2.443 0 O-C-N 120.863 -1.148 . . . . 0.0 112.482 -176.864 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.575 ' N ' ' O ' ' A' ' 12' ' ' HIS . 95.7 m-70 55.82 43.93 26.86 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 107.163 -1.421 . . . . 0.0 107.163 -177.74 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 97.8 p -64.21 159.85 19.81 Favored 'General case' 0 C--N 1.303 -1.425 0 CA-C-O 121.576 0.703 . . . . 0.0 110.043 -178.828 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -74.03 160.56 31.13 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 -179.989 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 33.2 p-90 -59.54 -30.33 68.53 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.886 -1.134 . . . . 0.0 110.19 -179.305 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -63.83 -42.15 97.7 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.001 -1.062 . . . . 0.0 110.416 -179.935 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.56 -49.02 70.39 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.204 -0.935 . . . . 0.0 109.722 -179.498 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 76.8 mtm -60.44 -39.96 89.38 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.163 -0.96 . . . . 0.0 109.437 179.863 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.469 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -57.67 -45.33 85.73 Favored 'General case' 0 C--N 1.299 -1.625 0 C-N-CA 119.633 -0.827 . . . . 0.0 109.517 -179.872 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 21.6 t -70.77 -37.85 73.41 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.399 -0.813 . . . . 0.0 109.74 179.738 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -60.65 -41.93 95.95 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.596 -0.69 . . . . 0.0 110.695 -179.45 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -108.51 -0.34 20.47 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.552 -0.717 . . . . 0.0 110.008 -179.455 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.469 ' N ' ' O ' ' A' ' 23' ' ' ALA . 11.3 t-20 56.79 51.39 10.94 Favored 'General case' 0 C--N 1.301 -1.539 0 C-N-CA 119.634 -0.826 . . . . 0.0 109.536 -179.768 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 66.1 mt -121.17 150.49 53.88 Favored Pre-proline 0 N--CA 1.509 2.495 0 O-C-N 121.085 -1.009 . . . . 0.0 108.885 -179.915 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_endo -59.33 148.86 84.51 Favored 'Trans proline' 0 C--N 1.313 -1.311 0 C-N-CA 121.465 1.443 . . . . 0.0 111.646 -179.75 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 27.2 Cg_exo -42.08 -31.71 1.66 Allowed 'Trans proline' 0 C--N 1.31 -1.466 0 C-N-CA 121.952 1.768 . . . . 0.0 110.9 178.972 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 42.8 t -52.76 -52.64 26.08 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.618 0 O-C-N 121.334 -0.854 . . . . 0.0 110.834 -178.234 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 99.3 t -68.27 -49.12 69.72 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.962 0 C-N-CA 118.435 -1.306 . . . . 0.0 109.559 -178.97 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.6 -44.34 94.29 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.243 -0.911 . . . . 0.0 110.611 -179.716 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -61.07 -36.14 78.84 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.832 -1.168 . . . . 0.0 110.457 -179.609 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.6 tm-20 -60.98 -39.47 89.76 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.712 -1.242 . . . . 0.0 110.188 -179.347 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 12.8 mt -60.21 -40.23 83.0 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.453 0 O-C-N 120.915 -1.116 . . . . 0.0 108.976 -179.922 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 74.9 t -62.64 -40.08 87.07 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.621 0 O-C-N 121.303 -0.873 . . . . 0.0 108.878 179.455 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.82 -32.46 70.67 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.394 -0.816 . . . . 0.0 111.222 -179.512 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 41.0 m -80.5 -23.43 40.12 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.967 -1.083 . . . . 0.0 110.417 -178.952 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 41.6 t -86.26 108.01 18.2 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.093 -1.004 . . . . 0.0 110.783 -179.407 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.411 ' C ' ' H ' ' A' ' 43' ' ' CYS . 85.2 m-20 -63.52 -28.23 69.81 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.456 -0.777 . . . . 0.0 109.43 179.066 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 62.1 mttp -74.88 9.92 1.67 Allowed 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.475 -0.765 . . . . 0.0 109.837 -179.443 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.411 ' H ' ' C ' ' A' ' 41' ' ' ASP . 78.3 m -147.7 -32.4 0.28 Allowed 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.35 -0.844 . . . . 0.0 109.579 -179.981 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 -69.77 -38.41 76.72 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.033 -1.042 . . . . 0.0 109.721 179.785 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 97.0 mt -83.38 46.22 1.12 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.315 -0.866 . . . . 0.0 110.051 -179.807 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 46.1 pttt -83.4 131.71 35.03 Favored 'General case' 0 C--N 1.294 -1.831 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 179.583 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 133.98 179.12 16.11 Favored Glycine 0 N--CA 1.502 3.043 0 N-CA-C 108.681 -1.768 . . . . 0.0 108.681 -178.839 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.577 ' O ' ' N ' ' A' ' 50' ' ' MET . 88.7 mt-10 -59.53 -29.52 67.95 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.227 -1.16 . . . . 0.0 108.813 179.736 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 40.82 -87.14 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.725 -0.609 . . . . 0.0 110.434 179.807 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.577 ' N ' ' O ' ' A' ' 48' ' ' GLU . 21.6 ptt? -64.88 149.82 48.86 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.308 -0.87 . . . . 0.0 110.052 -179.948 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 51.1 t-80 -142.67 148.34 37.2 Favored 'General case' 0 N--CA 1.503 2.18 0 O-C-N 121.07 -1.019 . . . . 0.0 109.391 179.806 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -161.91 -107.11 0.21 Allowed Glycine 0 N--CA 1.496 2.655 0 N-CA-C 110.069 -1.212 . . . . 0.0 110.069 -179.264 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.517 ' C ' ' H ' ' A' ' 55' ' ' ASP . 37.0 tp60 66.4 32.48 7.54 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.596 -0.944 . . . . 0.0 108.802 -179.709 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 6.0 t 55.64 8.29 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 CA-C-O 121.812 0.815 . . . . 0.0 109.009 -179.999 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.517 ' H ' ' C ' ' A' ' 53' ' ' GLN . 65.4 t0 . . . . . 0 N--CA 1.497 1.924 0 CA-C-O 118.256 -0.878 . . . . 0.0 110.376 -179.546 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 . . . . . 0 N--CA 1.492 1.668 0 CA-C-O 121.628 0.727 . . . . 0.0 110.254 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 46.4 mt -68.66 -39.59 80.59 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.209 -0.932 . . . . 0.0 110.468 -178.075 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -64.24 -40.14 95.41 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.349 -0.844 . . . . 0.0 111.144 -179.272 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.29 -50.46 12.25 Favored Glycine 0 N--CA 1.494 2.535 0 N-CA-C 109.926 -1.27 . . . . 0.0 109.926 -179.533 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . 0.519 ' O ' ' N ' ' B' ' 9' ' ' GLN . 87.9 mt -59.6 -39.65 80.04 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.605 0 O-C-N 121.529 -0.983 . . . . 0.0 110.36 -179.444 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -53.26 -49.03 67.74 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 120.876 -1.14 . . . . 0.0 109.419 -179.781 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 61.2 mttp -69.08 -44.91 71.6 Favored 'General case' 0 C--N 1.3 -1.562 0 C-N-CA 119.06 -1.056 . . . . 0.0 109.497 179.244 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.75 -32.8 74.55 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.195 -0.94 . . . . 0.0 110.096 179.99 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . 0.519 ' N ' ' O ' ' B' ' 5' ' ' ILE . 61.0 tt0 -59.28 -41.46 88.95 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 121.388 -0.82 . . . . 0.0 109.722 -179.56 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -61.17 -42.64 98.93 Favored 'General case' 0 C--N 1.302 -1.463 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 179.91 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 11.4 tm-20 -60.16 -40.83 91.26 Favored 'General case' 0 N--CA 1.487 1.414 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 178.783 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . 0.553 ' O ' ' N ' ' B' ' 16' ' ' HIS . 14.5 t60 -63.49 -47.29 82.37 Favored 'General case' 0 C--N 1.305 -1.338 0 O-C-N 121.283 -0.886 . . . . 0.0 109.976 179.762 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -59.93 -42.03 93.06 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.995 -1.066 . . . . 0.0 110.151 -178.765 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 24.2 mtpp -62.23 -34.52 76.67 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.588 -0.695 . . . . 0.0 112.604 -178.855 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -135.59 -8.88 2.17 Favored 'General case' 0 N--CA 1.514 2.733 0 O-C-N 120.776 -1.203 . . . . 0.0 112.712 -177.1 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.553 ' N ' ' O ' ' B' ' 12' ' ' HIS . 95.3 m-70 57.26 43.03 24.3 Favored 'General case' 0 N--CA 1.496 1.859 0 N-CA-C 107.356 -1.35 . . . . 0.0 107.356 -177.785 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 85.7 p -64.58 159.8 20.99 Favored 'General case' 0 C--N 1.306 -1.301 0 O-C-N 121.572 -0.705 . . . . 0.0 110.495 -178.917 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 -73.69 160.73 31.14 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 179.368 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 34.9 p-90 -59.22 -31.55 69.16 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.993 -1.067 . . . . 0.0 110.257 -179.276 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -62.61 -40.47 97.07 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.17 -0.956 . . . . 0.0 110.413 179.868 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.85 -48.8 65.11 Favored 'General case' 0 C--N 1.298 -1.672 0 O-C-N 121.219 -0.926 . . . . 0.0 110.15 -179.075 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 77.0 mtm -61.15 -39.78 91.36 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.099 -1.0 . . . . 0.0 109.12 179.402 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . 0.527 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -56.44 -46.87 80.1 Favored 'General case' 0 C--N 1.299 -1.622 0 C-N-CA 119.476 -0.89 . . . . 0.0 109.446 -179.602 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 23.3 t -69.92 -39.05 76.39 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.558 -0.714 . . . . 0.0 109.784 179.796 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -59.57 -39.2 83.3 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.547 -0.721 . . . . 0.0 110.403 -179.124 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -111.94 -0.36 15.81 Favored 'General case' 0 N--CA 1.504 2.253 0 O-C-N 121.446 -0.784 . . . . 0.0 110.038 179.796 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . 0.527 ' N ' ' O ' ' B' ' 23' ' ' ALA . 12.9 t-20 56.5 50.27 13.28 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.441 -0.787 . . . . 0.0 110.183 179.861 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 70.9 mt -118.77 150.37 48.27 Favored Pre-proline 0 N--CA 1.505 2.29 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 179.831 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_endo -59.82 148.72 87.18 Favored 'Trans proline' 0 N--CA 1.487 1.11 0 C-N-CA 121.381 1.388 . . . . 0.0 111.424 -179.918 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -43.67 -30.32 2.74 Favored 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 121.501 1.467 . . . . 0.0 111.226 179.768 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 37.3 t -52.52 -52.59 25.18 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.609 0 O-C-N 121.301 -0.875 . . . . 0.0 110.397 -178.678 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 97.6 t -67.95 -50.06 62.84 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.797 0 C-N-CA 118.857 -1.137 . . . . 0.0 109.869 -178.568 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.75 -44.92 94.95 Favored 'General case' 0 C--N 1.297 -1.698 0 O-C-N 121.264 -0.897 . . . . 0.0 110.473 -179.951 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 52.3 mtpt -60.69 -36.79 79.67 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 120.914 -1.116 . . . . 0.0 110.395 -179.826 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -61.05 -39.46 89.93 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.933 -1.104 . . . . 0.0 110.145 -179.76 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 13.5 mt -59.97 -40.66 83.65 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 120.976 -1.078 . . . . 0.0 109.003 179.783 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 78.5 t -63.38 -37.62 80.0 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 O-C-N 121.283 -0.886 . . . . 0.0 109.18 179.329 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . 0.478 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -61.62 -32.0 72.11 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.337 -0.852 . . . . 0.0 111.03 -179.541 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 50.4 m -80.72 -23.22 39.63 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.022 -1.049 . . . . 0.0 110.616 -179.093 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 43.1 t -86.15 108.4 18.3 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.145 -0.972 . . . . 0.0 110.601 -179.047 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . 0.427 ' C ' ' H ' ' B' ' 43' ' ' CYS . 89.0 m-20 -63.84 -29.15 70.37 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.527 -0.733 . . . . 0.0 109.156 178.975 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.96 9.59 1.13 Allowed 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.439 -0.788 . . . . 0.0 109.989 -179.458 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . 0.427 ' H ' ' C ' ' B' ' 41' ' ' ASP . 85.4 m -148.08 -34.15 0.23 Allowed 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.238 -0.913 . . . . 0.0 109.58 -179.713 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . 0.478 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 52.5 tt0 -67.26 -38.45 85.15 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.103 -0.998 . . . . 0.0 109.81 179.906 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 91.3 mt -83.27 45.9 1.08 Allowed 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.371 -0.831 . . . . 0.0 110.017 -179.86 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 46.5 pttt -83.14 132.28 35.09 Favored 'General case' 0 C--N 1.296 -1.747 0 O-C-N 121.631 -0.668 . . . . 0.0 109.211 179.684 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 132.59 -178.04 18.37 Favored Glycine 0 N--CA 1.501 2.987 0 N-CA-C 109.039 -1.624 . . . . 0.0 109.039 -178.722 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . 0.576 ' O ' ' N ' ' B' ' 50' ' ' MET . 88.2 mt-10 -60.66 -31.94 71.15 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.101 -1.235 . . . . 0.0 109.273 179.646 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . 43.0 -87.62 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.558 -0.714 . . . . 0.0 110.576 -179.995 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 50' ' ' MET . . . . . 0.576 ' N ' ' O ' ' B' ' 48' ' ' GLU . 22.1 ptt? -66.57 149.5 50.38 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.138 -0.976 . . . . 0.0 110.174 -179.582 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 49.5 t-80 -143.27 151.16 40.22 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.283 -0.886 . . . . 0.0 109.511 -179.981 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -164.59 -106.78 0.2 Allowed Glycine 0 N--CA 1.492 2.375 0 N-CA-C 109.58 -1.408 . . . . 0.0 109.58 -179.286 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . 0.534 ' C ' ' H ' ' B' ' 55' ' ' ASP . 39.6 tp60 67.42 32.27 5.89 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 121.736 -0.861 . . . . 0.0 109.069 -179.588 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 5.3 t 57.28 5.54 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 CA-C-O 121.988 0.899 . . . . 0.0 109.417 -178.981 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . 0.534 ' H ' ' C ' ' B' ' 53' ' ' GLN . 66.2 t0 . . . . . 0 N--CA 1.494 1.766 0 CA-C-O 117.926 -1.035 . . . . 0.0 109.443 179.577 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.513 ' CE2' ' CE2' ' B' ' 1' ' ' PHE . 77.0 m-85 . . . . . 0 N--CA 1.487 1.413 0 CA-C-O 121.508 0.67 . . . . 0.0 109.477 . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 22.9 mt -73.99 -42.72 59.99 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.424 -0.797 . . . . 0.0 110.687 -178.796 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 62.3 t0 -61.15 -49.73 76.04 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.151 -0.968 . . . . 0.0 111.239 -178.329 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.68 -44.65 89.09 Favored Glycine 0 N--CA 1.488 2.158 0 N-CA-C 109.989 -1.244 . . . . 0.0 109.989 -179.203 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.447 ' O ' ' N ' ' A' ' 9' ' ' GLN . 74.3 mt -60.17 -40.15 82.69 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.195 -1.179 . . . . 0.0 110.566 -179.606 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -56.81 -47.58 79.95 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.832 -1.168 . . . . 0.0 109.647 -179.202 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -68.79 -40.03 79.83 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.197 -0.939 . . . . 0.0 109.041 178.858 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.15 -36.77 77.76 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.274 -0.892 . . . . 0.0 109.778 179.719 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 5' ' ' ILE . 61.9 tt0 -57.07 -41.53 78.97 Favored 'General case' 0 C--N 1.302 -1.461 0 C-N-CA 119.385 -0.926 . . . . 0.0 109.404 -179.439 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 78.2 tt0 -61.53 -41.21 97.0 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 120.908 -1.12 . . . . 0.0 108.836 179.213 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 19.6 tp10 -61.52 -41.13 96.85 Favored 'General case' 0 N--CA 1.493 1.704 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 178.893 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.556 ' O ' ' N ' ' A' ' 16' ' ' HIS . 15.6 t60 -61.35 -49.81 75.45 Favored 'General case' 0 C--N 1.305 -1.362 0 CA-C-O 121.514 0.673 . . . . 0.0 109.846 179.38 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 31.6 tp10 -59.76 -40.57 88.61 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 121.176 -0.953 . . . . 0.0 110.112 -178.768 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.1 mtpp -60.56 -39.3 87.49 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.172 -0.955 . . . . 0.0 112.254 -178.663 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -133.68 -3.0 2.96 Favored 'General case' 0 N--CA 1.51 2.551 0 O-C-N 120.961 -1.087 . . . . 0.0 112.701 -176.967 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.556 ' N ' ' O ' ' A' ' 12' ' ' HIS . 93.6 m-70 54.45 46.85 24.12 Favored 'General case' 0 N--CA 1.498 1.966 0 N-CA-C 107.335 -1.357 . . . . 0.0 107.335 -177.613 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 96.7 p -66.26 154.64 39.34 Favored 'General case' 0 C--N 1.302 -1.473 0 CA-C-O 121.459 0.647 . . . . 0.0 110.121 -178.489 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -70.9 159.16 35.17 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.184 -0.948 . . . . 0.0 108.84 179.96 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 27.6 p-90 -58.21 -27.98 64.41 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.363 -0.835 . . . . 0.0 110.076 -179.187 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -64.48 -39.84 94.56 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.029 -1.045 . . . . 0.0 110.213 179.648 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.42 -45.17 69.81 Favored 'General case' 0 C--N 1.298 -1.644 0 O-C-N 121.26 -0.9 . . . . 0.0 109.835 -179.093 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 79.8 mtm -63.44 -39.98 95.93 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.137 -0.977 . . . . 0.0 109.628 -179.958 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.487 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -56.56 -46.6 80.63 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.317 -0.864 . . . . 0.0 109.601 -179.966 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 27.8 t -70.84 -38.21 73.2 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.375 -0.828 . . . . 0.0 110.161 179.931 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -60.08 -39.46 86.19 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.191 -0.943 . . . . 0.0 110.41 -179.343 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -112.6 2.66 16.29 Favored 'General case' 0 N--CA 1.502 2.165 0 O-C-N 121.305 -0.872 . . . . 0.0 109.761 -179.746 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.487 ' N ' ' O ' ' A' ' 23' ' ' ALA . 83.2 m-20 54.41 49.06 19.22 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.499 -0.751 . . . . 0.0 109.968 179.949 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 73.8 mt -117.78 151.62 48.86 Favored Pre-proline 0 N--CA 1.505 2.318 0 O-C-N 121.317 -0.864 . . . . 0.0 108.838 179.786 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_endo -60.32 161.33 20.35 Favored 'Trans proline' 0 N--CA 1.49 1.282 0 C-N-CA 121.702 1.601 . . . . 0.0 111.067 179.912 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_endo -54.77 -34.14 83.45 Favored 'Trans proline' 0 C--N 1.302 -1.886 0 C-N-CA 122.361 2.041 . . . . 0.0 111.613 179.846 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 95.4 t -54.27 -48.97 66.49 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.577 0 O-C-N 121.339 -0.85 . . . . 0.0 110.131 -178.79 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 68.6 t -68.05 -46.37 81.74 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.923 0 C-N-CA 118.239 -1.384 . . . . 0.0 109.48 -179.689 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.95 -45.14 86.97 Favored 'General case' 0 C--N 1.294 -1.812 0 C-N-CA 119.705 -0.798 . . . . 0.0 110.365 179.924 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.9 mtmm -62.7 -35.69 80.52 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 120.555 -1.341 . . . . 0.0 110.408 -179.505 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.8 tm-20 -59.9 -38.77 83.23 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.764 -1.21 . . . . 0.0 109.149 -179.359 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 21.4 mt -60.03 -40.24 82.62 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 120.834 -1.166 . . . . 0.0 108.396 179.49 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 97.0 t -62.86 -39.72 86.06 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.441 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 179.086 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.87 -30.52 71.58 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 179.508 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.3 m -79.46 -27.31 41.6 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.235 -0.916 . . . . 0.0 109.188 179.793 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 35.8 t -82.59 103.34 12.05 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.195 -0.941 . . . . 0.0 109.107 179.669 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -60.65 -29.52 69.32 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.275 -0.891 . . . . 0.0 110.699 -179.688 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 48.5 mtpt -70.41 -40.84 73.63 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.076 -1.015 . . . . 0.0 110.887 -178.768 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 81.4 m -85.99 -23.52 26.82 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.058 -1.026 . . . . 0.0 109.808 -179.911 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -75.51 -66.04 0.82 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.222 -0.924 . . . . 0.0 110.532 -178.588 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 84.3 mt -80.47 61.72 4.31 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.214 -0.929 . . . . 0.0 109.713 -179.268 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 17.8 pttp -88.27 -0.56 57.26 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.508 -0.745 . . . . 0.0 109.068 179.451 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -80.01 169.43 53.01 Favored Glycine 0 N--CA 1.489 2.221 0 N-CA-C 109.62 -1.392 . . . . 0.0 109.62 -179.783 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -88.98 143.65 26.71 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.325 -1.103 . . . . 0.0 109.647 179.846 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -79.22 159.51 27.3 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.468 -0.77 . . . . 0.0 109.406 -179.836 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.423 ' O ' ' O ' ' B' ' 50' ' ' MET . 1.1 tmt? -72.54 133.05 44.58 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.025 -1.047 . . . . 0.0 109.893 -179.296 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 5.3 p80 -150.35 179.34 8.21 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.379 -0.825 . . . . 0.0 109.122 -179.983 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -153.74 10.83 0.51 Allowed Glycine 0 N--CA 1.494 2.544 0 N-CA-C 109.42 -1.472 . . . . 0.0 109.42 179.798 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.495 ' C ' ' H ' ' A' ' 55' ' ' ASP . 24.1 mm100 53.53 23.09 3.28 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.311 -1.111 . . . . 0.0 108.783 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.0 t 57.48 7.79 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.299 -1.593 0 CA-C-O 121.94 0.876 . . . . 0.0 108.928 -179.436 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.495 ' H ' ' C ' ' A' ' 53' ' ' GLN . 89.5 m-20 . . . . . 0 C--N 1.298 -1.658 0 CA-C-O 117.962 -1.018 . . . . 0.0 109.727 -179.922 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . 0.513 ' CE2' ' CE2' ' A' ' 1' ' ' PHE . 74.1 m-85 . . . . . 0 N--CA 1.488 1.453 0 CA-C-O 121.484 0.659 . . . . 0.0 109.729 . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 17.0 mt -74.53 -41.7 60.15 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.153 -0.967 . . . . 0.0 110.859 -178.948 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -62.27 -49.81 74.2 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.319 -0.863 . . . . 0.0 111.308 -178.251 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.67 -45.66 82.6 Favored Glycine 0 N--CA 1.484 1.887 0 N-CA-C 109.759 -1.336 . . . . 0.0 109.759 -178.927 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 72.7 mt -59.3 -40.25 80.91 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.47 0 O-C-N 121.401 -1.058 . . . . 0.0 110.607 -179.572 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -57.0 -45.88 82.68 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.761 -1.212 . . . . 0.0 109.542 -178.99 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -70.41 -40.07 74.09 Favored 'General case' 0 C--N 1.303 -1.451 0 C-N-CA 119.189 -1.004 . . . . 0.0 108.814 179.032 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.16 -37.61 81.19 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.341 -0.849 . . . . 0.0 109.531 179.747 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -56.19 -42.45 77.16 Favored 'General case' 0 C--N 1.302 -1.469 0 C-N-CA 119.306 -0.958 . . . . 0.0 109.556 -179.802 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 79.4 tt0 -60.7 -41.48 95.26 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.985 -1.072 . . . . 0.0 108.734 179.304 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 19.1 tp10 -61.51 -41.0 96.65 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.035 -1.041 . . . . 0.0 108.385 178.92 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . 0.573 ' O ' ' N ' ' B' ' 16' ' ' HIS . 14.6 t60 -61.72 -48.81 79.05 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 119.807 -0.757 . . . . 0.0 109.869 179.229 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 31.0 tp10 -59.96 -40.67 89.81 Favored 'General case' 0 C--N 1.297 -1.702 0 O-C-N 121.029 -1.044 . . . . 0.0 109.931 -178.448 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 25.5 mtpp -60.76 -38.14 84.22 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.295 -0.878 . . . . 0.0 112.507 -178.701 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -135.19 -1.89 2.58 Favored 'General case' 0 N--CA 1.507 2.403 0 O-C-N 120.868 -1.145 . . . . 0.0 112.67 -176.641 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.573 ' N ' ' O ' ' B' ' 12' ' ' HIS . 92.8 m-70 54.19 42.83 31.34 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.557 -1.34 . . . . 0.0 107.605 -178.047 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 85.5 p -61.54 155.58 21.74 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.698 -0.626 . . . . 0.0 110.437 -178.781 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 68.8 m-20 -72.45 158.84 34.99 Favored 'General case' 0 N--CA 1.486 1.367 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 179.713 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 27.4 p-90 -57.88 -29.08 64.75 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.195 -0.941 . . . . 0.0 110.056 -179.231 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -62.74 -40.35 96.95 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.104 -0.998 . . . . 0.0 109.994 179.634 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.78 -47.06 64.29 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.29 -0.881 . . . . 0.0 109.773 -179.086 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 79.1 mtm -61.01 -39.71 90.8 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.94 -1.1 . . . . 0.0 109.804 179.793 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . 0.504 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -57.12 -47.34 81.35 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.179 -0.951 . . . . 0.0 109.54 -179.814 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 22.8 t -70.31 -36.99 74.67 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.328 -0.857 . . . . 0.0 110.137 179.75 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 60.0 t0 -60.83 -40.37 92.55 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.338 -0.851 . . . . 0.0 110.453 -179.304 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -111.66 2.68 17.39 Favored 'General case' 0 N--CA 1.504 2.253 0 O-C-N 121.326 -0.859 . . . . 0.0 109.957 179.899 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . 0.504 ' N ' ' O ' ' B' ' 23' ' ' ALA . 84.5 m-20 54.85 49.08 18.61 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.408 -0.807 . . . . 0.0 109.847 179.885 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 74.9 mt -117.67 150.83 47.58 Favored Pre-proline 0 N--CA 1.502 2.156 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 179.805 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -60.07 161.46 19.18 Favored 'Trans proline' 0 N--CA 1.491 1.35 0 C-N-CA 121.65 1.567 . . . . 0.0 110.999 179.69 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_endo -54.77 -34.26 83.96 Favored 'Trans proline' 0 C--N 1.303 -1.824 0 C-N-CA 122.412 2.075 . . . . 0.0 111.535 179.954 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 89.9 t -53.73 -49.92 54.48 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.741 0 O-C-N 121.289 -0.882 . . . . 0.0 109.789 -178.607 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 87.0 t -67.38 -47.39 81.13 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.986 0 C-N-CA 118.402 -1.319 . . . . 0.0 109.422 -179.188 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.19 -45.55 87.83 Favored 'General case' 0 C--N 1.298 -1.663 0 O-C-N 121.354 -0.841 . . . . 0.0 110.243 179.909 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 17.5 mtmm -61.89 -36.17 80.51 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 120.615 -1.303 . . . . 0.0 110.497 -179.458 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -59.63 -39.2 83.54 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.566 -1.334 . . . . 0.0 109.595 -179.517 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 21.6 mt -59.54 -39.76 80.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 120.807 -1.183 . . . . 0.0 107.855 179.674 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 87.9 t -63.79 -39.99 87.4 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.503 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 179.272 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . 0.525 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -61.96 -31.13 71.44 Favored 'General case' 0 C--N 1.299 -1.609 0 N-CA-C 108.62 -0.882 . . . . 0.0 108.62 179.177 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 7.4 m -78.44 -27.21 46.44 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.234 -0.916 . . . . 0.0 109.272 179.959 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 38.2 t -83.0 102.96 12.09 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.044 -1.035 . . . . 0.0 109.425 -179.937 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -60.55 -28.51 68.49 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.26 -0.9 . . . . 0.0 110.619 -179.787 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 48.3 mtpt -71.49 -41.58 69.13 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.114 -0.992 . . . . 0.0 110.802 -178.86 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 83.7 m -85.75 -23.72 27.18 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.912 -1.118 . . . . 0.0 109.867 -179.955 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . 0.525 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 6.8 tt0 -75.1 -65.82 0.83 Allowed 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.281 -0.887 . . . . 0.0 110.556 -178.703 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 85.3 mt -81.17 61.38 4.68 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.213 -0.93 . . . . 0.0 110.186 -179.284 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 17.2 pttp -87.34 0.56 55.26 Favored 'General case' 0 C--N 1.295 -1.778 0 N-CA-C 108.971 -0.752 . . . . 0.0 108.971 179.152 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -80.2 169.29 52.68 Favored Glycine 0 N--CA 1.491 2.356 0 N-CA-C 109.722 -1.351 . . . . 0.0 109.722 -179.592 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 -90.28 139.88 30.23 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.281 -1.129 . . . . 0.0 109.642 -179.696 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.29 158.82 33.36 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.405 -0.809 . . . . 0.0 109.24 179.579 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 50' ' ' MET . . . . . 0.423 ' O ' ' O ' ' A' ' 50' ' ' MET . 1.2 tmt? -72.7 134.55 45.09 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.136 -0.978 . . . . 0.0 109.667 -179.52 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 6.3 p80 -151.45 178.59 9.14 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.262 -0.899 . . . . 0.0 109.227 -179.977 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -153.19 11.4 0.57 Allowed Glycine 0 N--CA 1.497 2.731 0 N-CA-C 109.188 -1.565 . . . . 0.0 109.188 179.909 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . 0.512 ' C ' ' H ' ' B' ' 55' ' ' ASP . 24.1 mm100 53.15 25.49 4.29 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.472 -1.017 . . . . 0.0 108.793 -179.948 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 3.2 t 56.03 7.51 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.764 0 CA-C-O 122.022 0.915 . . . . 0.0 109.308 -179.436 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . 0.512 ' H ' ' C ' ' B' ' 53' ' ' GLN . 93.8 m-20 . . . . . 0 C--N 1.293 -1.849 0 CA-C-O 118.083 -0.961 . . . . 0.0 109.457 -179.614 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 . . . . . 0 N--CA 1.492 1.636 0 CA-C-O 121.287 0.565 . . . . 0.0 110.437 . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 45.6 mt -70.61 -32.63 70.05 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.295 -0.878 . . . . 0.0 111.21 -177.763 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -63.75 -51.59 64.19 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.042 -1.036 . . . . 0.0 110.578 -178.196 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.44 -43.02 93.42 Favored Glycine 0 N--CA 1.488 2.118 0 N-CA-C 109.553 -1.419 . . . . 0.0 109.553 -179.897 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 80.3 mt -59.66 -39.98 81.02 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 O-C-N 121.413 -1.051 . . . . 0.0 110.306 -179.039 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -56.24 -46.0 79.78 Favored 'General case' 0 N--CA 1.49 1.568 0 C-N-CA 119.129 -1.028 . . . . 0.0 108.917 -179.318 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 60.0 mttp -70.0 -39.79 75.68 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 120.848 -1.158 . . . . 0.0 109.28 179.158 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.28 -38.41 81.67 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.588 -0.695 . . . . 0.0 109.489 -179.808 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -58.29 -39.97 80.71 Favored 'General case' 0 N--CA 1.485 1.285 0 O-C-N 121.237 -0.914 . . . . 0.0 109.835 -178.991 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 77.8 tt0 -63.13 -41.08 99.24 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.092 -1.005 . . . . 0.0 109.907 179.772 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.409 ' OE1' ' OG ' ' A' ' 17' ' ' SER . 14.3 tm-20 -60.9 -43.93 97.84 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.236 -0.915 . . . . 0.0 109.259 179.48 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.509 ' O ' ' N ' ' A' ' 16' ' ' HIS . 14.7 t60 -61.03 -42.63 98.83 Favored 'General case' 0 C--N 1.301 -1.508 0 C-N-CA 119.493 -0.883 . . . . 0.0 110.222 -179.729 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.4 tp10 -61.08 -42.77 99.13 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 120.574 -1.329 . . . . 0.0 110.574 -179.385 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -63.54 -38.94 93.04 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.816 -0.553 . . . . 0.0 112.356 -178.7 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 33.2 m-85 -131.63 -0.92 3.89 Favored 'General case' 0 N--CA 1.508 2.436 0 O-C-N 120.897 -1.127 . . . . 0.0 113.269 -176.629 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.509 ' N ' ' O ' ' A' ' 12' ' ' HIS . 92.7 m-70 52.09 41.78 30.15 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 120.177 -1.577 . . . . 0.0 107.219 -178.659 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.409 ' OG ' ' OE1' ' A' ' 11' ' ' GLU . 6.7 p -62.52 150.32 40.59 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.465 -0.772 . . . . 0.0 109.819 -178.449 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 28.1 m120 -68.81 152.96 44.63 Favored 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 108.164 -1.051 . . . . 0.0 108.164 179.746 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 46.4 p-90 -55.01 -30.14 58.85 Favored 'General case' 0 C--N 1.299 -1.616 0 C-N-CA 119.633 -0.827 . . . . 0.0 109.268 -178.591 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -62.77 -43.76 97.95 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 120.777 -1.202 . . . . 0.0 110.249 179.81 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.33 -44.92 70.67 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.623 -1.298 . . . . 0.0 108.94 179.734 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 21.8 mtp -61.71 -44.36 97.08 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.527 -0.733 . . . . 0.0 110.19 -179.879 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.51 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -58.26 -44.61 88.43 Favored 'General case' 0 C--N 1.296 -1.731 0 C-N-CA 118.996 -1.081 . . . . 0.0 109.04 179.457 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 51.0 m -68.97 -34.9 76.07 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.22 -0.925 . . . . 0.0 109.563 179.913 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -61.44 -41.35 97.05 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.33 -0.856 . . . . 0.0 110.092 -179.834 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -110.03 4.08 20.98 Favored 'General case' 0 N--CA 1.505 2.304 0 O-C-N 121.614 -0.679 . . . . 0.0 110.835 -179.689 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.51 ' N ' ' O ' ' A' ' 23' ' ' ALA . 70.0 m-20 53.82 46.81 24.99 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.372 -0.83 . . . . 0.0 110.779 179.312 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 79.1 mt -113.29 152.7 45.39 Favored Pre-proline 0 N--CA 1.512 2.66 0 O-C-N 121.352 -0.842 . . . . 0.0 108.841 -179.82 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_endo -62.01 161.3 26.51 Favored 'Trans proline' 0 N--CA 1.493 1.448 0 C-N-CA 121.622 1.548 . . . . 0.0 110.713 179.897 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo -55.84 -35.54 93.96 Favored 'Trans proline' 0 C--N 1.301 -1.959 0 C-N-CA 122.413 2.075 . . . . 0.0 111.742 -178.937 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 73.7 t -57.28 -49.57 79.52 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.717 0 O-C-N 120.782 -1.199 . . . . 0.0 110.571 -178.666 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 61.9 t -65.61 -48.27 83.24 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.736 0 O-C-N 120.394 -1.441 . . . . 0.0 109.083 -178.889 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.43 -44.27 83.38 Favored 'General case' 0 N--CA 1.494 1.733 0 C-N-CA 119.515 -0.874 . . . . 0.0 110.868 179.891 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 50.8 mtpt -63.12 -35.31 79.85 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.99 -1.069 . . . . 0.0 110.24 -179.598 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.3 tm-20 -61.54 -39.71 92.05 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 120.902 -1.124 . . . . 0.0 109.733 -178.857 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 92.8 mt -60.13 -38.91 78.88 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.43 0 O-C-N 120.921 -1.112 . . . . 0.0 108.323 179.77 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 64.2 t -63.58 -40.64 89.79 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 179.287 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.01 -30.22 69.01 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.406 -0.809 . . . . 0.0 108.964 179.64 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.6 m -78.34 -25.82 46.56 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.912 -1.118 . . . . 0.0 109.031 -179.968 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 41.9 t -81.06 101.36 9.54 Favored 'General case' 0 N--CA 1.491 1.582 0 N-CA-C 108.404 -0.962 . . . . 0.0 108.404 178.794 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -59.54 -31.12 69.12 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.337 -0.852 . . . . 0.0 111.222 -179.416 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -69.4 -40.32 77.41 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.127 -0.983 . . . . 0.0 111.133 -178.007 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 56.9 m -81.17 -24.88 37.24 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.974 -1.079 . . . . 0.0 109.726 179.904 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 54.6 tt0 -75.36 -72.84 0.28 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.922 -1.111 . . . . 0.0 109.299 -179.269 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 50.4 mt -84.37 99.17 10.46 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.332 -0.855 . . . . 0.0 108.907 178.867 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 48.5 mtmt -96.14 10.77 36.61 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.545 -0.722 . . . . 0.0 109.772 179.98 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 101.62 -175.98 25.95 Favored Glycine 0 N--CA 1.503 3.147 0 N-CA-C 110.111 -1.196 . . . . 0.0 110.111 -179.707 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 73.2 tt0 54.08 42.16 31.71 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.2 -1.177 . . . . 0.0 108.242 179.598 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -97.45 -111.76 0.15 Allowed 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.347 -0.846 . . . . 0.0 109.886 -179.089 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.54 ' O ' ' O ' ' B' ' 50' ' ' MET . 17.8 tpt -86.28 130.35 34.54 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.128 -0.983 . . . . 0.0 109.494 -179.869 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -88.18 140.27 29.65 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.445 -1.409 . . . . 0.0 110.176 -179.771 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -85.31 -140.68 5.35 Favored Glycine 0 N--CA 1.484 1.838 0 N-CA-C 109.201 -1.56 . . . . 0.0 109.201 179.632 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.436 ' O ' ' O ' ' A' ' 54' ' ' VAL . 36.7 mt-30 -61.97 148.34 44.08 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.667 -0.902 . . . . 0.0 109.703 179.844 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.436 ' O ' ' O ' ' A' ' 53' ' ' GLN . 5.9 t 57.95 158.84 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.302 -1.49 0 O-C-N 121.579 -0.7 . . . . 0.0 109.383 179.158 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 . . . . . 0 C--N 1.298 -1.65 0 O-C-N 120.907 -1.121 . . . . 0.0 108.745 179.719 . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 81.2 m-85 . . . . . 0 N--CA 1.488 1.429 0 CA-C-O 121.185 0.517 . . . . 0.0 110.325 . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 40.7 mt -69.01 -35.39 76.61 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.057 -1.027 . . . . 0.0 111.176 -177.685 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 54.9 t0 -60.38 -52.47 65.12 Favored 'General case' 0 N--CA 1.502 2.143 0 O-C-N 120.581 -1.324 . . . . 0.0 110.658 -178.882 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.28 -43.45 95.21 Favored Glycine 0 N--CA 1.493 2.471 0 N-CA-C 109.431 -1.468 . . . . 0.0 109.431 -179.814 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 76.3 mt -59.69 -38.96 78.29 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.427 0 O-C-N 121.562 -0.963 . . . . 0.0 111.003 -179.45 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -58.06 -45.27 87.37 Favored 'General case' 0 C--N 1.299 -1.603 0 C-N-CA 118.475 -1.29 . . . . 0.0 108.829 -178.399 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 58.3 mttp -70.17 -39.67 75.16 Favored 'General case' 0 N--CA 1.487 1.406 0 C-N-CA 118.977 -1.089 . . . . 0.0 109.214 179.617 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.53 -40.55 85.08 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.356 -0.84 . . . . 0.0 109.402 179.904 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 57.9 tt0 -55.87 -40.83 73.49 Favored 'General case' 0 C--N 1.303 -1.423 0 C-N-CA 119.326 -0.949 . . . . 0.0 110.011 -178.513 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -62.4 -41.13 98.42 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.084 -1.01 . . . . 0.0 109.448 -179.91 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . 0.401 ' OE1' ' OG ' ' B' ' 17' ' ' SER . 13.7 tm-20 -61.17 -42.96 99.49 Favored 'General case' 0 C--N 1.305 -1.353 0 C-N-CA 119.59 -0.844 . . . . 0.0 109.127 179.155 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . 0.563 ' O ' ' N ' ' B' ' 16' ' ' HIS . 15.0 t60 -61.85 -44.7 96.3 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.137 -0.977 . . . . 0.0 110.134 -179.404 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 40.7 tp10 -60.31 -43.1 96.63 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.861 -1.15 . . . . 0.0 110.672 -179.503 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 49.4 mtmt -63.09 -36.3 83.13 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.16 -0.963 . . . . 0.0 112.458 -178.885 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 44.9 m-85 -133.96 -1.05 3.03 Favored 'General case' 0 N--CA 1.508 2.457 0 O-C-N 120.887 -1.133 . . . . 0.0 112.687 -176.618 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.563 ' N ' ' O ' ' B' ' 12' ' ' HIS . 92.4 m-70 52.03 42.01 30.15 Favored 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 107.351 -1.352 . . . . 0.0 107.351 -178.358 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 17' ' ' SER . . . . . 0.401 ' OG ' ' OE1' ' B' ' 11' ' ' GLU . 11.8 p -61.87 151.94 33.16 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.873 -0.517 . . . . 0.0 110.215 -178.405 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 28.3 m120 -70.71 150.7 45.67 Favored 'General case' 0 C--N 1.306 -1.29 0 C-N-CA 119.408 -0.917 . . . . 0.0 108.698 179.406 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 43.7 p-90 -52.23 -30.03 25.56 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.545 -0.722 . . . . 0.0 109.616 -179.504 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -62.99 -43.94 97.41 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 120.776 -1.202 . . . . 0.0 110.198 179.848 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.51 -44.64 70.63 Favored 'General case' 0 C--N 1.298 -1.663 0 O-C-N 120.917 -1.114 . . . . 0.0 108.878 -179.835 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 26.7 mtp -61.15 -43.56 98.68 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.671 -0.643 . . . . 0.0 109.937 179.985 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . 0.508 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -59.47 -43.46 93.24 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.003 -1.061 . . . . 0.0 109.269 179.603 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 45.6 m -70.16 -36.54 74.79 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.257 -0.902 . . . . 0.0 109.793 179.441 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 67.9 t0 -60.35 -41.64 94.07 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.482 -0.761 . . . . 0.0 110.0 -179.866 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -109.97 4.42 21.4 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.613 -0.679 . . . . 0.0 110.72 -179.773 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . 0.508 ' N ' ' O ' ' B' ' 23' ' ' ALA . 75.6 m-20 52.89 47.0 25.63 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.109 -0.995 . . . . 0.0 110.263 179.307 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 82.2 mt -113.21 151.88 44.64 Favored Pre-proline 0 N--CA 1.506 2.33 0 O-C-N 121.166 -0.959 . . . . 0.0 108.93 179.806 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_endo -59.88 161.7 17.97 Favored 'Trans proline' 0 N--CA 1.495 1.593 0 C-N-CA 121.766 1.644 . . . . 0.0 110.633 179.799 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . 0.473 ' O ' ' N ' ' B' ' 34' ' ' LYS . 14.9 Cg_endo -56.41 -37.95 96.16 Favored 'Trans proline' 0 C--N 1.301 -1.95 0 C-N-CA 122.413 2.076 . . . . 0.0 111.586 -179.338 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 96.8 t -55.53 -48.9 76.78 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.102 -0.999 . . . . 0.0 110.765 -178.565 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 78.4 t -66.84 -45.8 86.8 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.67 0 C-N-CA 117.804 -1.558 . . . . 0.0 108.933 -178.743 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.73 -45.75 70.71 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.075 -1.015 . . . . 0.0 110.451 179.709 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' B' ' 30' ' ' PRO . 52.1 mtpt -61.36 -33.95 74.49 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.149 -0.97 . . . . 0.0 110.641 -179.957 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . 0.417 ' OE1' ' C ' ' B' ' 35' ' ' GLU . 12.8 tm-20 -62.64 -39.73 94.78 Favored 'General case' 0 C--N 1.3 -1.558 0 C-N-CA 118.834 -1.146 . . . . 0.0 109.446 -179.149 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 86.3 mt -59.64 -38.58 76.34 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.539 0 O-C-N 121.055 -1.028 . . . . 0.0 108.433 179.554 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 58.2 t -63.89 -39.91 87.16 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 121.308 -0.87 . . . . 0.0 108.719 179.301 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . 0.504 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -61.18 -30.28 70.32 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.389 -0.819 . . . . 0.0 109.125 179.157 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 48.9 m -77.75 -24.82 48.93 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.314 -0.866 . . . . 0.0 108.955 179.933 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 41.7 t -82.15 100.98 10.14 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.103 -0.998 . . . . 0.0 108.527 178.965 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -60.39 -30.25 69.47 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.789 -1.194 . . . . 0.0 110.737 -179.311 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -69.95 -39.89 75.76 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 120.859 -1.151 . . . . 0.0 111.058 -178.839 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 58.2 m -82.74 -23.84 33.81 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.783 -1.198 . . . . 0.0 109.907 -179.898 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . 0.504 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 8.5 tt0 -75.94 -72.67 0.31 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.16 -0.963 . . . . 0.0 109.51 -179.898 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 50.9 mt -84.66 96.01 9.08 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.346 -0.846 . . . . 0.0 108.889 179.426 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 48.3 mtmt -92.74 10.17 31.92 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 122.077 -0.39 . . . . 0.0 109.971 179.993 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 102.5 -175.32 24.49 Favored Glycine 0 N--CA 1.501 2.998 0 N-CA-C 109.992 -1.243 . . . . 0.0 109.992 -179.795 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 73.2 tt0 53.16 43.36 31.68 Favored 'General case' 0 C--N 1.305 -1.328 0 O-C-N 121.139 -1.212 . . . . 0.0 108.814 178.974 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -98.46 -107.15 0.19 Allowed 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.386 -0.821 . . . . 0.0 110.082 -179.146 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 50' ' ' MET . . . . . 0.54 ' O ' ' O ' ' A' ' 50' ' ' MET . 17.8 tpt -90.14 128.75 36.42 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.239 -0.913 . . . . 0.0 108.906 -179.619 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -86.76 141.97 28.48 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 120.879 -1.138 . . . . 0.0 109.43 179.684 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -85.7 -136.03 3.88 Favored Glycine 0 N--CA 1.488 2.122 0 N-CA-C 109.092 -1.603 . . . . 0.0 109.092 179.577 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . 0.409 ' O ' ' O ' ' B' ' 54' ' ' VAL . 37.1 mt-30 -66.24 147.81 52.77 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.123 -1.222 . . . . 0.0 109.944 -179.659 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.409 ' O ' ' O ' ' B' ' 53' ' ' GLN . 4.7 t 58.85 159.29 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 O-C-N 121.192 -0.942 . . . . 0.0 109.682 179.064 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 . . . . . 0 C--N 1.303 -1.424 0 CA-C-O 118.044 -0.979 . . . . 0.0 109.137 -179.926 . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 . . . . . 0 N--CA 1.489 1.489 0 CA-C-O 121.151 0.5 . . . . 0.0 109.796 . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 20.3 mt -75.39 -42.08 54.72 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.431 -0.793 . . . . 0.0 111.06 -178.756 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -65.1 -49.42 70.06 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.287 -0.883 . . . . 0.0 111.097 -178.175 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.59 -47.48 86.57 Favored Glycine 0 N--CA 1.494 2.528 0 N-CA-C 110.18 -1.168 . . . . 0.0 110.18 -179.085 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 96.5 mt -59.79 -40.38 82.42 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.504 0 O-C-N 121.309 -1.113 . . . . 0.0 110.584 -179.878 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -51.95 -42.1 62.59 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 120.841 -1.162 . . . . 0.0 109.04 -179.377 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 48.0 mttm -70.65 -46.6 62.95 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.199 -0.938 . . . . 0.0 109.831 178.349 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.42 -34.31 77.99 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.683 -0.635 . . . . 0.0 109.673 179.921 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -59.06 -39.85 83.36 Favored 'General case' 0 C--N 1.306 -1.285 0 C-N-CA 119.445 -0.902 . . . . 0.0 108.807 -179.351 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 37.0 tp10 -62.34 -40.65 97.06 Favored 'General case' 0 N--CA 1.486 1.355 0 O-C-N 120.921 -1.112 . . . . 0.0 108.752 179.248 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -60.82 -39.9 90.71 Favored 'General case' 0 N--CA 1.486 1.328 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 179.705 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.562 ' O ' ' N ' ' A' ' 16' ' ' HIS . 17.3 t60 -61.55 -45.44 94.15 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 119.458 -0.897 . . . . 0.0 109.898 179.705 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -60.66 -43.51 97.57 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.127 -0.983 . . . . 0.0 110.239 -179.178 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 46.4 mtmt -60.73 -33.82 73.48 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 112.955 0.724 . . . . 0.0 112.955 -178.52 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -136.78 -5.68 1.94 Allowed 'General case' 0 N--CA 1.506 2.375 0 O-C-N 121.018 -1.051 . . . . 0.0 112.463 -177.096 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.562 ' N ' ' O ' ' A' ' 12' ' ' HIS . 89.9 m-70 54.73 42.43 31.21 Favored 'General case' 0 N--CA 1.496 1.869 0 N-CA-C 107.558 -1.275 . . . . 0.0 107.558 -177.621 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 91.3 p -65.87 154.8 38.23 Favored 'General case' 0 C--N 1.303 -1.44 0 CA-C-O 121.567 0.699 . . . . 0.0 110.697 -178.518 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -70.91 159.98 33.68 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.493 -0.755 . . . . 0.0 109.337 179.413 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 51.0 p-90 -57.29 -30.32 64.62 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.054 -1.029 . . . . 0.0 110.332 -179.779 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 83.4 mtm180 -62.69 -41.72 99.25 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.108 -0.995 . . . . 0.0 110.51 -179.818 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.13 -47.87 66.95 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.988 -1.07 . . . . 0.0 109.513 -179.371 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 78.1 mtm -60.83 -40.34 92.42 Favored 'General case' 0 C--N 1.301 -1.505 0 C-N-CA 119.546 -0.861 . . . . 0.0 109.662 179.548 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.49 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -57.81 -46.01 85.3 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.224 -0.923 . . . . 0.0 109.328 -179.672 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 28.9 t -69.99 -38.76 76.11 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.066 -1.021 . . . . 0.0 109.929 179.546 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 -59.89 -40.48 88.87 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.236 -0.915 . . . . 0.0 110.652 -178.861 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -109.11 0.31 19.77 Favored 'General case' 0 N--CA 1.502 2.128 0 O-C-N 121.492 -0.755 . . . . 0.0 110.007 -179.688 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.49 ' N ' ' O ' ' A' ' 23' ' ' ALA . 19.4 m120 54.82 47.13 23.05 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.457 -0.777 . . . . 0.0 109.369 179.765 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 40.9 mt -111.1 152.37 43.67 Favored Pre-proline 0 N--CA 1.5 2.04 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 179.747 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -60.33 160.87 21.81 Favored 'Trans proline' 0 C--N 1.312 -1.379 0 C-N-CA 121.615 1.543 . . . . 0.0 110.957 179.634 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -55.01 -34.7 87.95 Favored 'Trans proline' 0 C--N 1.301 -1.963 0 C-N-CA 122.439 2.093 . . . . 0.0 111.905 -179.69 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 63.5 t -56.61 -48.22 80.91 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.728 0 O-C-N 120.954 -1.091 . . . . 0.0 110.441 -178.713 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 61.8 t -67.77 -46.53 82.29 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.861 0 C-N-CA 118.53 -1.268 . . . . 0.0 109.152 -178.93 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.12 -46.91 75.89 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.393 -0.817 . . . . 0.0 110.037 179.728 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 37.2 mtmt -61.39 -35.32 77.17 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.768 -1.207 . . . . 0.0 110.381 179.731 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.4 tm-20 -60.25 -39.85 88.23 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.118 -0.988 . . . . 0.0 109.826 -178.954 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 45.3 mt -59.84 -39.78 80.9 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.446 0 O-C-N 121.19 -0.944 . . . . 0.0 108.938 -179.659 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 81.6 t -62.35 -38.21 80.62 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 O-C-N 121.026 -1.046 . . . . 0.0 108.724 179.355 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.5 -30.53 69.77 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.428 -0.795 . . . . 0.0 109.364 179.755 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 66.6 m -80.51 -27.58 37.67 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.3 -0.875 . . . . 0.0 110.183 -179.574 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 48.0 t -82.58 102.37 11.37 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 120.94 -1.1 . . . . 0.0 109.152 -179.89 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -60.41 -29.64 69.1 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.509 -0.744 . . . . 0.0 110.193 179.956 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -70.01 -40.64 75.12 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.034 -1.041 . . . . 0.0 110.689 -178.392 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 91.1 m -87.53 -23.37 24.4 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.001 -1.062 . . . . 0.0 109.916 179.827 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -75.01 -67.99 0.59 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.32 -0.863 . . . . 0.0 110.24 -179.54 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 67.1 mt -82.68 98.25 8.96 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.19 -0.943 . . . . 0.0 109.917 -179.796 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.55 ' O ' ' N ' ' A' ' 48' ' ' GLU . 7.3 pttm -97.83 155.19 17.16 Favored 'General case' 0 N--CA 1.494 1.768 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 178.397 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -48.48 87.91 0.01 OUTLIER Glycine 0 N--CA 1.492 2.385 0 N-CA-C 110.129 -1.189 . . . . 0.0 110.129 -179.491 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.55 ' N ' ' O ' ' A' ' 46' ' ' LYS . 87.7 tt0 -162.64 -23.12 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.194 -1.18 . . . . 0.0 109.217 179.917 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -84.35 0.05 50.76 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.417 -0.802 . . . . 0.0 109.85 -179.771 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 76.6 mtp -60.92 138.04 58.18 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.062 -1.024 . . . . 0.0 109.616 179.926 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 75.9 m80 -117.52 125.2 50.45 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.485 -0.76 . . . . 0.0 109.399 179.645 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -91.26 95.67 2.1 Favored Glycine 0 N--CA 1.494 2.547 0 N-CA-C 108.934 -1.666 . . . . 0.0 108.934 179.235 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -76.6 151.49 36.24 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 120.991 -1.299 . . . . 0.0 109.111 -179.88 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.2 t 60.68 163.61 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.413 -0.804 . . . . 0.0 109.287 -179.147 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 38.2 t0 . . . . . 0 N--CA 1.496 1.856 0 CA-C-O 117.933 -1.032 . . . . 0.0 109.44 179.694 . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 73.6 m-85 . . . . . 0 N--CA 1.485 1.314 0 CA-C-O 121.26 0.552 . . . . 0.0 109.724 . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 23.3 mt -73.91 -42.48 60.58 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.256 -0.902 . . . . 0.0 111.075 -178.686 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -65.11 -49.18 70.98 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.009 -1.057 . . . . 0.0 111.153 -178.424 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.96 -48.21 82.47 Favored Glycine 0 N--CA 1.49 2.297 0 N-CA-C 110.244 -1.143 . . . . 0.0 110.244 -179.084 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . 0.411 ' O ' ' N ' ' B' ' 9' ' ' GLN . 96.3 mt -59.83 -39.96 81.36 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.562 0 O-C-N 121.322 -1.105 . . . . 0.0 110.738 -179.453 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -51.99 -42.28 62.84 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 120.842 -1.161 . . . . 0.0 108.725 -178.803 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 47.2 mttm -70.42 -46.3 64.21 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.216 -0.927 . . . . 0.0 109.609 178.672 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.28 -34.69 78.56 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.518 -0.739 . . . . 0.0 109.605 -179.726 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . 0.411 ' N ' ' O ' ' B' ' 5' ' ' ILE . 59.5 tt0 -58.52 -40.14 82.07 Favored 'General case' 0 C--N 1.3 -1.559 0 C-N-CA 119.416 -0.914 . . . . 0.0 108.843 -179.407 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 37.6 tp10 -62.05 -40.69 96.62 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 119.004 -1.079 . . . . 0.0 108.543 179.079 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -60.83 -39.91 90.79 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 179.528 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . 0.577 ' O ' ' N ' ' B' ' 16' ' ' HIS . 17.6 t60 -61.55 -46.18 90.99 Favored 'General case' 0 C--N 1.306 -1.306 0 C-N-CA 119.673 -0.811 . . . . 0.0 109.801 179.437 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -60.28 -43.52 96.16 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.326 -0.859 . . . . 0.0 110.356 -179.155 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 45.0 mtmt -60.46 -35.71 76.52 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.36 -0.838 . . . . 0.0 112.669 -178.63 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -134.66 -5.6 2.51 Favored 'General case' 0 N--CA 1.509 2.483 0 O-C-N 120.722 -1.236 . . . . 0.0 112.737 -177.032 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.577 ' N ' ' O ' ' B' ' 12' ' ' HIS . 89.0 m-70 55.2 41.23 31.66 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 120.593 -1.317 . . . . 0.0 107.519 -177.8 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 96.4 p -64.93 155.29 34.84 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.563 -0.711 . . . . 0.0 110.725 -178.248 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 -71.13 160.53 32.71 Favored 'General case' 0 N--CA 1.491 1.606 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 179.719 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 49.7 p-90 -57.68 -30.11 65.19 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.197 -0.94 . . . . 0.0 110.247 -179.811 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 82.8 mtm180 -63.06 -41.66 99.5 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.902 -1.124 . . . . 0.0 110.555 -179.797 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.0 -47.5 68.33 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.263 -0.898 . . . . 0.0 109.656 -179.449 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 78.7 mtm -61.62 -39.59 91.81 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.186 -0.947 . . . . 0.0 109.614 179.625 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . 0.485 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -57.79 -45.76 85.57 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.287 -0.883 . . . . 0.0 109.159 179.916 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 23.2 t -70.07 -38.79 75.82 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.296 -0.877 . . . . 0.0 109.885 179.918 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -60.33 -41.01 92.64 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.165 -0.96 . . . . 0.0 110.576 -178.917 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -108.14 0.1 21.38 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.367 -0.833 . . . . 0.0 110.017 -179.926 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . 0.485 ' N ' ' O ' ' B' ' 23' ' ' ALA . 18.6 m120 55.13 48.32 19.85 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.237 -0.914 . . . . 0.0 109.291 179.88 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 41.4 mt -112.21 152.47 44.45 Favored Pre-proline 0 N--CA 1.503 2.221 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 179.63 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -60.17 160.94 21.01 Favored 'Trans proline' 0 N--CA 1.49 1.303 0 C-N-CA 121.324 1.349 . . . . 0.0 110.949 179.448 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -55.6 -33.76 87.95 Favored 'Trans proline' 0 C--N 1.304 -1.786 0 C-N-CA 122.508 2.139 . . . . 0.0 112.169 -179.579 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 62.2 t -56.96 -48.52 81.46 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.762 0 O-C-N 120.821 -1.174 . . . . 0.0 110.211 -179.045 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 60.1 t -67.36 -47.14 82.03 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.874 0 C-N-CA 118.545 -1.262 . . . . 0.0 109.285 -178.776 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.26 -45.62 79.91 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.255 -0.903 . . . . 0.0 110.172 179.943 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 36.1 mtmt -61.77 -36.07 79.99 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.784 -1.198 . . . . 0.0 110.182 179.631 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 14.2 tm-20 -59.85 -39.93 86.83 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.011 -1.056 . . . . 0.0 110.188 -179.028 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 46.4 mt -59.94 -39.99 81.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.525 0 O-C-N 121.003 -1.061 . . . . 0.0 108.765 179.943 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 76.6 t -62.04 -37.93 79.57 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.201 -0.937 . . . . 0.0 108.855 178.943 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . 0.526 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -60.71 -31.83 71.1 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.539 -0.726 . . . . 0.0 109.702 179.694 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 66.1 m -79.58 -26.97 41.17 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.295 -0.878 . . . . 0.0 109.976 -179.437 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 49.7 t -82.73 102.58 11.63 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.754 -1.216 . . . . 0.0 109.413 179.844 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -60.84 -29.68 69.65 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.332 -0.855 . . . . 0.0 110.159 -179.858 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -69.54 -41.22 76.24 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.054 -1.029 . . . . 0.0 110.74 -178.669 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 86.7 m -87.26 -22.7 25.03 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.005 -1.06 . . . . 0.0 109.836 179.858 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . 0.526 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 7.2 tt0 -75.7 -68.8 0.53 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.405 -0.81 . . . . 0.0 109.94 -179.394 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 63.5 mt -82.15 97.38 8.18 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.228 -0.92 . . . . 0.0 110.013 -179.631 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . 0.548 ' O ' ' N ' ' B' ' 48' ' ' GLU . 8.8 pttm -97.14 156.29 16.46 Favored 'General case' 0 N--CA 1.495 1.819 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 178.49 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -48.86 88.1 0.01 OUTLIER Glycine 0 N--CA 1.494 2.519 0 N-CA-C 110.106 -1.198 . . . . 0.0 110.106 -179.67 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . 0.548 ' N ' ' O ' ' B' ' 46' ' ' LYS . 87.8 tt0 -162.8 -25.2 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.079 -1.248 . . . . 0.0 109.269 179.759 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -82.09 -0.6 45.35 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.447 -0.783 . . . . 0.0 110.152 -179.592 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 77.9 mtp -60.32 137.84 58.06 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.214 -0.929 . . . . 0.0 109.853 -179.886 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 73.8 m80 -117.42 125.45 50.98 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.516 -0.74 . . . . 0.0 109.593 179.41 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -91.45 96.12 2.14 Favored Glycine 0 N--CA 1.491 2.33 0 N-CA-C 108.778 -1.729 . . . . 0.0 108.778 179.406 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -77.25 152.01 34.85 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.0 -1.294 . . . . 0.0 108.818 179.965 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 3.4 t 60.26 162.74 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.282 -0.886 . . . . 0.0 109.227 -178.995 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 41.1 t0 . . . . . 0 N--CA 1.495 1.801 0 O-C-N 121.103 -0.998 . . . . 0.0 109.484 179.673 . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 56.7 m-85 . . . . . 0 N--CA 1.49 1.56 0 CA-C-O 121.476 0.655 . . . . 0.0 109.405 . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 21.5 mt -70.03 -39.05 76.01 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.258 -0.901 . . . . 0.0 111.657 -178.187 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -61.3 -50.33 73.41 Favored 'General case' 0 C--N 1.298 -1.653 0 O-C-N 120.886 -1.134 . . . . 0.0 111.595 -177.052 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.26 -44.33 66.38 Favored Glycine 0 N--CA 1.494 2.53 0 N-CA-C 110.038 -1.225 . . . . 0.0 110.038 -179.014 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 88.7 mt -59.41 -39.18 78.45 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.642 0 O-C-N 121.889 -0.771 . . . . 0.0 110.189 -179.533 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 85.8 m-20 -56.55 -47.22 79.92 Favored 'General case' 0 C--N 1.3 -1.544 0 C-N-CA 118.315 -1.354 . . . . 0.0 108.478 -179.569 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -68.08 -45.44 73.76 Favored 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 119.375 -0.93 . . . . 0.0 109.113 179.061 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.83 -39.04 93.09 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.229 -0.919 . . . . 0.0 110.175 179.709 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -56.29 -40.62 74.59 Favored 'General case' 0 N--CA 1.485 1.275 0 O-C-N 121.491 -0.756 . . . . 0.0 109.753 -179.527 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 65.7 tt0 -60.12 -40.31 89.26 Favored 'General case' 0 N--CA 1.486 1.326 0 O-C-N 121.088 -1.007 . . . . 0.0 109.158 178.683 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 24.7 tp10 -60.23 -39.86 88.16 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 179.073 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.562 ' O ' ' N ' ' A' ' 16' ' ' HIS . 14.0 t60 -60.97 -48.17 83.07 Favored 'General case' 0 C--N 1.304 -1.397 0 C-N-CA 119.419 -0.912 . . . . 0.0 109.51 179.761 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -59.57 -41.39 90.1 Favored 'General case' 0 C--N 1.297 -1.712 0 O-C-N 121.076 -1.015 . . . . 0.0 110.374 -179.318 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt -60.88 -30.9 70.43 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.971 -1.081 . . . . 0.0 112.799 -179.012 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -140.28 -8.13 1.16 Allowed 'General case' 0 N--CA 1.513 2.721 0 O-C-N 120.66 -1.275 . . . . 0.0 112.869 -176.874 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.562 ' N ' ' O ' ' A' ' 12' ' ' HIS . 90.7 m-70 56.84 41.65 27.68 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 120.543 -1.348 . . . . 0.0 107.794 -177.025 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 88.5 p -61.36 159.06 13.19 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.427 -0.796 . . . . 0.0 110.686 -179.449 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -74.21 160.1 31.62 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.213 -0.929 . . . . 0.0 108.96 179.694 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 37.1 p-90 -57.19 -30.34 64.45 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 120.505 -1.372 . . . . 0.0 110.063 -179.503 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -63.5 -39.8 95.39 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.027 -1.046 . . . . 0.0 110.888 179.977 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.52 -49.82 56.7 Favored 'General case' 0 N--CA 1.486 1.375 0 O-C-N 120.987 -1.071 . . . . 0.0 108.641 -179.853 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 78.3 mtm -59.11 -41.27 87.77 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.172 -0.955 . . . . 0.0 109.329 179.377 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.511 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -58.41 -48.75 79.67 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.949 -1.094 . . . . 0.0 108.737 179.123 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 8.6 t -68.7 -36.82 78.97 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.144 -0.973 . . . . 0.0 110.465 179.767 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -60.28 -40.13 89.33 Favored 'General case' 0 N--CA 1.492 1.648 0 C-N-CA 118.898 -1.121 . . . . 0.0 110.593 -178.895 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -111.9 2.75 17.15 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.366 -0.834 . . . . 0.0 109.921 -179.471 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.511 ' N ' ' O ' ' A' ' 23' ' ' ALA . 86.9 m-20 56.36 45.28 23.11 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.46 -0.775 . . . . 0.0 110.501 179.973 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 48.6 mt -109.28 152.74 42.79 Favored Pre-proline 0 N--CA 1.503 2.209 0 O-C-N 121.354 -0.842 . . . . 0.0 108.996 179.695 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_endo -61.59 145.9 97.33 Favored 'Trans proline' 0 N--CA 1.496 1.621 0 C-N-CA 122.116 1.877 . . . . 0.0 111.462 179.739 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_exo -39.7 -38.19 1.66 Allowed 'Trans proline' 0 C--N 1.314 -1.261 0 C-N-CA 122.086 1.858 . . . . 0.0 112.82 -179.944 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 90.6 t -54.51 -49.32 66.92 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.899 0 O-C-N 120.822 -1.174 . . . . 0.0 110.734 -178.199 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 57.3 t -65.95 -46.22 88.93 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.08 0 C-N-CA 118.01 -1.476 . . . . 0.0 109.629 -178.978 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.45 -45.03 77.2 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.351 -0.843 . . . . 0.0 110.124 -179.758 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 43.7 mtmt -61.45 -36.44 80.41 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 120.646 -1.284 . . . . 0.0 110.331 179.834 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.4 tm-20 -60.1 -39.6 86.71 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 120.842 -1.161 . . . . 0.0 109.907 -179.459 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 90.0 mt -59.9 -39.73 80.86 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.295 0 O-C-N 120.595 -1.316 . . . . 0.0 109.336 179.644 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 78.6 t -61.52 -40.36 86.18 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 O-C-N 121.1 -1.0 . . . . 0.0 108.884 179.078 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.22 -35.87 74.4 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.988 -1.07 . . . . 0.0 109.742 -179.845 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 40.7 m -73.88 -27.08 60.88 Favored 'General case' 0 C--N 1.297 -1.701 0 C-N-CA 119.755 -0.778 . . . . 0.0 109.188 179.595 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 41.6 t -84.62 106.23 16.02 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.131 -0.981 . . . . 0.0 109.665 179.97 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 59.1 m-20 -62.1 -30.81 71.27 Favored 'General case' 0 N--CA 1.504 2.255 0 O-C-N 121.347 -0.846 . . . . 0.0 111.091 -179.403 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 65.6 mttp -69.88 -38.9 76.53 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 120.688 -1.257 . . . . 0.0 110.412 -178.942 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 88.5 m -89.27 -16.38 31.31 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.991 -1.068 . . . . 0.0 109.494 179.617 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -70.63 -65.51 0.72 Allowed 'General case' 0 N--CA 1.497 1.893 0 O-C-N 120.714 -1.241 . . . . 0.0 109.358 179.835 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 44.3 mt -83.75 98.21 9.56 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 178.98 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.7 tmtm? -92.54 136.0 33.59 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.521 -0.737 . . . . 0.0 109.748 -179.142 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.433 ' O ' ' O ' ' A' ' 48' ' ' GLU . . . 65.43 50.24 56.48 Favored Glycine 0 N--CA 1.494 2.538 0 N-CA-C 109.886 -1.286 . . . . 0.0 109.886 -179.833 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.433 ' O ' ' O ' ' A' ' 47' ' ' GLY . 79.4 mt-10 53.7 174.56 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.567 -0.961 . . . . 0.0 108.631 -179.924 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -111.55 -151.68 0.49 Allowed 'General case' 0 N--CA 1.498 1.935 0 O-C-N 120.979 -1.076 . . . . 0.0 109.828 179.92 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.423 ' O ' ' O ' ' B' ' 50' ' ' MET . 9.0 ttt -57.42 146.4 29.51 Favored 'General case' 0 N--CA 1.485 1.296 0 O-C-N 121.693 -0.629 . . . . 0.0 109.687 -179.855 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 91.0 m-70 -91.32 9.52 31.16 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.362 -0.836 . . . . 0.0 109.442 -179.903 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 75.87 -135.91 18.81 Favored Glycine 0 N--CA 1.493 2.438 0 N-CA-C 110.334 -1.106 . . . . 0.0 110.334 -179.851 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.517 ' C ' ' H ' ' A' ' 55' ' ' ASP . 99.0 mm-40 -81.94 -167.91 1.72 Allowed 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.308 -1.113 . . . . 0.0 109.318 -179.843 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 6.6 t 56.16 6.66 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.894 0 O-C-N 121.388 -0.82 . . . . 0.0 109.642 179.382 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.517 ' H ' ' C ' ' A' ' 53' ' ' GLN . 24.4 p-10 . . . . . 0 C--N 1.29 -2.021 0 O-C-N 121.465 -0.772 . . . . 0.0 110.021 179.935 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 53.2 m-85 . . . . . 0 N--CA 1.493 1.693 0 CA-C-O 121.765 0.793 . . . . 0.0 109.255 . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 24.6 mt -70.05 -36.96 75.4 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.098 -1.001 . . . . 0.0 112.096 -178.274 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -64.29 -49.14 72.98 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.606 -1.309 . . . . 0.0 110.959 -178.098 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.09 -46.29 59.13 Favored Glycine 0 N--CA 1.493 2.441 0 O-C-N 120.544 -1.348 . . . . 0.0 109.927 -179.374 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 97.0 mt -58.12 -39.45 72.93 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.499 0 O-C-N 121.471 -1.017 . . . . 0.0 110.468 -178.995 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -56.55 -46.7 80.56 Favored 'General case' 0 C--N 1.301 -1.517 0 C-N-CA 118.87 -1.132 . . . . 0.0 108.139 179.861 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 34.5 ttmt -69.41 -42.08 75.52 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.144 -0.972 . . . . 0.0 109.778 178.584 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.14 -36.03 82.05 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.684 -0.635 . . . . 0.0 109.734 179.555 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 -58.59 -40.4 83.09 Favored 'General case' 0 C--N 1.3 -1.544 0 C-N-CA 119.661 -0.816 . . . . 0.0 109.683 -179.597 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 73.1 tt0 -61.22 -39.96 92.23 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.582 -1.324 . . . . 0.0 109.034 179.027 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 27.1 tp10 -60.13 -39.43 86.22 Favored 'General case' 0 N--CA 1.494 1.76 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 179.184 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . 0.54 ' O ' ' N ' ' B' ' 16' ' ' HIS . 12.7 t60 -61.64 -46.32 90.29 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.353 -0.842 . . . . 0.0 109.702 179.43 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.51 -42.93 97.38 Favored 'General case' 0 C--N 1.298 -1.632 0 O-C-N 120.763 -1.21 . . . . 0.0 110.48 -179.98 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -60.44 -30.81 69.88 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.144 -0.973 . . . . 0.0 112.528 -179.023 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -140.44 -7.43 1.15 Allowed 'General case' 0 N--CA 1.511 2.582 0 O-C-N 120.292 -1.505 . . . . 0.0 112.904 -176.878 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.54 ' N ' ' O ' ' B' ' 12' ' ' HIS . 89.8 m-70 55.12 41.7 31.4 Favored 'General case' 0 N--CA 1.495 1.824 0 N-CA-C 107.335 -1.357 . . . . 0.0 107.335 -177.344 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 97.8 p -62.0 159.44 14.3 Favored 'General case' 0 C--N 1.309 -1.157 0 O-C-N 121.32 -0.862 . . . . 0.0 110.416 -178.67 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -74.11 160.5 31.14 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.119 -0.988 . . . . 0.0 109.128 179.724 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 35.7 p-90 -56.81 -30.5 63.79 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.943 -1.098 . . . . 0.0 110.242 -179.634 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -62.57 -40.33 96.5 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.723 -1.236 . . . . 0.0 110.433 179.867 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.51 -48.01 65.5 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 120.969 -1.082 . . . . 0.0 109.21 -179.845 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 78.7 mtm -61.37 -41.01 96.4 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.18 -0.95 . . . . 0.0 109.72 179.586 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -58.58 -47.21 85.05 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.387 -0.82 . . . . 0.0 109.086 179.363 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 16.1 t -70.67 -36.06 73.16 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.322 -0.861 . . . . 0.0 110.122 179.998 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 85.6 m-20 -60.6 -37.69 82.22 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.213 -0.93 . . . . 0.0 110.152 -178.362 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -114.82 3.5 14.65 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.548 -0.72 . . . . 0.0 110.036 -179.707 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . 0.462 ' N ' ' O ' ' B' ' 23' ' ' ALA . 87.4 m-20 54.64 45.34 27.03 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.437 -0.789 . . . . 0.0 110.201 -179.623 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 69.2 mt -108.84 152.67 42.45 Favored Pre-proline 0 N--CA 1.506 2.346 0 O-C-N 121.396 -0.815 . . . . 0.0 109.12 179.535 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -62.09 147.73 94.53 Favored 'Trans proline' 0 N--CA 1.494 1.557 0 C-N-CA 121.778 1.652 . . . . 0.0 111.256 -179.946 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_exo -41.71 -38.02 4.18 Favored 'Trans proline' 0 C--N 1.312 -1.354 0 C-N-CA 122.57 2.18 . . . . 0.0 112.62 -179.847 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 84.3 t -54.73 -47.31 73.85 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.809 0 O-C-N 121.353 -0.842 . . . . 0.0 111.04 -178.045 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 60.5 t -67.21 -48.27 78.94 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.077 0 C-N-CA 118.389 -1.325 . . . . 0.0 109.136 -179.439 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.4 -45.65 83.13 Favored 'General case' 0 N--CA 1.493 1.678 0 C-N-CA 120.24 -0.584 . . . . 0.0 110.314 179.867 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 44.0 mtmt -61.81 -35.04 77.03 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 120.854 -1.154 . . . . 0.0 110.031 -179.91 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 14.7 tm-20 -61.23 -38.0 85.06 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 120.915 -1.116 . . . . 0.0 110.571 -178.84 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 89.6 mt -61.35 -39.5 82.96 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.441 0 O-C-N 120.828 -1.17 . . . . 0.0 108.24 -179.408 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 72.5 t -61.34 -38.98 81.15 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.611 0 O-C-N 121.295 -0.878 . . . . 0.0 109.542 178.754 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . 0.5 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -59.52 -36.72 76.65 Favored 'General case' 0 C--N 1.297 -1.677 0 O-C-N 121.216 -0.928 . . . . 0.0 109.172 -179.988 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 39.4 m -72.1 -28.85 63.57 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.467 -0.77 . . . . 0.0 110.122 179.851 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 37.6 t -84.42 104.69 14.65 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.159 -0.963 . . . . 0.0 109.739 -179.734 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -60.34 -30.71 69.7 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.308 -0.87 . . . . 0.0 111.403 -179.68 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 65.0 mttp -68.56 -40.78 80.48 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.007 -1.058 . . . . 0.0 110.835 -178.883 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 90.0 m -88.19 -14.91 37.39 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.973 -1.08 . . . . 0.0 110.154 179.671 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . 0.5 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 25.5 tt0 -71.91 -67.3 0.54 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.936 -1.102 . . . . 0.0 108.913 -179.739 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 42.7 mt -82.35 99.85 9.62 Favored 'General case' 0 N--CA 1.492 1.641 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 178.661 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 2.2 tmtm? -94.55 137.2 33.97 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.246 -0.909 . . . . 0.0 109.919 -178.77 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 66.0 48.14 68.14 Favored Glycine 0 N--CA 1.489 2.208 0 N-CA-C 109.241 -1.544 . . . . 0.0 109.241 179.845 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 76.0 mt-10 55.44 179.18 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.287 -1.125 . . . . 0.0 108.751 -179.649 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -116.92 -154.69 0.56 Allowed 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.392 -0.817 . . . . 0.0 109.768 -179.447 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 50' ' ' MET . . . . . 0.423 ' O ' ' O ' ' A' ' 50' ' ' MET . 8.2 ttt -56.42 145.86 26.2 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.565 -0.709 . . . . 0.0 109.825 -179.272 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 94.5 m-70 -90.87 11.18 23.44 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.491 -0.756 . . . . 0.0 109.567 179.873 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 75.14 -137.61 22.29 Favored Glycine 0 N--CA 1.49 2.246 0 C-N-CA 119.607 -1.282 . . . . 0.0 110.439 179.986 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . 0.451 ' C ' ' H ' ' B' ' 55' ' ' ASP . 99.0 mm-40 -81.92 -170.63 2.95 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.372 -1.075 . . . . 0.0 109.539 -179.492 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 5.6 t 58.42 7.87 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 120.91 -1.119 . . . . 0.0 109.826 179.524 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . 0.451 ' H ' ' C ' ' B' ' 53' ' ' GLN . 27.0 p-10 . . . . . 0 C--N 1.291 -1.962 0 CA-C-O 117.886 -1.054 . . . . 0.0 109.8 179.292 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 . . . . . 0 N--CA 1.493 1.701 0 CA-C-O 121.57 0.7 . . . . 0.0 109.534 . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 25.2 mt -73.37 -22.44 60.27 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.551 -0.718 . . . . 0.0 111.829 -178.113 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 85.8 m-20 -63.35 -59.29 4.89 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.515 -1.366 . . . . 0.0 111.307 -178.553 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.43 -41.31 96.48 Favored Glycine 0 N--CA 1.492 2.427 0 C-N-CA 119.717 -1.23 . . . . 0.0 110.063 -179.375 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.463 ' O ' ' N ' ' A' ' 9' ' ' GLN . 96.4 mt -59.7 -40.42 82.32 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.525 0 O-C-N 121.327 -1.102 . . . . 0.0 110.506 -179.292 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 47.0 t0 -56.48 -44.77 80.96 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 120.935 -1.103 . . . . 0.0 108.582 -179.915 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -70.09 -43.19 71.6 Favored 'General case' 0 N--CA 1.49 1.55 0 C-N-CA 119.162 -1.015 . . . . 0.0 108.948 178.497 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.69 -35.01 79.53 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.035 -1.041 . . . . 0.0 109.564 179.582 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.463 ' N ' ' O ' ' A' ' 5' ' ' ILE . 54.2 tt0 -58.57 -40.0 81.85 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.213 -0.93 . . . . 0.0 109.397 -179.216 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -60.55 -40.33 91.17 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 119.198 -1.001 . . . . 0.0 108.812 179.181 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 21.2 tp10 -60.02 -40.34 88.95 Favored 'General case' 0 N--CA 1.486 1.364 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 179.449 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.563 ' O ' ' N ' ' A' ' 16' ' ' HIS . 17.2 t60 -60.24 -45.66 92.46 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 121.081 -1.012 . . . . 0.0 109.757 179.359 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -61.02 -42.37 98.34 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.272 -0.893 . . . . 0.0 110.332 -179.167 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -62.0 -30.07 70.7 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.39 -0.818 . . . . 0.0 112.644 -178.378 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -140.24 -7.06 1.19 Allowed 'General case' 0 N--CA 1.508 2.444 0 O-C-N 120.651 -1.281 . . . . 0.0 112.475 -177.028 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.563 ' N ' ' O ' ' A' ' 12' ' ' HIS . 84.1 m-70 54.54 39.8 31.39 Favored 'General case' 0 N--CA 1.493 1.714 0 N-CA-C 107.505 -1.295 . . . . 0.0 107.505 -177.217 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 86.0 p -65.24 157.86 27.78 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.462 -0.774 . . . . 0.0 110.648 -178.538 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -71.93 160.03 33.24 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.582 -0.699 . . . . 0.0 109.482 179.802 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 50.9 p-90 -58.87 -29.57 67.09 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.281 -0.887 . . . . 0.0 110.017 -179.647 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 61.2 mtp180 -62.73 -39.86 95.39 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.03 -1.043 . . . . 0.0 109.847 179.559 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.82 -49.41 52.86 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.128 -0.982 . . . . 0.0 109.254 179.932 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 77.7 mtm -61.35 -39.89 92.26 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.227 -0.921 . . . . 0.0 109.573 179.785 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.92 -49.26 77.37 Favored 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 119.347 -0.941 . . . . 0.0 109.443 179.872 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 16.5 m -70.73 -34.83 72.3 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.317 -0.864 . . . . 0.0 109.918 179.952 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 56.9 t0 -60.34 -44.76 95.23 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.178 -0.951 . . . . 0.0 110.831 -178.965 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -105.98 0.43 25.71 Favored 'General case' 0 N--CA 1.503 2.203 0 O-C-N 121.17 -0.956 . . . . 0.0 109.623 179.877 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 51.8 t30 59.75 49.31 8.24 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.433 -0.792 . . . . 0.0 109.958 179.588 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 51.9 mt -113.61 152.36 45.36 Favored Pre-proline 0 N--CA 1.5 2.029 0 O-C-N 121.145 -0.972 . . . . 0.0 108.688 179.755 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_endo -60.81 163.28 16.37 Favored 'Trans proline' 0 N--CA 1.492 1.406 0 C-N-CA 121.752 1.635 . . . . 0.0 110.954 179.245 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.401 ' O ' ' N ' ' A' ' 34' ' ' LYS . 19.5 Cg_endo -56.5 -37.11 97.97 Favored 'Trans proline' 0 C--N 1.302 -1.881 0 C-N-CA 122.45 2.1 . . . . 0.0 112.909 -179.464 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 91.2 t -57.59 -45.65 86.31 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.037 -1.039 . . . . 0.0 110.232 -178.839 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 44.9 t -68.36 -48.57 72.41 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.782 0 C-N-CA 118.492 -1.283 . . . . 0.0 109.018 -179.48 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.68 -47.98 73.62 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.336 -0.853 . . . . 0.0 110.319 179.964 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.401 ' N ' ' O ' ' A' ' 30' ' ' PRO . 95.1 mttt -60.99 -34.17 74.37 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.111 -0.993 . . . . 0.0 110.141 -179.879 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.9 tm-20 -62.13 -38.34 88.58 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 120.861 -1.15 . . . . 0.0 110.065 -179.766 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 83.3 mt -59.64 -40.11 81.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 120.9 -1.125 . . . . 0.0 108.803 -179.683 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 88.9 t -62.88 -39.89 86.73 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.082 -1.011 . . . . 0.0 108.645 179.598 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.23 -31.07 69.83 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.564 -0.71 . . . . 0.0 109.279 179.573 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.1 m -76.87 -30.08 56.09 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 121.36 -0.837 . . . . 0.0 109.325 -179.814 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 46.3 t -81.9 101.95 10.56 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.288 -0.883 . . . . 0.0 109.242 179.968 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -60.08 -29.79 68.8 Favored 'General case' 0 C--N 1.297 -1.683 0 O-C-N 121.465 -0.772 . . . . 0.0 109.879 179.644 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -70.56 -43.87 68.6 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.03 -1.044 . . . . 0.0 111.204 -179.215 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 90.8 m -82.59 -22.97 34.62 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 120.722 -1.236 . . . . 0.0 109.71 -179.889 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -77.3 -75.74 0.2 Allowed 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.241 -0.912 . . . . 0.0 108.835 -179.746 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 31.9 mt -81.97 96.77 7.81 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.965 -1.084 . . . . 0.0 109.015 179.539 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.4 mtpm? -90.46 -9.26 48.05 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.376 -0.828 . . . . 0.0 109.024 179.389 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -105.75 141.2 15.36 Favored Glycine 0 N--CA 1.501 3.002 0 N-CA-C 109.619 -1.393 . . . . 0.0 109.619 179.941 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.422 ' CD ' ' N ' ' A' ' 48' ' ' GLU . 41.1 mp0 -86.16 -68.56 0.73 Allowed 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.127 -1.219 . . . . 0.0 109.361 179.817 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -178.82 154.34 0.72 Allowed 'General case' 0 N--CA 1.492 1.646 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 -179.826 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.529 ' O ' ' N ' ' B' ' 50' ' ' MET . 63.4 mtt -151.13 -167.3 2.77 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.09 -1.006 . . . . 0.0 109.184 179.637 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -151.37 165.29 34.55 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.081 -1.012 . . . . 0.0 109.338 179.957 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -77.54 -142.68 1.72 Allowed Glycine 0 N--CA 1.488 2.122 0 N-CA-C 109.708 -1.357 . . . . 0.0 109.708 -179.746 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.547 ' C ' ' H ' ' A' ' 55' ' ' ASP . 48.6 tp60 -75.5 48.23 0.43 Allowed 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.256 -1.143 . . . . 0.0 109.29 -179.829 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.6 t 58.53 1.96 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.428 -0.795 . . . . 0.0 109.72 -179.95 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.547 ' H ' ' C ' ' A' ' 53' ' ' GLN . 39.4 t0 . . . . . 0 C--N 1.293 -1.856 0 CA-C-O 118.007 -0.997 . . . . 0.0 109.258 179.803 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 . . . . . 0 N--CA 1.493 1.698 0 CA-C-O 121.431 0.634 . . . . 0.0 109.771 . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 27.1 mt -73.61 -20.87 60.48 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.536 -0.728 . . . . 0.0 111.943 -178.105 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -64.92 -59.0 4.67 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 120.349 -1.469 . . . . 0.0 111.01 -178.292 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.52 -40.51 96.18 Favored Glycine 0 N--CA 1.495 2.567 0 C-N-CA 119.688 -1.244 . . . . 0.0 110.236 -179.483 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 96.5 mt -60.33 -40.7 84.71 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.18 -1.188 . . . . 0.0 110.497 -179.241 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -56.3 -45.05 80.39 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 120.98 -1.075 . . . . 0.0 108.658 179.99 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -69.95 -42.9 72.6 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.025 -1.047 . . . . 0.0 108.864 178.805 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.3 -35.63 80.88 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.4 -0.812 . . . . 0.0 109.765 179.695 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 57.7 tt0 -57.58 -40.5 79.15 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 119.588 -0.845 . . . . 0.0 109.072 -179.391 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -60.28 -40.38 90.2 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 119.054 -1.058 . . . . 0.0 108.71 179.265 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 20.9 tp10 -59.87 -40.41 88.56 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 119.423 -0.911 . . . . 0.0 108.566 179.582 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . 0.556 ' O ' ' N ' ' B' ' 16' ' ' HIS . 19.0 t60 -60.37 -45.16 94.51 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.152 -0.968 . . . . 0.0 109.877 179.453 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -60.83 -42.34 97.54 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.394 -0.816 . . . . 0.0 110.327 -179.376 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 57.1 mtpt -62.79 -30.09 71.2 Favored 'General case' 0 C--N 1.298 -1.672 0 N-CA-C 112.863 0.69 . . . . 0.0 112.863 -178.118 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -139.91 -6.06 1.29 Allowed 'General case' 0 N--CA 1.506 2.372 0 O-C-N 120.603 -1.311 . . . . 0.0 112.293 -177.05 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.556 ' N ' ' O ' ' B' ' 12' ' ' HIS . 82.7 m-70 53.17 39.93 30.44 Favored 'General case' 0 N--CA 1.493 1.708 0 N-CA-C 107.317 -1.364 . . . . 0.0 107.317 -177.34 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 97.0 p -65.23 158.41 26.26 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.424 -0.797 . . . . 0.0 110.712 -178.707 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -72.64 160.46 32.2 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.337 -0.852 . . . . 0.0 109.425 179.777 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 52.3 p-90 -58.69 -30.07 67.12 Favored 'General case' 0 C--N 1.303 -1.415 0 C-N-CA 119.55 -0.86 . . . . 0.0 109.952 -179.794 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 60.3 mtp180 -62.53 -40.01 95.39 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.016 -1.053 . . . . 0.0 109.756 179.917 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.27 -49.5 55.51 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.24 -0.912 . . . . 0.0 109.277 179.691 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 77.8 mtm -61.72 -39.79 92.78 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.313 -0.867 . . . . 0.0 109.667 179.615 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.93 -49.22 77.5 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 119.233 -0.987 . . . . 0.0 109.137 -179.914 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 15.6 m -70.81 -34.44 71.73 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.253 -0.905 . . . . 0.0 110.113 179.933 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 55.2 t0 -60.32 -46.06 91.23 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.175 -0.953 . . . . 0.0 110.499 -178.988 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -104.96 0.7 28.03 Favored 'General case' 0 N--CA 1.502 2.17 0 O-C-N 121.276 -0.89 . . . . 0.0 110.055 179.961 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 50.7 t30 59.5 49.92 8.05 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.341 -0.849 . . . . 0.0 109.848 179.513 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 53.9 mt -114.12 151.99 45.43 Favored Pre-proline 0 N--CA 1.502 2.166 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 179.711 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 27.2 Cg_endo -60.96 163.24 16.84 Favored 'Trans proline' 0 N--CA 1.49 1.301 0 C-N-CA 121.795 1.663 . . . . 0.0 110.858 179.295 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -56.37 -37.16 97.51 Favored 'Trans proline' 0 C--N 1.3 -2.009 0 C-N-CA 122.485 2.123 . . . . 0.0 112.489 -179.251 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 95.9 t -57.78 -45.45 87.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 120.913 -1.117 . . . . 0.0 110.369 -178.7 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 45.1 t -68.65 -47.58 76.02 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.71 0 C-N-CA 118.264 -1.374 . . . . 0.0 109.1 -179.242 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.95 -47.33 71.96 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.403 -0.811 . . . . 0.0 110.198 179.739 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -60.85 -34.85 75.22 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.801 -1.187 . . . . 0.0 110.32 179.847 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.1 tm-20 -61.13 -38.91 88.09 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 120.997 -1.064 . . . . 0.0 110.083 -179.978 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 84.8 mt -59.36 -40.36 81.32 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 120.985 -1.072 . . . . 0.0 109.205 -179.859 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 86.6 t -62.7 -39.72 85.8 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.478 0 C-N-CA 119.21 -0.996 . . . . 0.0 108.584 179.64 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . 0.524 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -60.37 -30.72 69.75 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.528 -0.732 . . . . 0.0 109.193 179.511 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 17.0 m -77.3 -29.79 53.84 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.401 -0.812 . . . . 0.0 109.169 -179.607 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 44.3 t -82.56 102.25 11.28 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.306 -0.871 . . . . 0.0 109.43 -179.939 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -60.83 -28.6 68.93 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.496 -0.753 . . . . 0.0 109.822 -179.857 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -71.79 -42.7 66.8 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.177 -0.952 . . . . 0.0 110.875 -178.837 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 87.1 m -83.09 -23.44 33.08 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 120.742 -1.224 . . . . 0.0 109.645 179.684 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . 0.524 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 6.8 tt0 -77.05 -75.05 0.22 Allowed 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.415 -0.803 . . . . 0.0 109.057 -179.686 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 32.8 mt -82.84 95.93 8.07 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.03 -1.044 . . . . 0.0 109.07 179.695 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 9.1 mtpm? -89.88 -8.71 51.28 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.413 -0.804 . . . . 0.0 109.23 179.787 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -106.85 140.06 15.12 Favored Glycine 0 N--CA 1.499 2.89 0 N-CA-C 109.839 -1.305 . . . . 0.0 109.839 179.729 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . 0.458 ' OE1' ' N ' ' B' ' 48' ' ' GLU . 41.4 mp0 -84.03 -69.54 0.63 Allowed 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.124 -1.221 . . . . 0.0 109.195 179.496 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -178.7 154.97 0.78 Allowed 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.318 -0.864 . . . . 0.0 109.072 179.806 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 50' ' ' MET . . . . . 0.529 ' N ' ' O ' ' A' ' 50' ' ' MET . 63.0 mtt -150.88 -167.29 2.77 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 120.927 -1.108 . . . . 0.0 109.187 179.696 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -150.59 164.61 35.61 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.042 -1.036 . . . . 0.0 109.553 179.725 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -76.79 -142.46 1.39 Allowed Glycine 0 N--CA 1.489 2.184 0 N-CA-C 109.677 -1.369 . . . . 0.0 109.677 -179.465 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . 0.542 ' C ' ' H ' ' B' ' 55' ' ' ASP . 48.6 tp60 -75.79 48.05 0.45 Allowed 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.481 -1.011 . . . . 0.0 109.25 -179.995 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 2.7 t 58.41 2.64 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 CA-C-O 121.807 0.813 . . . . 0.0 109.689 -179.966 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . 0.542 ' H ' ' C ' ' B' ' 53' ' ' GLN . 38.7 t0 . . . . . 0 C--N 1.294 -1.829 0 CA-C-O 117.853 -1.07 . . . . 0.0 109.156 179.79 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 76.9 m-85 . . . . . 0 N--CA 1.493 1.707 0 CA-C-O 121.627 0.727 . . . . 0.0 109.679 . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 15.2 mt -72.92 -27.22 61.74 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 121.341 -0.85 . . . . 0.0 111.081 -178.258 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.516 ' OD1' ' N ' ' A' ' 3' ' ' ASP . 18.3 p-10 -69.44 -61.79 1.64 Allowed 'General case' 0 N--CA 1.496 1.847 0 O-C-N 120.805 -1.185 . . . . 0.0 111.542 -178.302 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.464 ' H ' ' CG ' ' A' ' 3' ' ' ASP . . . -60.13 -40.77 97.63 Favored Glycine 0 N--CA 1.495 2.591 0 C-N-CA 119.886 -1.149 . . . . 0.0 110.446 -178.773 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 96.4 mt -59.75 -39.36 79.55 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 O-C-N 121.199 -1.177 . . . . 0.0 109.729 -179.976 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 51.7 t0 -54.15 -47.16 72.25 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 120.76 -1.212 . . . . 0.0 108.463 -179.345 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 64.8 mttm -68.59 -43.62 76.09 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.199 -0.938 . . . . 0.0 109.761 178.972 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.94 -37.38 85.88 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.266 -0.896 . . . . 0.0 109.754 -179.892 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -57.8 -40.14 79.19 Favored 'General case' 0 C--N 1.305 -1.353 0 C-N-CA 119.365 -0.934 . . . . 0.0 109.263 -179.137 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -61.92 -42.22 98.84 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.176 -0.952 . . . . 0.0 109.011 178.521 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 25.3 tp10 -59.65 -40.86 89.1 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 179.44 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.555 ' O ' ' N ' ' A' ' 16' ' ' HIS . 13.0 t60 -60.44 -47.98 83.77 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.268 -0.895 . . . . 0.0 109.489 179.455 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -59.99 -40.41 89.06 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.979 -1.076 . . . . 0.0 110.08 -179.913 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.3 mtpp -62.06 -37.27 84.36 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.193 -0.942 . . . . 0.0 112.628 -178.98 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -135.2 -3.12 2.47 Favored 'General case' 0 N--CA 1.51 2.533 0 O-C-N 120.883 -1.136 . . . . 0.0 112.61 -177.069 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.555 ' N ' ' O ' ' A' ' 12' ' ' HIS . 89.6 m-70 53.78 40.68 31.79 Favored 'General case' 0 N--CA 1.495 1.824 0 N-CA-C 107.331 -1.359 . . . . 0.0 107.331 -177.649 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 78.3 p -62.51 158.0 18.98 Favored 'General case' 0 C--N 1.302 -1.478 0 CA-C-O 121.357 0.598 . . . . 0.0 110.509 -178.888 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 28.0 m120 -73.43 157.55 36.65 Favored 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 179.816 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 31.2 p-90 -57.6 -29.72 64.73 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.158 -0.964 . . . . 0.0 110.102 -179.33 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -62.91 -39.68 95.28 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.128 -0.983 . . . . 0.0 109.975 179.557 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.19 -49.7 54.21 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.356 -0.84 . . . . 0.0 109.6 -179.592 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 77.6 mtm -60.16 -39.49 86.61 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.224 -0.922 . . . . 0.0 109.379 179.062 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -58.38 -49.39 77.4 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.29 -0.881 . . . . 0.0 109.132 -179.923 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 21.6 t -70.33 -34.29 72.5 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.473 -0.767 . . . . 0.0 109.71 179.291 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 57.8 t0 -60.22 -42.41 95.1 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.223 -0.923 . . . . 0.0 110.466 -179.211 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -111.19 4.08 18.96 Favored 'General case' 0 N--CA 1.502 2.152 0 O-C-N 121.431 -0.793 . . . . 0.0 109.925 -179.867 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.433 ' N ' ' O ' ' A' ' 23' ' ' ALA . 13.2 m120 56.89 43.29 25.07 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.238 -0.913 . . . . 0.0 110.105 -179.95 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 86.8 mt -108.19 152.49 41.88 Favored Pre-proline 0 N--CA 1.5 2.025 0 O-C-N 121.319 -0.863 . . . . 0.0 109.105 -179.936 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_endo -62.48 150.35 87.77 Favored 'Trans proline' 0 N--CA 1.493 1.462 0 C-N-CA 121.858 1.706 . . . . 0.0 111.532 -179.813 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -44.32 -37.16 10.06 Favored 'Trans proline' 0 C--N 1.309 -1.52 0 C-N-CA 121.494 1.463 . . . . 0.0 111.647 -179.92 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 49.9 t -52.78 -51.39 36.68 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.638 0 C-N-CA 119.657 -0.817 . . . . 0.0 110.739 -178.279 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 61.6 t -64.86 -46.81 90.76 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.958 0 C-N-CA 118.324 -1.35 . . . . 0.0 109.942 -178.452 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.97 -45.85 76.44 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.142 -0.974 . . . . 0.0 110.293 179.981 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -60.8 -36.06 78.06 Favored 'General case' 0 C--N 1.302 -1.496 0 C-N-CA 119.273 -0.971 . . . . 0.0 110.205 -179.334 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -61.35 -38.57 87.42 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 120.991 -1.068 . . . . 0.0 109.835 -179.619 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 81.7 mt -60.92 -39.72 82.98 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.451 0 O-C-N 120.825 -1.172 . . . . 0.0 109.845 -179.893 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 85.9 t -62.35 -39.93 86.02 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.603 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 179.888 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.05 -30.25 69.07 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.475 -0.765 . . . . 0.0 109.379 179.841 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 63.9 m -77.17 -28.93 54.25 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.356 -0.84 . . . . 0.0 109.212 -179.762 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 42.7 t -81.76 104.08 11.9 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.53 -0.731 . . . . 0.0 109.403 179.769 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -62.0 -28.98 69.95 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.223 -0.923 . . . . 0.0 110.311 -179.842 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 81.2 mttt -70.09 -40.68 74.82 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.157 -0.964 . . . . 0.0 110.671 -177.987 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 66.2 m -83.26 -28.05 29.44 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.046 -1.034 . . . . 0.0 109.697 179.977 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.472 ' NE2' ' OE1' ' B' ' 44' ' ' GLN . 57.2 tt0 -75.98 -69.57 0.49 Allowed 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.197 -0.94 . . . . 0.0 109.086 179.986 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 58.0 mt -81.86 110.79 17.47 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 179.239 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 60.2 tttm -88.18 -9.69 52.27 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.099 -1.001 . . . . 0.0 109.265 -179.089 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 99.11 -3.45 58.37 Favored Glycine 0 N--CA 1.494 2.552 0 N-CA-C 109.294 -1.523 . . . . 0.0 109.294 179.817 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -61.65 -37.6 84.61 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.298 -1.119 . . . . 0.0 108.626 179.209 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.29 -16.07 63.81 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.74 -0.6 . . . . 0.0 110.33 -178.941 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.406 ' O ' ' O ' ' A' ' 51' ' ' HIS . 54.3 ttm -86.2 131.24 34.28 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.009 -1.057 . . . . 0.0 109.788 179.99 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.433 ' CE1' ' H ' ' A' ' 53' ' ' GLN . 58.6 t-80 56.89 164.63 0.03 OUTLIER 'General case' 0 C--N 1.298 -1.644 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 -179.508 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 166.12 53.26 0.03 OUTLIER Glycine 0 N--CA 1.484 1.861 0 N-CA-C 108.919 -1.672 . . . . 0.0 108.919 -179.027 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.433 ' H ' ' CE1' ' A' ' 51' ' ' HIS . 74.4 mt-30 59.46 31.11 20.82 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.791 -0.829 . . . . 0.0 109.673 -179.663 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 1.6 t 50.51 -149.69 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 120.94 -1.1 . . . . 0.0 108.731 179.733 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 81.7 m-20 . . . . . 0 N--CA 1.488 1.462 0 CA-C-O 117.935 -1.031 . . . . 0.0 109.16 179.777 . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . 0.409 ' O ' ' CD1' ' B' ' 5' ' ' ILE . 77.0 m-85 . . . . . 0 N--CA 1.491 1.606 0 CA-C-O 121.558 0.694 . . . . 0.0 109.71 . . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 16.6 mt -73.04 -27.97 62.06 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.52 -0.737 . . . . 0.0 111.747 -178.106 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . 0.515 ' OD1' ' N ' ' B' ' 3' ' ' ASP . 17.2 p-10 -70.0 -61.26 1.85 Allowed 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.572 -1.33 . . . . 0.0 111.016 -178.395 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . 0.472 ' H ' ' CG ' ' B' ' 3' ' ' ASP . . . -58.5 -43.08 96.15 Favored Glycine 0 N--CA 1.493 2.474 0 N-CA-C 110.104 -1.198 . . . . 0.0 110.104 -178.992 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . 0.414 ' O ' ' N ' ' B' ' 9' ' ' GLN . 97.8 mt -58.81 -38.87 75.17 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.562 0 O-C-N 121.441 -1.035 . . . . 0.0 110.386 -179.935 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 49.1 t0 -54.42 -47.16 73.13 Favored 'General case' 0 C--N 1.304 -1.411 0 C-N-CA 118.412 -1.315 . . . . 0.0 108.54 -179.461 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -68.11 -44.1 76.93 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 119.414 -0.914 . . . . 0.0 109.602 179.258 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.11 -36.48 83.26 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.353 -0.842 . . . . 0.0 109.797 -179.835 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . 0.414 ' N ' ' O ' ' B' ' 5' ' ' ILE . 51.1 tt0 -58.82 -40.34 83.84 Favored 'General case' 0 C--N 1.305 -1.328 0 O-C-N 121.235 -0.916 . . . . 0.0 109.033 -179.382 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -61.25 -41.76 97.46 Favored 'General case' 0 C--N 1.302 -1.457 0 C-N-CA 118.984 -1.086 . . . . 0.0 108.812 178.665 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 25.0 tp10 -60.4 -40.07 89.64 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.244 -0.91 . . . . 0.0 109.193 179.705 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . 0.574 ' O ' ' N ' ' B' ' 16' ' ' HIS . 13.0 t60 -61.03 -47.29 87.09 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 119.29 -0.964 . . . . 0.0 109.066 179.472 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -59.8 -40.84 89.69 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.1 -1.0 . . . . 0.0 109.971 -179.86 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp -62.33 -36.41 82.1 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.316 -0.865 . . . . 0.0 112.532 -178.609 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -135.78 -2.67 2.36 Favored 'General case' 0 N--CA 1.509 2.499 0 O-C-N 120.678 -1.264 . . . . 0.0 112.732 -177.547 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.574 ' N ' ' O ' ' B' ' 12' ' ' HIS . 90.1 m-70 53.98 40.7 31.87 Favored 'General case' 0 N--CA 1.497 1.905 0 N-CA-C 107.209 -1.404 . . . . 0.0 107.209 -177.048 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 83.1 p -63.57 158.78 20.26 Favored 'General case' 0 C--N 1.303 -1.417 0 CA-C-O 121.504 0.669 . . . . 0.0 110.69 -178.303 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 27.2 m120 -73.61 157.39 36.73 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.748 -0.595 . . . . 0.0 109.65 -179.819 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 27.9 p-90 -57.72 -30.22 65.35 Favored 'General case' 0 C--N 1.301 -1.508 0 C-N-CA 119.485 -0.886 . . . . 0.0 109.814 -179.601 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -62.85 -39.57 94.78 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.236 -0.915 . . . . 0.0 109.677 179.439 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.68 -50.36 51.64 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.106 -0.996 . . . . 0.0 109.762 -179.908 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 77.3 mtm -60.05 -38.93 84.26 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.151 -0.968 . . . . 0.0 109.559 178.948 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . 0.405 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -59.64 -49.16 78.82 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.304 -0.872 . . . . 0.0 108.844 -179.57 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 12.7 t -70.47 -33.39 71.21 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.728 -0.607 . . . . 0.0 109.834 179.613 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 59.9 t0 -60.66 -44.05 96.9 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.414 -0.804 . . . . 0.0 110.371 -179.116 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -109.62 3.85 21.49 Favored 'General case' 0 N--CA 1.504 2.227 0 O-C-N 121.615 -0.678 . . . . 0.0 110.184 -179.462 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . 0.405 ' N ' ' O ' ' B' ' 23' ' ' ALA . 13.7 m120 56.17 45.45 23.29 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.405 -0.809 . . . . 0.0 109.682 -179.658 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 91.2 mt -110.24 150.88 42.15 Favored Pre-proline 0 N--CA 1.498 1.966 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 179.545 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -60.54 152.28 69.37 Favored 'Trans proline' 0 N--CA 1.489 1.222 0 C-N-CA 121.728 1.619 . . . . 0.0 111.247 -179.844 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_exo -45.44 -37.97 15.27 Favored 'Trans proline' 0 C--N 1.313 -1.327 0 C-N-CA 121.821 1.681 . . . . 0.0 111.851 179.413 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 60.0 t -52.24 -49.52 40.74 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.813 0 O-C-N 121.446 -0.784 . . . . 0.0 110.657 -178.043 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 58.6 t -67.32 -47.36 81.43 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.922 0 C-N-CA 118.221 -1.392 . . . . 0.0 109.486 -178.34 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.82 -45.46 82.21 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.397 -0.814 . . . . 0.0 110.046 179.826 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 52.1 mtpt -61.06 -36.65 80.18 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.026 -1.046 . . . . 0.0 109.991 -179.528 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.8 tm-20 -60.69 -39.11 87.28 Favored 'General case' 0 C--N 1.303 -1.433 0 C-N-CA 118.994 -1.082 . . . . 0.0 110.032 -179.705 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 81.1 mt -60.68 -39.7 82.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 120.608 -1.308 . . . . 0.0 109.592 179.863 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 83.0 t -62.65 -39.54 85.07 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.55 0 O-C-N 121.261 -0.899 . . . . 0.0 108.676 -179.969 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . 0.44 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -60.29 -30.1 69.25 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.383 -0.823 . . . . 0.0 109.424 179.396 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 71.1 m -77.88 -28.27 49.91 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.565 -0.709 . . . . 0.0 109.589 -179.598 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 43.2 t -82.4 103.22 11.8 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.322 -0.861 . . . . 0.0 109.278 179.664 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -60.98 -28.29 68.91 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.318 -0.863 . . . . 0.0 110.054 -179.899 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 82.8 mttt -71.38 -40.34 70.63 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.167 -0.958 . . . . 0.0 110.678 -178.008 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 63.8 m -83.33 -29.03 28.62 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 120.797 -1.189 . . . . 0.0 109.275 -179.786 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . 0.472 ' OE1' ' NE2' ' A' ' 44' ' ' GLN . 6.9 tt0 -75.0 -70.31 0.42 Allowed 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.179 -0.95 . . . . 0.0 109.51 179.821 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 53.6 mt -81.32 109.47 15.86 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 179.43 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 59.5 tttm -87.59 -8.15 56.63 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.156 -0.965 . . . . 0.0 109.887 -179.2 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.46 -5.53 60.62 Favored Glycine 0 N--CA 1.497 2.736 0 N-CA-C 109.431 -1.468 . . . . 0.0 109.431 179.956 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -60.98 -33.9 73.95 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.066 -1.255 . . . . 0.0 108.88 179.555 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.15 -16.1 61.98 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.59 -0.694 . . . . 0.0 110.089 -179.347 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 50' ' ' MET . . . . . 0.452 ' O ' ' O ' ' B' ' 51' ' ' HIS . 56.7 ttm -85.19 132.73 34.24 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.109 -0.995 . . . . 0.0 109.728 -179.87 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 51' ' ' HIS . . . . . 0.452 ' O ' ' O ' ' B' ' 50' ' ' MET . 58.3 t-80 55.64 163.83 0.02 OUTLIER 'General case' 0 C--N 1.303 -1.425 0 CA-C-O 121.526 0.679 . . . . 0.0 109.604 -179.422 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 166.56 54.94 0.03 OUTLIER Glycine 0 N--CA 1.489 2.2 0 N-CA-C 109.078 -1.609 . . . . 0.0 109.078 -179.549 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . 0.406 ' H ' ' CE1' ' B' ' 51' ' ' HIS . 73.2 mt-30 57.82 31.25 20.24 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.682 -0.893 . . . . 0.0 109.824 -179.792 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 1.5 t 49.45 -149.21 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.23 -0.919 . . . . 0.0 108.691 179.704 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 . . . . . 0 C--N 1.301 -1.51 0 CA-C-O 117.839 -1.076 . . . . 0.0 109.264 179.608 . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 43.6 m-85 . . . . . 0 N--CA 1.494 1.745 0 CA-C-O 121.562 0.696 . . . . 0.0 109.926 . . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 41.7 mt -69.37 -30.24 68.2 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.366 -0.834 . . . . 0.0 111.221 -178.459 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 57.1 t0 -61.67 -51.14 69.67 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.723 -1.236 . . . . 0.0 110.729 -179.257 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.97 -44.47 45.98 Favored Glycine 0 N--CA 1.492 2.426 0 N-CA-C 109.78 -1.328 . . . . 0.0 109.78 -179.562 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.476 ' O ' ' N ' ' A' ' 9' ' ' GLN . 84.7 mt -58.07 -39.68 73.66 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.497 0 O-C-N 121.516 -0.99 . . . . 0.0 109.557 -179.801 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -56.42 -46.54 80.17 Favored 'General case' 0 C--N 1.302 -1.466 0 C-N-CA 119.161 -1.016 . . . . 0.0 108.891 -179.685 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 63.4 mttm -69.19 -40.3 78.14 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 120.979 -1.075 . . . . 0.0 108.622 178.479 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.46 -37.18 84.58 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.309 -0.87 . . . . 0.0 109.571 179.47 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.476 ' N ' ' O ' ' A' ' 5' ' ' ILE . 56.6 tt0 -57.3 -40.09 77.12 Favored 'General case' 0 N--CA 1.486 1.37 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 -178.844 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 19.5 tp10 -60.62 -43.79 97.08 Favored 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 178.682 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.7 tm-20 -60.56 -41.49 94.69 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.361 -0.837 . . . . 0.0 108.849 178.875 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.529 ' O ' ' N ' ' A' ' 16' ' ' HIS . 13.8 t60 -61.54 -47.0 87.54 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.215 -0.928 . . . . 0.0 109.954 179.482 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.8 tp10 -60.83 -42.67 98.22 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.222 -0.924 . . . . 0.0 110.363 -179.196 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -62.63 -30.74 71.59 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.509 -0.744 . . . . 0.0 112.913 -178.207 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -140.81 -3.78 1.25 Allowed 'General case' 0 N--CA 1.509 2.487 0 O-C-N 120.755 -1.216 . . . . 0.0 112.453 -176.946 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.529 ' N ' ' O ' ' A' ' 12' ' ' HIS . 89.2 m-70 53.83 46.8 25.0 Favored 'General case' 0 N--CA 1.497 1.916 0 N-CA-C 107.359 -1.349 . . . . 0.0 107.359 -177.464 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 88.6 p -67.36 156.03 37.48 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.286 -0.884 . . . . 0.0 110.607 -178.197 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -71.72 154.29 41.45 Favored 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 179.872 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 47.2 p-90 -55.03 -31.41 61.07 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.182 -0.949 . . . . 0.0 110.384 -179.065 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 75.4 mtm180 -62.58 -40.1 95.8 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 120.9 -1.125 . . . . 0.0 109.802 -179.965 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.36 -47.7 63.52 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.329 -0.857 . . . . 0.0 109.476 -179.251 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 77.8 mtm -60.93 -39.67 90.3 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.17 -0.956 . . . . 0.0 109.469 179.545 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.491 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -57.67 -47.74 81.44 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.431 -0.793 . . . . 0.0 109.5 -179.631 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 33.2 t -70.26 -36.86 74.71 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.176 -0.953 . . . . 0.0 110.455 179.955 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -60.32 -39.83 88.42 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.211 -0.931 . . . . 0.0 110.532 -179.01 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -111.3 -1.74 15.93 Favored 'General case' 0 N--CA 1.505 2.288 0 O-C-N 121.362 -0.836 . . . . 0.0 109.817 -179.581 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.491 ' N ' ' O ' ' A' ' 23' ' ' ALA . 59.1 t30 58.54 49.92 9.88 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.136 -0.978 . . . . 0.0 110.594 179.884 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 81.4 mt -115.1 151.81 46.04 Favored Pre-proline 0 N--CA 1.507 2.386 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 179.374 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_endo -60.75 153.27 63.62 Favored 'Trans proline' 0 N--CA 1.496 1.639 0 C-N-CA 121.603 1.535 . . . . 0.0 111.38 -179.82 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.462 ' O ' ' N ' ' A' ' 34' ' ' LYS . 39.1 Cg_exo -45.3 -35.12 11.02 Favored 'Trans proline' 0 C--N 1.311 -1.447 0 C-N-CA 122.037 1.824 . . . . 0.0 112.042 179.579 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 70.4 t -54.13 -50.01 57.96 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.742 0 O-C-N 121.43 -0.794 . . . . 0.0 110.24 -178.225 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 62.2 t -67.01 -48.87 78.15 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.791 0 C-N-CA 118.594 -1.242 . . . . 0.0 109.092 -179.291 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.99 -45.21 86.57 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.295 -0.878 . . . . 0.0 110.646 -179.794 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' A' ' 30' ' ' PRO . 50.6 mtpt -61.77 -37.43 84.29 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.04 -1.038 . . . . 0.0 110.253 -179.911 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -61.44 -37.96 85.43 Favored 'General case' 0 N--CA 1.484 1.239 0 O-C-N 120.83 -1.169 . . . . 0.0 110.147 -178.647 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 43.6 mt -59.68 -39.67 80.24 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.387 0 C-N-CA 118.472 -1.291 . . . . 0.0 107.588 179.606 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 69.4 t -62.42 -39.49 84.5 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.403 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 178.678 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.75 -35.75 75.22 Favored 'General case' 0 C--N 1.305 -1.327 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 179.545 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 23.1 m -74.36 -33.63 63.15 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 121.435 -0.791 . . . . 0.0 109.661 -179.999 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 35.6 t -80.97 101.88 9.79 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.343 -0.848 . . . . 0.0 109.655 -179.441 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 -60.84 -28.57 68.92 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.451 -0.781 . . . . 0.0 110.526 -179.669 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 89.4 mttt -69.86 -40.42 75.78 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.545 -1.347 . . . . 0.0 110.205 -179.146 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 69.4 m -84.34 -23.17 30.32 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.093 -1.005 . . . . 0.0 109.377 179.76 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.577 ' NE2' ' OE1' ' B' ' 44' ' ' GLN . 56.4 tt0 -78.23 -73.89 0.3 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.065 -1.022 . . . . 0.0 108.688 -179.87 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 40.1 mt -83.24 113.53 20.74 Favored 'General case' 0 N--CA 1.493 1.705 0 N-CA-C 107.649 -1.241 . . . . 0.0 107.649 178.831 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 20.4 ttpt -88.07 -0.05 56.57 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.927 -1.108 . . . . 0.0 109.465 -179.06 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 95.59 25.19 14.0 Favored Glycine 0 N--CA 1.496 2.672 0 N-CA-C 109.325 -1.51 . . . . 0.0 109.325 -179.926 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -74.2 2.29 9.4 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.417 -1.049 . . . . 0.0 109.014 179.746 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -71.8 131.21 42.76 Favored 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 179.854 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.468 ' O ' ' O ' ' B' ' 50' ' ' MET . 2.5 mpt? -69.37 149.36 48.48 Favored 'General case' 0 C--N 1.298 -1.645 0 O-C-N 121.374 -0.829 . . . . 0.0 109.483 -179.867 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 70.9 t60 -166.0 150.8 8.3 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 120.986 -1.071 . . . . 0.0 108.878 179.392 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 142.87 148.92 5.03 Favored Glycine 0 N--CA 1.5 2.966 0 N-CA-C 110.32 -1.112 . . . . 0.0 110.32 179.459 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.424 ' O ' ' O ' ' A' ' 54' ' ' VAL . 90.7 mm-40 -103.39 11.22 36.83 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.673 -0.898 . . . . 0.0 108.769 179.399 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.424 ' O ' ' O ' ' A' ' 53' ' ' GLN . 3.3 t 59.27 154.14 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.853 0 O-C-N 121.466 -0.771 . . . . 0.0 109.065 -179.724 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 . . . . . 0 N--CA 1.49 1.544 0 O-C-N 120.869 -1.144 . . . . 0.0 109.473 -179.438 . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 42.4 m-85 . . . . . 0 N--CA 1.491 1.608 0 CA-C-O 121.482 0.658 . . . . 0.0 109.869 . . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 47.0 mt -69.23 -31.54 70.18 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.061 -1.024 . . . . 0.0 111.048 -178.264 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -60.94 -51.13 70.59 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 120.856 -1.153 . . . . 0.0 110.95 -178.699 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.36 -43.38 46.16 Favored Glycine 0 N--CA 1.492 2.414 0 N-CA-C 109.553 -1.419 . . . . 0.0 109.553 -179.372 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . 0.44 ' O ' ' N ' ' B' ' 9' ' ' GLN . 86.2 mt -59.02 -39.67 78.89 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.705 0 O-C-N 121.396 -1.061 . . . . 0.0 109.802 179.987 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -56.81 -45.75 82.05 Favored 'General case' 0 C--N 1.302 -1.458 0 C-N-CA 119.263 -0.975 . . . . 0.0 108.573 -179.583 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 64.6 mttm -69.71 -40.35 76.33 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 120.899 -1.126 . . . . 0.0 108.792 178.362 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.46 -36.96 84.07 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.276 -0.89 . . . . 0.0 109.537 179.444 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . 0.44 ' N ' ' O ' ' B' ' 5' ' ' ILE . 54.5 tt0 -57.32 -40.4 77.83 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.229 -0.919 . . . . 0.0 108.691 -179.178 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 19.4 tp10 -60.35 -43.29 96.62 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 178.875 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 13.1 tm-20 -60.75 -42.01 96.57 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.182 -0.949 . . . . 0.0 108.953 179.006 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . 0.522 ' O ' ' N ' ' B' ' 16' ' ' HIS . 13.5 t60 -61.57 -46.64 89.0 Favored 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 119.689 -0.805 . . . . 0.0 110.085 179.814 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 42.4 tp10 -60.47 -42.07 95.48 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.044 -1.035 . . . . 0.0 110.404 -179.492 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 25.7 mtpp -63.65 -30.68 71.76 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.572 -0.705 . . . . 0.0 112.854 -178.379 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -140.84 -3.73 1.25 Allowed 'General case' 0 N--CA 1.507 2.386 0 O-C-N 120.496 -1.378 . . . . 0.0 112.78 -177.08 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.522 ' N ' ' O ' ' B' ' 12' ' ' HIS . 91.0 m-70 53.34 47.15 24.86 Favored 'General case' 0 N--CA 1.498 1.933 0 N-CA-C 107.29 -1.374 . . . . 0.0 107.29 -177.533 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 84.4 p -67.34 155.64 38.42 Favored 'General case' 0 C--N 1.3 -1.55 0 C-N-CA 119.771 -0.772 . . . . 0.0 110.201 -178.37 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -71.94 155.65 40.13 Favored 'General case' 0 N--CA 1.489 1.475 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 179.95 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 44.6 p-90 -55.41 -31.34 61.78 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.177 -0.952 . . . . 0.0 110.48 -179.078 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 76.3 mtm180 -62.61 -40.2 96.19 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 120.888 -1.132 . . . . 0.0 109.991 -179.97 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.94 -47.99 64.34 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.19 -0.944 . . . . 0.0 109.853 -179.175 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 78.9 mtm -60.51 -39.7 88.74 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.231 -0.918 . . . . 0.0 109.289 179.671 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . 0.483 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -57.41 -47.43 81.75 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 119.654 -0.818 . . . . 0.0 109.528 -179.602 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 34.0 t -70.18 -38.39 75.38 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.263 -0.898 . . . . 0.0 110.754 -179.847 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -59.95 -39.82 86.86 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.246 -0.909 . . . . 0.0 110.588 -178.76 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -110.48 -2.38 16.56 Favored 'General case' 0 N--CA 1.501 2.075 0 O-C-N 121.457 -0.777 . . . . 0.0 109.992 -179.686 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . 0.483 ' N ' ' O ' ' B' ' 23' ' ' ALA . 53.8 t30 58.85 50.0 9.14 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.294 -0.879 . . . . 0.0 110.548 179.603 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 83.9 mt -115.51 151.25 45.87 Favored Pre-proline 0 N--CA 1.504 2.239 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 179.142 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -60.14 154.47 51.47 Favored 'Trans proline' 0 N--CA 1.492 1.427 0 C-N-CA 121.461 1.44 . . . . 0.0 111.116 -179.854 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -46.04 -36.23 15.8 Favored 'Trans proline' 0 N--CA 1.491 1.339 0 C-N-CA 121.998 1.798 . . . . 0.0 112.107 179.608 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 76.4 t -52.74 -49.75 45.1 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.67 0 O-C-N 121.412 -0.805 . . . . 0.0 110.544 -178.414 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 61.6 t -67.85 -48.01 77.13 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.759 0 C-N-CA 118.705 -1.198 . . . . 0.0 109.387 -179.082 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.67 -45.41 83.0 Favored 'General case' 0 C--N 1.301 -1.536 0 C-N-CA 119.692 -0.803 . . . . 0.0 110.124 -179.767 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 51.6 mtpt -60.67 -38.55 85.28 Favored 'General case' 0 N--CA 1.486 1.369 0 O-C-N 120.987 -1.071 . . . . 0.0 110.237 179.822 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 14.6 tm-20 -60.8 -38.14 84.36 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.019 -1.05 . . . . 0.0 110.132 -178.45 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 47.8 mt -59.76 -39.9 81.05 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.406 0 O-C-N 120.655 -1.278 . . . . 0.0 107.624 179.828 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 72.8 t -62.42 -39.61 84.96 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 178.631 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . 0.478 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -59.41 -35.45 74.0 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 179.366 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 21.5 m -75.69 -32.05 59.95 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.224 -0.923 . . . . 0.0 109.997 -179.881 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 38.8 t -81.62 101.12 9.81 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.309 -0.869 . . . . 0.0 109.635 -179.421 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -60.4 -29.3 68.87 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.275 -0.891 . . . . 0.0 110.515 -179.476 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 88.8 mttt -68.81 -40.83 79.33 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.588 -1.32 . . . . 0.0 110.062 -178.897 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 87.7 m -84.12 -24.54 30.23 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 120.781 -1.199 . . . . 0.0 109.766 179.607 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . 0.577 ' OE1' ' NE2' ' A' ' 44' ' ' GLN . 7.0 tt0 -76.78 -72.15 0.36 Allowed 'General case' 0 N--CA 1.488 1.455 0 O-C-N 120.863 -1.148 . . . . 0.0 108.89 -179.885 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 39.6 mt -84.12 113.43 21.05 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 107.612 -1.255 . . . . 0.0 107.612 178.717 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 19.9 ttpt -87.83 -0.37 56.86 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.91 -1.119 . . . . 0.0 109.525 -178.896 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . 0.407 ' C ' ' H ' ' B' ' 49' ' ' ALA . . . 97.47 21.53 19.28 Favored Glycine 0 N--CA 1.495 2.582 0 N-CA-C 109.38 -1.488 . . . . 0.0 109.38 -179.807 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 22.0 pt-20 -70.66 3.23 3.29 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.516 -0.991 . . . . 0.0 109.359 -179.949 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . 0.407 ' H ' ' C ' ' B' ' 47' ' ' GLY . . . -72.86 130.32 40.15 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.304 -0.872 . . . . 0.0 109.524 179.816 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 50' ' ' MET . . . . . 0.468 ' O ' ' O ' ' A' ' 50' ' ' MET . 2.6 mpt? -68.8 149.91 48.44 Favored 'General case' 0 N--CA 1.486 1.341 0 O-C-N 121.475 -0.766 . . . . 0.0 109.217 -179.955 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 72.8 t60 -166.79 150.58 6.98 Favored 'General case' 0 C--N 1.298 -1.661 0 O-C-N 121.144 -0.973 . . . . 0.0 108.924 179.427 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 141.93 145.54 4.53 Favored Glycine 0 N--CA 1.499 2.842 0 C-N-CA 119.845 -1.169 . . . . 0.0 110.188 179.533 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . 0.429 ' O ' ' O ' ' B' ' 54' ' ' VAL . 89.3 mm-40 -100.59 11.56 39.23 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.446 -1.032 . . . . 0.0 108.837 179.738 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.429 ' O ' ' O ' ' B' ' 53' ' ' GLN . 3.0 t 59.07 154.39 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.301 -1.51 0 CA-C-O 121.552 0.692 . . . . 0.0 109.247 -179.589 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 84.0 m-20 . . . . . 0 C--N 1.302 -1.499 0 O-C-N 120.892 -1.13 . . . . 0.0 109.598 -179.516 . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 . . . . . 0 N--CA 1.49 1.562 0 CA-C-O 121.535 0.683 . . . . 0.0 109.587 . . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 20.0 mt -67.95 -32.2 72.48 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.691 -0.63 . . . . 0.0 111.553 -178.045 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 58.9 t0 -65.16 -55.39 18.9 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.828 -1.17 . . . . 0.0 110.975 -178.609 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.39 -42.51 97.64 Favored Glycine 0 N--CA 1.488 2.145 0 N-CA-C 109.531 -1.427 . . . . 0.0 109.531 -179.623 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 81.2 mt -59.86 -40.0 81.52 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.536 0 O-C-N 121.499 -1.0 . . . . 0.0 110.201 -179.882 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -54.8 -46.79 74.54 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 120.618 -1.301 . . . . 0.0 108.941 -179.375 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 50.8 mttp -69.58 -40.73 76.55 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.06 -1.025 . . . . 0.0 108.869 179.225 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.98 -35.4 78.28 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.313 -0.867 . . . . 0.0 109.453 -179.872 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -58.16 -41.22 83.33 Favored 'General case' 0 C--N 1.305 -1.353 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 -179.677 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -61.9 -40.82 96.77 Favored 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 119.659 -0.816 . . . . 0.0 109.192 179.269 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.546 ' CD ' ' HG ' ' A' ' 17' ' ' SER . 12.1 tm-20 -60.43 -40.37 90.84 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.094 -1.004 . . . . 0.0 108.635 179.284 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.536 ' O ' ' N ' ' A' ' 16' ' ' HIS . 14.9 t60 -62.68 -46.09 89.76 Favored 'General case' 0 C--N 1.305 -1.327 0 O-C-N 121.238 -0.913 . . . . 0.0 110.322 179.903 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -60.38 -44.42 95.67 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.082 -1.011 . . . . 0.0 110.369 -179.083 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.0 mtpp -61.93 -31.08 71.37 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.274 -0.891 . . . . 0.0 113.111 -178.452 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 33.7 m-85 -139.11 -5.27 1.47 Allowed 'General case' 0 N--CA 1.506 2.345 0 O-C-N 120.647 -1.283 . . . . 0.0 112.687 -176.502 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.536 ' N ' ' O ' ' A' ' 12' ' ' HIS . 91.0 m-70 54.25 41.91 31.76 Favored 'General case' 0 N--CA 1.495 1.799 0 N-CA-C 107.317 -1.364 . . . . 0.0 107.317 -177.676 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.546 ' HG ' ' CD ' ' A' ' 11' ' ' GLU . 80.2 p -64.44 153.51 38.53 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.6 -0.688 . . . . 0.0 110.104 -178.509 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -71.32 157.84 37.39 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.462 -0.773 . . . . 0.0 109.186 179.602 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 48.6 p-90 -56.67 -32.16 65.14 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.407 -0.808 . . . . 0.0 110.606 -179.265 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -60.97 -40.16 92.32 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 120.955 -1.091 . . . . 0.0 109.179 -179.944 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.59 -48.76 63.35 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.595 -0.691 . . . . 0.0 109.159 -179.917 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 78.6 mtm -61.59 -40.74 95.88 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.165 -0.959 . . . . 0.0 109.005 179.411 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.497 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -57.86 -47.31 83.09 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.229 -0.919 . . . . 0.0 109.069 179.661 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 43.7 m -70.32 -34.71 73.03 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.273 -0.892 . . . . 0.0 110.199 179.984 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -61.55 -42.15 98.41 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.008 -1.057 . . . . 0.0 110.038 -179.038 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -109.54 1.32 19.66 Favored 'General case' 0 N--CA 1.501 2.08 0 O-C-N 121.5 -0.75 . . . . 0.0 110.229 -179.416 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.497 ' N ' ' O ' ' A' ' 23' ' ' ALA . 64.1 m-20 54.72 51.1 14.41 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.422 -0.799 . . . . 0.0 109.684 179.804 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 85.3 mt -115.37 153.01 47.53 Favored Pre-proline 0 N--CA 1.503 2.178 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 179.833 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_endo -61.57 144.04 97.42 Favored 'Trans proline' 0 N--CA 1.496 1.634 0 C-N-CA 121.97 1.78 . . . . 0.0 111.715 -179.896 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.453 ' O ' ' N ' ' A' ' 34' ' ' LYS . 32.1 Cg_exo -39.69 -34.74 0.83 Allowed 'Trans proline' 0 N--CA 1.487 1.137 0 C-N-CA 122.281 1.987 . . . . 0.0 112.23 -179.417 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 89.0 t -54.87 -49.68 67.94 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.804 0 O-C-N 121.345 -0.847 . . . . 0.0 110.257 -178.599 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 61.7 t -66.83 -48.38 79.98 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.009 0 C-N-CA 118.421 -1.311 . . . . 0.0 109.539 -178.939 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.4 -44.67 82.38 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.391 -0.818 . . . . 0.0 109.665 -179.673 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.48 ' CB ' ' HZ1' ' A' ' 34' ' ' LYS . 0.9 OUTLIER -60.17 -38.0 81.89 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.931 -1.106 . . . . 0.0 109.797 -179.942 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.4 tm-20 -60.07 -39.74 87.1 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.195 -0.94 . . . . 0.0 110.452 -178.911 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 53.1 mt -59.72 -39.58 80.09 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 120.882 -1.136 . . . . 0.0 108.657 179.993 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 62.8 t -62.43 -39.41 84.23 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.706 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 179.078 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.88 -32.14 71.59 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.522 -0.736 . . . . 0.0 109.994 179.448 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.0 m -78.49 -26.4 45.99 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.935 -1.103 . . . . 0.0 109.747 -179.705 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 41.2 t -81.26 103.29 10.94 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.137 -0.977 . . . . 0.0 109.067 -179.912 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -60.36 -31.2 70.1 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.315 -0.866 . . . . 0.0 110.016 -179.745 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -69.56 -40.17 76.95 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.028 -1.045 . . . . 0.0 111.233 -178.587 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 67.9 m -84.6 -26.38 27.95 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 120.771 -1.206 . . . . 0.0 109.493 179.97 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -73.95 -71.86 0.3 Allowed 'General case' 0 N--CA 1.486 1.341 0 N-CA-C 107.553 -1.277 . . . . 0.0 107.553 179.387 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 51.1 mt -83.86 107.23 16.13 Favored 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 107.051 -1.463 . . . . 0.0 107.051 178.046 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -87.81 2.52 51.14 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.032 -1.042 . . . . 0.0 109.262 -179.345 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.56 -4.92 69.91 Favored Glycine 0 N--CA 1.492 2.4 0 N-CA-C 109.732 -1.347 . . . . 0.0 109.732 179.717 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 -72.0 -12.03 61.04 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.118 -1.225 . . . . 0.0 108.81 179.628 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.427 ' O ' ' O ' ' B' ' 49' ' ' ALA . . . -89.56 -12.84 38.7 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.226 -0.921 . . . . 0.0 109.456 178.991 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 86.4 mmm -85.19 143.16 28.95 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.148 -0.97 . . . . 0.0 109.375 -179.923 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.413 ' O ' ' ND1' ' A' ' 51' ' ' HIS . 55.6 t-80 57.4 46.0 18.95 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.389 -0.819 . . . . 0.0 109.684 -179.88 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -69.05 131.24 25.21 Favored Glycine 0 N--CA 1.489 2.222 0 N-CA-C 108.7 -1.76 . . . . 0.0 108.7 179.6 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.423 ' O ' ' O ' ' A' ' 54' ' ' VAL . 87.8 mt-30 49.41 -153.18 0.13 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.092 -1.24 . . . . 0.0 108.942 -179.87 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.423 ' O ' ' O ' ' A' ' 53' ' ' GLN . 4.3 t 56.78 164.7 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.314 -0.866 . . . . 0.0 109.473 179.447 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 58.1 t0 . . . . . 0 N--CA 1.493 1.684 0 CA-C-O 117.875 -1.06 . . . . 0.0 109.72 -179.884 . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 41.8 m-85 . . . . . 0 N--CA 1.494 1.727 0 CA-C-O 121.444 0.64 . . . . 0.0 110.044 . . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 19.7 mt -67.98 -33.15 74.1 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.688 -0.632 . . . . 0.0 111.487 -178.003 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 58.4 t0 -64.16 -55.05 24.55 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.776 -1.202 . . . . 0.0 111.237 -178.865 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.56 -43.03 97.13 Favored Glycine 0 N--CA 1.492 2.387 0 N-CA-C 109.429 -1.469 . . . . 0.0 109.429 -179.685 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . 0.401 ' O ' ' N ' ' B' ' 9' ' ' GLN . 83.5 mt -59.52 -38.78 77.07 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.701 -0.882 . . . . 0.0 110.726 -179.959 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -56.19 -47.21 78.77 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 120.875 -1.141 . . . . 0.0 108.682 -179.286 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 50.2 mttp -69.06 -40.13 78.69 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.27 -0.894 . . . . 0.0 109.105 179.459 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.34 -35.38 77.68 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.612 -0.68 . . . . 0.0 109.32 179.733 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . 0.401 ' N ' ' O ' ' B' ' 5' ' ' ILE . 59.6 tt0 -58.47 -41.66 85.72 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.227 -0.92 . . . . 0.0 108.632 -179.786 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -60.98 -41.22 96.02 Favored 'General case' 0 N--CA 1.49 1.559 0 C-N-CA 119.405 -0.918 . . . . 0.0 109.292 179.021 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . 0.524 ' CD ' ' HG ' ' B' ' 17' ' ' SER . 11.9 tm-20 -60.19 -40.02 88.56 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.063 -1.023 . . . . 0.0 108.582 179.708 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . 0.571 ' O ' ' N ' ' B' ' 16' ' ' HIS . 15.3 t60 -63.26 -45.63 90.59 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.333 -0.854 . . . . 0.0 110.267 -179.989 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -61.1 -44.72 96.92 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 120.929 -1.107 . . . . 0.0 110.389 -178.995 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 23.5 mtpp -61.32 -32.51 72.37 Favored 'General case' 0 N--CA 1.491 1.588 0 N-CA-C 112.937 0.717 . . . . 0.0 112.937 -178.744 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -137.72 -5.05 1.76 Allowed 'General case' 0 N--CA 1.505 2.319 0 O-C-N 120.592 -1.318 . . . . 0.0 112.826 -176.833 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.571 ' N ' ' O ' ' B' ' 12' ' ' HIS . 91.8 m-70 53.84 43.28 31.17 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.494 -1.379 . . . . 0.0 107.307 -177.613 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 17' ' ' SER . . . . . 0.524 ' HG ' ' CD ' ' B' ' 11' ' ' GLU . 79.7 p -65.77 154.37 39.25 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.689 -0.632 . . . . 0.0 110.306 -178.846 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 83.8 m-20 -71.74 157.98 36.95 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.3 -0.875 . . . . 0.0 109.035 179.318 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 48.3 p-90 -57.12 -31.63 65.5 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.516 -0.74 . . . . 0.0 110.705 -179.279 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -61.29 -39.92 92.21 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.853 -1.155 . . . . 0.0 108.989 179.669 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.41 -49.58 58.98 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.41 -0.806 . . . . 0.0 109.005 179.771 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 79.3 mtm -60.72 -40.56 92.78 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.974 -1.079 . . . . 0.0 109.086 179.369 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . 0.461 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -57.81 -47.3 83.01 Favored 'General case' 0 C--N 1.303 -1.432 0 C-N-CA 119.465 -0.894 . . . . 0.0 109.308 179.882 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 42.0 m -70.26 -35.63 73.91 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.303 -0.873 . . . . 0.0 110.241 -179.937 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 66.8 t0 -60.69 -42.24 96.76 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.031 -1.043 . . . . 0.0 110.446 -178.791 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -109.46 1.28 19.75 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 121.313 -0.867 . . . . 0.0 110.142 -179.584 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . 0.461 ' N ' ' O ' ' B' ' 23' ' ' ALA . 66.5 m-20 55.22 49.88 16.28 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.347 -0.846 . . . . 0.0 109.677 179.985 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 77.0 mt -114.06 152.5 45.85 Favored Pre-proline 0 N--CA 1.502 2.128 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 179.767 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_endo -61.3 144.97 98.84 Favored 'Trans proline' 0 N--CA 1.497 1.734 0 C-N-CA 121.937 1.758 . . . . 0.0 111.769 -179.898 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . 0.446 ' O ' ' N ' ' B' ' 34' ' ' LYS . 38.4 Cg_exo -40.17 -34.5 1.03 Allowed 'Trans proline' 0 N--CA 1.491 1.359 0 C-N-CA 122.302 2.002 . . . . 0.0 112.473 -179.364 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 87.1 t -55.75 -49.81 71.99 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.639 0 O-C-N 121.36 -0.837 . . . . 0.0 110.325 -178.508 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 57.1 t -66.28 -47.79 83.2 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.915 0 C-N-CA 118.56 -1.256 . . . . 0.0 109.538 -179.194 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.97 -44.77 79.65 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.477 -0.764 . . . . 0.0 110.211 -179.801 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' B' ' 30' ' ' PRO . 1.1 mmmp? -60.06 -37.12 78.94 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.032 -1.043 . . . . 0.0 109.735 179.876 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.2 tm-20 -61.08 -39.87 91.55 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.064 -1.023 . . . . 0.0 110.353 -178.883 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 54.4 mt -59.65 -39.69 80.24 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 121.109 -0.994 . . . . 0.0 108.376 -179.834 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 60.2 t -62.65 -39.44 84.68 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 179.372 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . 0.522 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -60.63 -31.84 71.02 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.657 -0.652 . . . . 0.0 110.121 179.195 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 38.0 m -78.73 -26.32 44.68 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.011 -1.056 . . . . 0.0 109.703 -179.593 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 41.5 t -81.38 103.57 11.23 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.426 -0.796 . . . . 0.0 109.503 -179.982 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -60.15 -31.26 69.93 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.3 -0.875 . . . . 0.0 110.289 -179.91 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -69.92 -40.89 75.29 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.894 -1.129 . . . . 0.0 111.187 -178.684 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 70.6 m -84.01 -25.67 29.77 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 120.827 -1.171 . . . . 0.0 109.792 179.959 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . 0.522 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 14.9 tt0 -74.65 -73.32 0.24 Allowed 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 107.436 -1.32 . . . . 0.0 107.436 179.26 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 42.6 mt -83.02 107.54 15.69 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 107.161 -1.422 . . . . 0.0 107.161 177.736 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -87.69 0.31 55.87 Favored 'General case' 0 C--N 1.298 -1.663 0 O-C-N 121.238 -0.914 . . . . 0.0 109.478 -179.474 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.79 -4.39 63.4 Favored Glycine 0 N--CA 1.488 2.152 0 N-CA-C 109.629 -1.388 . . . . 0.0 109.629 179.591 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -72.48 -13.07 61.34 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.924 -1.339 . . . . 0.0 108.752 179.27 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . 0.427 ' O ' ' O ' ' A' ' 49' ' ' ALA . . . -89.43 -12.14 41.09 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.466 -0.771 . . . . 0.0 109.545 179.509 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 88.7 mmm -86.0 143.86 27.9 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 120.999 -1.063 . . . . 0.0 108.82 -179.76 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 51' ' ' HIS . . . . . 0.414 ' ND1' ' O ' ' B' ' 51' ' ' HIS . 56.3 t-80 57.14 46.3 19.22 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.21 -0.931 . . . . 0.0 109.658 -179.788 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -68.85 132.08 26.24 Favored Glycine 0 N--CA 1.488 2.126 0 N-CA-C 108.699 -1.76 . . . . 0.0 108.699 179.349 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . 0.428 ' O ' ' O ' ' B' ' 54' ' ' VAL . 87.4 mt-30 48.26 -153.27 0.1 Allowed 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.962 -1.316 . . . . 0.0 109.108 -179.927 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.428 ' O ' ' O ' ' B' ' 53' ' ' GLN . 3.9 t 56.89 165.25 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 O-C-N 120.963 -1.085 . . . . 0.0 109.439 179.523 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . 0.4 ' C ' ' HE2' ' B' ' 51' ' ' HIS . 59.6 t0 . . . . . 0 N--CA 1.495 1.824 0 O-C-N 121.115 -0.991 . . . . 0.0 109.705 -179.737 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 . . . . . 0 N--CA 1.492 1.652 0 CA-C-O 121.841 0.829 . . . . 0.0 109.858 . . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 20.0 mt -69.04 -31.85 70.93 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.572 -0.705 . . . . 0.0 111.155 -177.742 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.506 ' OD1' ' N ' ' A' ' 3' ' ' ASP . 22.0 p-10 -65.82 -57.71 7.31 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.771 -1.205 . . . . 0.0 111.169 -178.759 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.416 ' H ' ' CG ' ' A' ' 3' ' ' ASP . . . -59.8 -41.74 97.75 Favored Glycine 0 N--CA 1.491 2.313 0 N-CA-C 110.398 -1.081 . . . . 0.0 110.398 -179.089 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 93.4 mt -60.08 -40.42 83.23 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.799 0 O-C-N 120.939 -1.33 . . . . 0.0 110.409 -179.721 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 61.8 t0 -54.93 -45.87 74.87 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 120.773 -1.205 . . . . 0.0 109.33 -179.135 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 48.1 mtmt -70.1 -41.51 73.94 Favored 'General case' 0 N--CA 1.488 1.455 0 C-N-CA 118.978 -1.089 . . . . 0.0 109.358 179.412 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.98 -36.69 80.45 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.514 -0.742 . . . . 0.0 109.277 179.662 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -57.3 -40.08 77.08 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.345 -0.847 . . . . 0.0 109.777 -179.588 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -63.43 -44.21 95.21 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.093 -1.004 . . . . 0.0 109.32 179.401 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 23.9 tp10 -59.91 -39.94 87.12 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.177 -0.952 . . . . 0.0 108.9 179.288 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.547 ' O ' ' N ' ' A' ' 16' ' ' HIS . 13.0 t60 -60.54 -47.28 86.87 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.218 -0.926 . . . . 0.0 109.897 179.4 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -60.7 -40.38 92.02 Favored 'General case' 0 C--N 1.298 -1.647 0 O-C-N 121.383 -0.823 . . . . 0.0 109.958 -179.21 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -64.03 -30.3 71.38 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.147 -0.971 . . . . 0.0 113.066 -179.089 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -140.59 -7.31 1.13 Allowed 'General case' 0 N--CA 1.506 2.362 0 O-C-N 120.572 -1.33 . . . . 0.0 112.62 -176.999 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.547 ' N ' ' O ' ' A' ' 12' ' ' HIS . 90.3 m-70 55.07 42.38 30.91 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 107.133 -1.432 . . . . 0.0 107.133 -177.559 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 92.1 p -66.52 157.64 31.7 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.652 -0.655 . . . . 0.0 110.476 -178.548 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -71.89 157.59 37.58 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.48 -0.762 . . . . 0.0 109.062 179.669 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 46.0 p-90 -56.42 -30.96 63.45 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.115 -0.991 . . . . 0.0 110.523 -179.563 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -61.37 -40.56 94.76 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.834 -1.166 . . . . 0.0 109.594 179.875 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.65 -48.12 64.82 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.264 -0.897 . . . . 0.0 109.218 -179.591 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 78.3 mtm -62.24 -40.58 96.65 Favored 'General case' 0 C--N 1.301 -1.51 0 C-N-CA 119.63 -0.828 . . . . 0.0 109.942 -179.82 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.504 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -58.69 -45.56 89.18 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.15 -0.969 . . . . 0.0 109.561 -179.628 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 25.5 t -70.2 -36.66 74.76 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.303 -0.873 . . . . 0.0 110.298 -179.637 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -60.36 -42.08 95.01 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.416 -0.802 . . . . 0.0 110.189 -178.893 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -108.87 1.07 20.58 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.528 -0.732 . . . . 0.0 110.31 -179.832 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.504 ' N ' ' O ' ' A' ' 23' ' ' ALA . 95.5 m-20 55.75 49.95 15.2 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.165 -0.959 . . . . 0.0 110.27 179.405 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 77.8 mt -116.11 150.62 45.48 Favored Pre-proline 0 N--CA 1.497 1.907 0 N-CA-C 107.609 -1.256 . . . . 0.0 107.609 179.4 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -60.52 152.97 64.35 Favored 'Trans proline' 0 C--N 1.307 -1.614 0 C-N-CA 121.411 1.407 . . . . 0.0 111.484 -179.667 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.45 ' O ' ' N ' ' A' ' 34' ' ' LYS . 31.5 Cg_exo -45.55 -37.51 15.25 Favored 'Trans proline' 0 C--N 1.31 -1.467 0 C-N-CA 121.923 1.749 . . . . 0.0 112.053 179.869 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 60.0 t -53.77 -49.27 58.83 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.792 0 O-C-N 120.837 -1.164 . . . . 0.0 110.685 -178.272 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 58.5 t -66.84 -48.74 78.9 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.768 0 C-N-CA 118.383 -1.327 . . . . 0.0 109.442 -178.581 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.61 -42.16 87.27 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.32 -0.863 . . . . 0.0 110.027 179.689 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 30' ' ' PRO . 10.0 mtpm? -62.27 -36.02 80.77 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 120.765 -1.209 . . . . 0.0 109.889 179.715 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.5 tm-20 -60.05 -38.63 83.36 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 121.255 -0.903 . . . . 0.0 109.385 -179.008 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 69.0 mt -59.84 -39.89 81.2 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 120.957 -1.089 . . . . 0.0 108.807 179.428 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 92.5 t -63.25 -40.03 87.49 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 178.944 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.04 -30.56 70.39 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.428 -0.795 . . . . 0.0 109.531 179.446 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 64.1 m -81.45 -24.04 37.09 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.181 -0.949 . . . . 0.0 109.692 -179.544 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 42.7 t -85.1 105.78 16.09 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.09 -1.006 . . . . 0.0 109.585 -179.872 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -62.32 -29.91 70.78 Favored 'General case' 0 C--N 1.301 -1.542 0 C-N-CA 120.072 -0.651 . . . . 0.0 109.882 179.907 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -70.45 -41.32 72.98 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.144 -0.973 . . . . 0.0 110.615 -178.922 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 85.0 m -87.24 -25.78 23.82 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 120.861 -1.149 . . . . 0.0 110.356 -179.986 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -72.61 -70.15 0.36 Allowed 'General case' 0 N--CA 1.498 1.974 0 O-C-N 120.995 -1.065 . . . . 0.0 109.089 -179.043 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 38.8 mt -81.31 107.47 14.12 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 179.578 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 52.2 tttp -90.26 -72.37 0.57 Allowed 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.24 -0.912 . . . . 0.0 109.463 -179.547 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -154.59 -125.31 0.97 Allowed Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.404 -1.479 . . . . 0.0 109.404 -179.705 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 54.33 29.07 10.22 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.642 -0.916 . . . . 0.0 109.352 -179.756 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.509 ' O ' ' ND1' ' A' ' 51' ' ' HIS . . . -84.99 139.55 31.71 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.297 -0.877 . . . . 0.0 109.52 179.787 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 53.9 mtt -64.93 139.97 58.82 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.48 -0.762 . . . . 0.0 109.237 179.934 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.509 ' ND1' ' O ' ' A' ' 49' ' ' ALA . 16.7 p-80 -170.4 104.19 0.28 Allowed 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.231 -0.918 . . . . 0.0 108.712 179.824 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -65.37 160.96 42.76 Favored Glycine 0 N--CA 1.489 2.214 0 N-CA-C 109.558 -1.417 . . . . 0.0 109.558 -179.423 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -84.83 13.84 5.44 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.171 -1.194 . . . . 0.0 108.468 179.854 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.445 HG11 ' H ' ' A' ' 55' ' ' ASP . 1.6 t 46.17 -149.75 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.769 0 O-C-N 121.522 -0.736 . . . . 0.0 109.375 179.831 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.445 ' H ' HG11 ' A' ' 54' ' ' VAL . 48.6 m-20 . . . . . 0 N--CA 1.483 1.187 0 CA-C-O 118.157 -0.925 . . . . 0.0 108.85 179.717 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 . . . . . 0 N--CA 1.492 1.633 0 CA-C-O 121.821 0.819 . . . . 0.0 109.853 . . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 20.3 mt -69.58 -31.06 68.99 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.475 -0.765 . . . . 0.0 110.737 -177.912 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . 0.52 ' OD1' ' N ' ' B' ' 3' ' ' ASP . 18.6 p-10 -65.21 -58.39 6.09 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.854 -1.154 . . . . 0.0 111.226 -178.921 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . 0.425 ' H ' ' CG ' ' B' ' 3' ' ' ASP . . . -59.88 -41.14 97.61 Favored Glycine 0 N--CA 1.499 2.871 0 N-CA-C 110.282 -1.127 . . . . 0.0 110.282 -178.626 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . 0.402 ' O ' ' N ' ' B' ' 9' ' ' GLN . 92.6 mt -60.71 -39.91 83.15 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 O-C-N 121.263 -1.139 . . . . 0.0 110.349 -179.627 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -55.85 -45.23 78.5 Favored 'General case' 0 C--N 1.298 -1.642 0 C-N-CA 118.933 -1.107 . . . . 0.0 108.999 -178.906 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 47.1 mtmt -69.92 -42.24 73.57 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.148 -0.97 . . . . 0.0 109.232 178.941 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.45 -37.32 82.77 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 121.354 -0.841 . . . . 0.0 109.605 -179.954 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . 0.402 ' N ' ' O ' ' B' ' 5' ' ' ILE . 55.4 tt0 -56.73 -41.99 78.44 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.516 -0.74 . . . . 0.0 109.678 -179.402 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -62.57 -42.81 99.78 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.124 -0.985 . . . . 0.0 108.988 179.554 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 28.1 tp10 -60.9 -40.03 91.54 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 120.897 -1.127 . . . . 0.0 108.619 178.934 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . 0.531 ' O ' ' N ' ' B' ' 16' ' ' HIS . 12.6 t60 -60.41 -47.36 86.44 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.235 -0.916 . . . . 0.0 109.858 179.806 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -60.26 -40.52 90.62 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.144 -0.973 . . . . 0.0 110.265 -179.717 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp -63.86 -30.44 71.53 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.331 -0.855 . . . . 0.0 112.746 -178.604 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -140.15 -8.94 1.16 Allowed 'General case' 0 N--CA 1.508 2.435 0 O-C-N 120.701 -1.249 . . . . 0.0 112.799 -177.109 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.531 ' N ' ' O ' ' B' ' 12' ' ' HIS . 90.3 m-70 55.77 43.35 27.95 Favored 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 107.175 -1.417 . . . . 0.0 107.175 -177.117 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 95.0 p -68.28 158.87 32.44 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.633 -0.667 . . . . 0.0 110.342 -178.618 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -73.0 157.93 36.45 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.378 -0.826 . . . . 0.0 109.43 179.886 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 43.4 p-90 -56.27 -30.1 62.0 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.338 -0.851 . . . . 0.0 110.653 -179.557 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -62.64 -40.13 96.05 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.067 -1.021 . . . . 0.0 109.665 -179.926 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.08 -48.88 61.57 Favored 'General case' 0 C--N 1.297 -1.702 0 O-C-N 121.516 -0.74 . . . . 0.0 109.151 179.965 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 78.0 mtm -61.61 -40.08 93.55 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.512 -0.743 . . . . 0.0 109.794 -179.943 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . 0.508 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -59.51 -45.47 91.64 Favored 'General case' 0 N--CA 1.49 1.566 0 C-N-CA 119.244 -0.982 . . . . 0.0 109.613 -179.649 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 32.8 t -69.94 -37.26 75.82 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.271 -0.893 . . . . 0.0 110.311 179.798 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -59.43 -41.76 90.29 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.256 -0.902 . . . . 0.0 109.843 -178.836 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -109.71 2.83 20.37 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.275 -0.891 . . . . 0.0 109.959 -179.757 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . 0.508 ' N ' ' O ' ' B' ' 23' ' ' ALA . 97.8 m-20 53.35 49.84 18.85 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.294 -0.879 . . . . 0.0 110.089 179.39 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 77.3 mt -115.39 151.47 45.98 Favored Pre-proline 0 N--CA 1.497 1.913 0 N-CA-C 107.437 -1.32 . . . . 0.0 107.437 179.123 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -60.77 153.64 61.16 Favored 'Trans proline' 0 C--N 1.311 -1.429 0 C-N-CA 121.655 1.57 . . . . 0.0 111.664 -179.813 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . 0.416 ' O ' ' N ' ' B' ' 34' ' ' LYS . 25.7 Cg_exo -46.19 -38.37 19.61 Favored 'Trans proline' 0 C--N 1.312 -1.377 0 C-N-CA 121.776 1.651 . . . . 0.0 111.897 179.619 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 61.4 t -53.0 -49.32 49.84 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.789 0 O-C-N 120.959 -1.088 . . . . 0.0 110.791 -178.653 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 59.9 t -67.21 -48.62 77.86 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.71 0 C-N-CA 118.188 -1.405 . . . . 0.0 109.47 -178.656 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.78 -41.26 87.98 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.087 -1.008 . . . . 0.0 110.057 -179.806 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' B' ' 30' ' ' PRO . 10.0 mtpm? -62.48 -36.43 82.48 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.905 -1.122 . . . . 0.0 109.997 179.397 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 -59.8 -37.59 79.55 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 120.999 -1.063 . . . . 0.0 109.52 -179.126 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 65.2 mt -59.87 -40.1 81.84 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.103 -0.998 . . . . 0.0 108.803 179.098 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 86.1 t -64.06 -39.7 86.39 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.403 0 N-CA-C 108.493 -0.929 . . . . 0.0 108.493 179.051 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . 0.447 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -61.22 -30.05 70.2 Favored 'General case' 0 C--N 1.3 -1.561 0 C-N-CA 119.801 -0.76 . . . . 0.0 109.496 179.534 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 56.0 m -81.53 -23.44 37.26 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.902 -1.124 . . . . 0.0 109.76 -179.962 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 42.4 t -85.65 104.52 15.46 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.182 -0.949 . . . . 0.0 109.776 -179.759 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 58.7 m-20 -60.8 -30.67 70.2 Favored 'General case' 0 C--N 1.299 -1.625 0 O-C-N 121.353 -0.842 . . . . 0.0 110.094 179.884 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -70.15 -42.2 72.85 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.012 -1.055 . . . . 0.0 110.782 -178.791 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 90.2 m -85.87 -24.99 26.46 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.881 -1.137 . . . . 0.0 110.263 -179.716 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . 0.447 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 7.0 tt0 -73.98 -70.4 0.39 Allowed 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.919 -1.113 . . . . 0.0 109.408 -179.277 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 35.0 mt -80.72 108.42 14.36 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 108.212 -1.032 . . . . 0.0 108.212 179.586 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 51.5 tttp -90.76 -72.7 0.56 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.289 -0.882 . . . . 0.0 109.272 -179.767 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -155.19 -124.3 0.88 Allowed Glycine 0 N--CA 1.494 2.504 0 N-CA-C 109.507 -1.437 . . . . 0.0 109.507 179.419 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 54.0 27.23 7.19 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.357 -1.084 . . . . 0.0 108.922 -179.663 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . 0.439 ' O ' ' ND1' ' B' ' 51' ' ' HIS . . . -82.45 140.39 33.43 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.287 -0.883 . . . . 0.0 109.067 179.527 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 56.2 mtt -65.95 140.7 58.34 Favored 'General case' 0 C--N 1.299 -1.611 0 C-N-CA 119.939 -0.704 . . . . 0.0 109.638 -179.859 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 51' ' ' HIS . . . . . 0.439 ' ND1' ' O ' ' B' ' 49' ' ' ALA . 17.2 p-80 -170.18 104.85 0.3 Allowed 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.261 -0.899 . . . . 0.0 109.041 179.511 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -65.43 159.9 44.35 Favored Glycine 0 N--CA 1.486 1.982 0 N-CA-C 109.546 -1.422 . . . . 0.0 109.546 -179.71 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -83.97 12.24 6.55 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.376 -1.073 . . . . 0.0 108.728 179.79 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.456 HG11 ' H ' ' B' ' 55' ' ' ASP . 1.5 t 46.26 -150.2 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 O-C-N 121.684 -0.635 . . . . 0.0 109.375 -179.983 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . 0.456 ' H ' HG11 ' B' ' 54' ' ' VAL . 31.6 m-20 . . . . . 0 N--CA 1.49 1.539 0 CA-C-O 117.851 -1.071 . . . . 0.0 110.046 -179.643 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' PHE . . . . . 0.427 ' O ' HD12 ' A' ' 5' ' ' ILE . 62.2 m-85 . . . . . 0 N--CA 1.491 1.606 0 CA-C-O 121.428 0.633 . . . . 0.0 109.744 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 19.3 mt -72.67 -28.96 63.02 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.494 -0.754 . . . . 0.0 111.32 -178.423 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -61.89 -56.63 17.29 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 120.784 -1.198 . . . . 0.0 111.505 -178.415 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.91 -41.81 99.8 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.849 -1.3 . . . . 0.0 109.849 -179.324 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.427 HD12 ' O ' ' A' ' 1' ' ' PHE . 95.2 mt -59.5 -40.04 80.83 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.522 0 O-C-N 121.496 -1.002 . . . . 0.0 110.682 -179.58 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 63.5 t0 -55.35 -49.12 73.07 Favored 'General case' 0 C--N 1.303 -1.418 0 C-N-CA 118.809 -1.156 . . . . 0.0 108.975 -179.285 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 58.8 mttp -69.08 -40.38 78.48 Favored 'General case' 0 C--N 1.302 -1.467 0 C-N-CA 119.077 -1.049 . . . . 0.0 109.313 178.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.22 -37.13 83.09 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.379 -0.826 . . . . 0.0 110.015 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 57.7 tt0 -59.08 -40.21 84.53 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.089 -1.007 . . . . 0.0 109.29 -179.165 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 -61.93 -42.32 98.97 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.004 -1.06 . . . . 0.0 109.102 179.648 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 26.8 tp10 -60.7 -40.54 92.6 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.119 -0.988 . . . . 0.0 108.746 179.438 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.526 ' O ' ' N ' ' A' ' 16' ' ' HIS . 14.4 t60 -59.89 -45.95 90.89 Favored 'General case' 0 C--N 1.304 -1.408 0 C-N-CA 119.37 -0.932 . . . . 0.0 109.711 179.67 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -61.16 -41.49 96.87 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.463 -0.773 . . . . 0.0 110.426 -179.304 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.3 mtpp -61.33 -38.24 86.18 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.366 -0.834 . . . . 0.0 112.7 -178.66 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -134.36 -2.04 2.82 Favored 'General case' 0 N--CA 1.507 2.398 0 O-C-N 120.867 -1.146 . . . . 0.0 112.414 -176.666 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.526 ' N ' ' O ' ' A' ' 12' ' ' HIS . 81.3 m-70 53.85 40.31 31.39 Favored 'General case' 0 N--CA 1.494 1.775 0 N-CA-C 107.214 -1.402 . . . . 0.0 107.214 -177.373 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 89.9 p -60.68 156.33 17.03 Favored 'General case' 0 C--N 1.305 -1.357 0 C-N-CA 120.161 -0.616 . . . . 0.0 110.282 -178.496 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -75.01 161.51 29.4 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.347 -0.846 . . . . 0.0 109.116 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 33.8 p-90 -57.87 -30.15 65.6 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.11 -0.993 . . . . 0.0 110.262 -179.603 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -62.49 -40.14 95.75 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.868 -1.145 . . . . 0.0 110.324 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.82 -48.87 57.38 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.218 -0.926 . . . . 0.0 109.358 -179.702 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 79.3 mtm -60.22 -39.75 87.75 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.386 -0.821 . . . . 0.0 109.852 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -59.15 -46.54 88.1 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.172 -0.955 . . . . 0.0 109.044 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 73.1 m -69.69 -37.39 76.61 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.452 -0.78 . . . . 0.0 110.44 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -60.56 -40.58 92.18 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.23 -0.918 . . . . 0.0 110.612 -178.507 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -111.61 4.99 19.07 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.44 -0.787 . . . . 0.0 109.701 -179.539 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.433 ' N ' ' O ' ' A' ' 23' ' ' ALA . 82.1 m-20 54.58 42.69 31.13 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.508 -0.745 . . . . 0.0 109.823 179.505 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 69.8 mt -107.63 151.45 41.06 Favored Pre-proline 0 N--CA 1.501 2.091 0 N-CA-C 108.493 -0.929 . . . . 0.0 108.493 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_endo -60.07 162.04 17.66 Favored 'Trans proline' 0 N--CA 1.494 1.534 0 C-N-CA 121.781 1.654 . . . . 0.0 111.177 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_endo -56.67 -34.45 95.87 Favored 'Trans proline' 0 C--N 1.303 -1.817 0 C-N-CA 122.233 1.955 . . . . 0.0 111.379 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 55.0 t -54.45 -49.75 63.1 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.633 0 O-C-N 121.054 -1.029 . . . . 0.0 110.171 -179.287 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 93.3 t -66.85 -48.6 79.3 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.745 0 C-N-CA 118.614 -1.234 . . . . 0.0 109.7 -179.195 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.46 -43.27 90.86 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.383 -0.823 . . . . 0.0 110.187 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.7 mtpm? -61.25 -36.99 81.5 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 120.836 -1.165 . . . . 0.0 110.473 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.3 tm-20 -61.77 -38.13 86.89 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 119.025 -1.07 . . . . 0.0 110.371 -178.776 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 77.5 mt -59.85 -40.23 82.15 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 120.745 -1.222 . . . . 0.0 108.387 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 90.4 t -64.1 -38.33 82.16 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.576 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 178.505 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.403 ' O ' ' OE1' ' A' ' 44' ' ' GLN . . . -60.21 -33.38 72.17 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.488 -0.757 . . . . 0.0 109.851 179.696 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 25.5 m -80.2 -25.92 39.44 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.936 -1.103 . . . . 0.0 109.435 -179.693 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 44.7 t -81.11 103.98 11.28 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.384 -0.822 . . . . 0.0 109.694 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -60.96 -30.88 70.51 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.474 -0.766 . . . . 0.0 110.828 -179.626 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -71.15 -41.19 70.75 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.817 -1.177 . . . . 0.0 110.676 -178.589 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 90.5 m -85.12 -23.53 28.4 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.953 -1.092 . . . . 0.0 109.656 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.403 ' OE1' ' O ' ' A' ' 38' ' ' ALA . 58.6 tt0 . . . . . 0 N--CA 1.493 1.715 0 O-C-N 121.235 -0.916 . . . . 0.0 110.144 -179.436 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 1' ' ' PHE . . . . . 0.459 ' O ' HD12 ' B' ' 5' ' ' ILE . 62.5 m-85 . . . . . 0 N--CA 1.492 1.631 0 CA-C-O 121.531 0.681 . . . . 0.0 109.861 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 20.8 mt -72.9 -28.51 62.52 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.39 -0.819 . . . . 0.0 111.148 -178.328 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -62.21 -56.97 13.35 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 120.765 -1.21 . . . . 0.0 111.51 -178.337 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.76 -41.28 99.87 Favored Glycine 0 N--CA 1.493 2.477 0 N-CA-C 109.847 -1.301 . . . . 0.0 109.847 -179.443 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 5' ' ' ILE . . . . . 0.459 HD12 ' O ' ' B' ' 1' ' ' PHE . 93.6 mt -60.21 -39.94 82.15 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.598 0 O-C-N 121.387 -1.067 . . . . 0.0 110.633 -179.557 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 66.0 t0 -55.1 -49.15 72.43 Favored 'General case' 0 C--N 1.301 -1.538 0 C-N-CA 118.861 -1.136 . . . . 0.0 108.845 -179.195 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 58.6 mttp -69.59 -39.8 77.08 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.093 -1.005 . . . . 0.0 109.275 179.094 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.52 -37.36 82.66 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.456 -0.777 . . . . 0.0 109.905 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 9' ' ' GLN . . . . . 0.427 ' N ' ' O ' ' B' ' 5' ' ' ILE . 58.3 tt0 -59.06 -39.68 82.8 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.071 -1.018 . . . . 0.0 109.573 -179.007 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 78.4 tt0 -62.27 -42.91 99.75 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.152 -0.968 . . . . 0.0 108.827 179.559 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 26.4 tp10 -60.0 -40.43 89.2 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.253 -0.904 . . . . 0.0 108.867 179.253 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 12' ' ' HIS . . . . . 0.554 ' O ' ' N ' ' B' ' 16' ' ' HIS . 14.0 t60 -60.23 -45.6 92.67 Favored 'General case' 0 C--N 1.305 -1.365 0 C-N-CA 119.295 -0.962 . . . . 0.0 109.614 179.731 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.15 -41.98 97.73 Favored 'General case' 0 C--N 1.296 -1.738 0 O-C-N 121.414 -0.804 . . . . 0.0 110.313 -179.129 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 26.3 mtpp -61.09 -37.95 84.52 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.459 -0.776 . . . . 0.0 112.911 -178.66 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -134.63 -2.2 2.72 Favored 'General case' 0 N--CA 1.506 2.331 0 O-C-N 120.984 -1.073 . . . . 0.0 112.361 -176.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.554 ' N ' ' O ' ' B' ' 12' ' ' HIS . 81.7 m-70 54.09 40.46 31.67 Favored 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 107.14 -1.43 . . . . 0.0 107.14 -177.451 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 87.1 p -60.81 156.26 17.56 Favored 'General case' 0 C--N 1.303 -1.425 0 C-N-CA 119.966 -0.694 . . . . 0.0 110.314 -178.266 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -74.59 160.96 30.18 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.459 -0.775 . . . . 0.0 109.08 179.663 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 34.6 p-90 -57.4 -30.51 64.99 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.034 -1.041 . . . . 0.0 110.266 -179.629 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -61.92 -40.45 95.54 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.987 -1.071 . . . . 0.0 110.266 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.82 -48.75 57.83 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.176 -0.953 . . . . 0.0 109.591 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 79.0 mtm -60.55 -39.73 88.98 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.318 -0.864 . . . . 0.0 109.665 -179.707 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.435 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -59.45 -46.0 90.01 Favored 'General case' 0 N--CA 1.491 1.592 0 C-N-CA 119.328 -0.949 . . . . 0.0 109.114 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 73.1 m -69.81 -37.43 76.26 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.409 -0.807 . . . . 0.0 110.428 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -60.46 -40.33 90.84 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.431 -0.793 . . . . 0.0 110.767 -178.609 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -111.76 5.0 18.84 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.516 -0.74 . . . . 0.0 109.847 -179.542 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 27' ' ' ASN . . . . . 0.435 ' N ' ' O ' ' B' ' 23' ' ' ALA . 81.1 m-20 54.52 42.32 31.4 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.508 -0.745 . . . . 0.0 109.859 179.602 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 68.4 mt -107.24 151.18 40.72 Favored Pre-proline 0 N--CA 1.502 2.152 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 179.591 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_endo -60.02 162.03 17.54 Favored 'Trans proline' 0 N--CA 1.493 1.487 0 C-N-CA 121.862 1.708 . . . . 0.0 111.185 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_endo -56.39 -34.58 94.74 Favored 'Trans proline' 0 C--N 1.304 -1.777 0 C-N-CA 122.243 1.962 . . . . 0.0 111.43 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 55.7 t -54.41 -49.36 65.45 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.646 0 O-C-N 121.192 -0.943 . . . . 0.0 110.057 -179.201 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 92.6 t -67.39 -48.74 76.56 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.756 0 C-N-CA 118.633 -1.227 . . . . 0.0 109.644 -179.196 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.52 -42.92 91.48 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.383 -0.823 . . . . 0.0 110.278 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 10.7 mtpm? -61.41 -36.96 81.76 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.864 -1.148 . . . . 0.0 110.461 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 14.7 tm-20 -61.58 -38.62 88.19 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 120.952 -1.092 . . . . 0.0 110.349 -178.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 79.2 mt -59.25 -40.59 81.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 120.683 -1.261 . . . . 0.0 108.248 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 88.9 t -63.94 -38.64 82.91 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.587 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 178.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 38' ' ' ALA . . . . . 0.553 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -59.96 -33.48 71.98 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.551 -0.718 . . . . 0.0 109.798 179.607 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 25.4 m -80.18 -25.99 39.47 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.981 -1.074 . . . . 0.0 109.395 -179.611 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 47.4 t -81.12 104.51 11.65 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.335 -0.853 . . . . 0.0 109.667 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -61.37 -30.66 70.67 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.384 -0.822 . . . . 0.0 110.825 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 65.0 mttm -71.1 -40.97 71.19 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.647 -1.283 . . . . 0.0 110.76 -178.702 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 89.8 m -85.36 -23.7 27.91 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.922 -1.112 . . . . 0.0 109.645 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 44' ' ' GLN . . . . . 0.553 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 7.1 tt0 . . . . . 0 N--CA 1.492 1.666 0 O-C-N 121.124 -0.985 . . . . 0.0 110.014 -179.383 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 . . . . . 0 N--CA 1.487 1.414 0 CA-C-O 121.599 0.714 . . . . 0.0 109.686 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 33.7 mt -70.48 -38.5 74.4 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.466 -0.771 . . . . 0.0 111.367 -178.814 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -63.27 -46.96 84.37 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.744 -1.222 . . . . 0.0 110.274 -178.831 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.13 -47.53 72.14 Favored Glycine 0 N--CA 1.492 2.418 0 N-CA-C 109.651 -1.379 . . . . 0.0 109.651 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.547 HD11 HG11 ' B' ' 31' ' ' VAL . 81.6 mt -59.4 -39.78 79.96 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.71 0 O-C-N 121.61 -0.936 . . . . 0.0 111.14 -179.609 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -53.97 -46.7 71.73 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.723 -1.235 . . . . 0.0 109.148 -179.174 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -69.51 -43.23 73.5 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 120.884 -1.135 . . . . 0.0 109.726 178.608 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.31 -35.32 79.2 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.16 -0.963 . . . . 0.0 109.95 179.71 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -59.46 -39.66 84.35 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.142 -0.974 . . . . 0.0 109.256 -179.625 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -60.96 -40.86 94.94 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.199 -0.938 . . . . 0.0 109.051 179.025 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.4 tm-20 -61.71 -42.23 98.67 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.365 -0.834 . . . . 0.0 109.251 179.518 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.552 ' O ' ' N ' ' A' ' 16' ' ' HIS . 22.2 t60 -60.45 -45.51 93.43 Favored 'General case' 0 N--CA 1.486 1.362 0 O-C-N 121.086 -1.009 . . . . 0.0 109.747 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.13 -44.13 95.15 Favored 'General case' 0 C--N 1.298 -1.672 0 O-C-N 121.221 -0.924 . . . . 0.0 110.327 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.7 mtpp -62.11 -32.87 73.49 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.2 -0.938 . . . . 0.0 112.953 -178.594 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 27.4 m-85 -139.21 -1.65 1.72 Allowed 'General case' 0 N--CA 1.508 2.429 0 O-C-N 120.624 -1.298 . . . . 0.0 112.464 -177.105 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.552 ' N ' ' O ' ' A' ' 12' ' ' HIS . 89.7 m-70 54.76 39.71 31.52 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.498 -1.377 . . . . 0.0 107.317 -178.026 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 95.6 p -60.2 156.49 15.23 Favored 'General case' 0 C--N 1.303 -1.441 0 CA-C-O 121.39 0.614 . . . . 0.0 110.732 -178.54 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 -74.1 155.88 38.0 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 179.727 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 39.5 p-90 -56.2 -29.83 61.46 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.958 -1.089 . . . . 0.0 109.561 -179.484 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 55.9 mtp180 -62.86 -40.23 96.85 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.834 -1.166 . . . . 0.0 109.868 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.21 -48.59 61.59 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.172 -0.955 . . . . 0.0 108.964 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 77.1 mtm -59.97 -41.46 92.02 Favored 'General case' 0 N--CA 1.49 1.53 0 C-N-CA 119.43 -0.908 . . . . 0.0 109.237 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -58.11 -46.0 86.31 Favored 'General case' 0 C--N 1.297 -1.701 0 C-N-CA 118.864 -1.134 . . . . 0.0 109.56 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 18.6 t -70.65 -38.02 73.78 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.345 -0.847 . . . . 0.0 111.212 -179.313 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -59.64 -43.05 93.99 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.075 -1.016 . . . . 0.0 109.907 -178.46 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -107.25 1.22 23.76 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.6 -0.687 . . . . 0.0 110.378 -179.493 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.453 ' N ' ' O ' ' A' ' 23' ' ' ALA . 66.9 t30 55.45 52.14 11.74 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.152 -0.967 . . . . 0.0 110.138 179.225 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 90.4 mt -118.61 150.59 48.46 Favored Pre-proline 0 N--CA 1.498 1.969 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 179.567 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_endo -59.97 149.27 85.08 Favored 'Trans proline' 0 N--CA 1.493 1.462 0 C-N-CA 121.934 1.756 . . . . 0.0 112.053 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.502 ' O ' ' N ' ' A' ' 34' ' ' LYS . 31.6 Cg_exo -43.24 -35.78 5.54 Favored 'Trans proline' 0 N--CA 1.486 1.047 0 C-N-CA 121.767 1.645 . . . . 0.0 112.029 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.59 HG11 HD11 ' B' ' 5' ' ' ILE . 88.8 t -52.8 -50.33 43.18 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.863 0 O-C-N 121.302 -0.874 . . . . 0.0 110.146 -178.099 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 47.4 t -67.1 -49.76 70.2 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.669 0 C-N-CA 118.578 -1.249 . . . . 0.0 109.495 -178.853 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.71 -41.87 91.81 Favored 'General case' 0 C--N 1.303 -1.448 0 C-N-CA 119.631 -0.828 . . . . 0.0 109.798 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.502 ' N ' ' O ' ' A' ' 30' ' ' PRO . 1.9 mmmp? -61.77 -38.11 86.82 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.005 -1.059 . . . . 0.0 110.233 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.6 tm-20 -61.15 -38.32 86.02 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 120.895 -1.128 . . . . 0.0 109.337 -178.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 81.2 mt -59.88 -39.88 81.25 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.342 0 O-C-N 121.092 -1.005 . . . . 0.0 109.678 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 71.2 t -63.43 -39.92 87.11 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.465 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 179.488 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.401 ' O ' ' OE1' ' A' ' 44' ' ' GLN . . . -61.1 -30.61 70.46 Favored 'General case' 0 C--N 1.301 -1.522 0 CA-C-O 121.378 0.609 . . . . 0.0 110.288 179.41 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.1 m -80.85 -20.5 42.24 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 120.824 -1.173 . . . . 0.0 109.965 -178.725 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 43.7 t -85.03 107.12 17.0 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.365 -0.834 . . . . 0.0 109.212 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -60.05 -32.59 71.07 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.348 -0.845 . . . . 0.0 110.259 -179.606 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 58.5 mttm -70.9 -42.91 69.35 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 120.989 -1.069 . . . . 0.0 110.935 -178.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 94.0 m -86.34 -23.68 26.13 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.447 -1.408 . . . . 0.0 109.754 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.401 ' OE1' ' O ' ' A' ' 38' ' ' ALA . 13.9 tt0 . . . . . 0 C--N 1.3 -1.574 0 O-C-N 121.157 -0.965 . . . . 0.0 109.193 -179.526 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 121.319 0.581 . . . . 0.0 109.942 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 34.7 mt -70.54 -37.6 74.07 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.367 -0.833 . . . . 0.0 111.583 -178.551 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -63.94 -46.32 85.25 Favored 'General case' 0 C--N 1.298 -1.632 0 O-C-N 120.838 -1.164 . . . . 0.0 110.371 -178.517 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.49 -47.32 63.39 Favored Glycine 0 N--CA 1.492 2.418 0 N-CA-C 109.469 -1.452 . . . . 0.0 109.469 -179.693 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 5' ' ' ILE . . . . . 0.59 HD11 HG11 ' A' ' 31' ' ' VAL . 82.3 mt -59.01 -39.35 78.12 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.559 0 O-C-N 121.557 -0.967 . . . . 0.0 110.331 179.791 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 79.5 m-20 -54.2 -47.52 72.0 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 118.424 -1.31 . . . . 0.0 108.951 -179.108 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -69.36 -41.69 76.24 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.904 -1.122 . . . . 0.0 110.051 179.31 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.7 -35.44 77.19 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.067 -1.021 . . . . 0.0 109.582 179.484 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 9' ' ' GLN . . . . . 0.409 ' N ' ' O ' ' B' ' 5' ' ' ILE . 55.3 tt0 -57.83 -40.67 80.59 Favored 'General case' 0 C--N 1.302 -1.458 0 C-N-CA 119.171 -1.012 . . . . 0.0 109.237 -179.581 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -60.16 -42.0 93.97 Favored 'General case' 0 N--CA 1.491 1.575 0 C-N-CA 119.602 -0.839 . . . . 0.0 109.154 178.58 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -60.51 -41.36 94.18 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 120.774 -1.204 . . . . 0.0 109.215 179.748 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 12' ' ' HIS . . . . . 0.536 ' O ' ' N ' ' B' ' 16' ' ' HIS . 20.6 t60 -60.9 -46.22 91.5 Favored 'General case' 0 C--N 1.3 -1.55 0 C-N-CA 119.404 -0.919 . . . . 0.0 110.083 -179.673 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -60.22 -41.14 92.42 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.229 -0.919 . . . . 0.0 110.329 -179.309 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 14' ' ' LYS . . . . . 0.403 ' HB3' ' CE2' ' B' ' 15' ' ' TYR . 26.1 mtpp -64.34 -33.03 74.91 Favored 'General case' 0 C--N 1.297 -1.682 0 O-C-N 121.303 -0.873 . . . . 0.0 112.859 -178.55 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 15' ' ' TYR . . . . . 0.403 ' CE2' ' HB3' ' B' ' 14' ' ' LYS . 31.7 m-85 -139.62 -1.92 1.61 Allowed 'General case' 0 N--CA 1.508 2.46 0 O-C-N 120.764 -1.21 . . . . 0.0 112.383 -176.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.536 ' N ' ' O ' ' B' ' 12' ' ' HIS . 90.0 m-70 55.31 40.81 31.6 Favored 'General case' 0 N--CA 1.491 1.582 0 N-CA-C 106.932 -1.507 . . . . 0.0 106.932 -178.076 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 92.8 p -61.08 155.35 20.62 Favored 'General case' 0 N--CA 1.492 1.664 0 CA-C-O 121.581 0.705 . . . . 0.0 110.576 -178.656 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 -73.21 157.57 36.89 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.484 -0.76 . . . . 0.0 108.981 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 46.0 p-90 -57.31 -29.89 64.29 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.837 -1.164 . . . . 0.0 109.535 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 55.6 mtp180 -61.97 -40.44 95.6 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.015 -1.053 . . . . 0.0 109.829 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.44 -48.49 60.77 Favored 'General case' 0 C--N 1.302 -1.493 0 C-N-CA 119.253 -0.979 . . . . 0.0 109.282 179.755 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 78.5 mtm -60.44 -40.84 92.56 Favored 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 119.441 -0.903 . . . . 0.0 109.746 -179.188 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -59.05 -45.98 89.4 Favored 'General case' 0 C--N 1.295 -1.797 0 O-C-N 120.992 -1.067 . . . . 0.0 109.539 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 23.2 t -70.38 -38.84 74.8 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.181 -0.95 . . . . 0.0 110.685 -179.534 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -58.91 -42.27 89.25 Favored 'General case' 0 N--CA 1.494 1.741 0 C-N-CA 119.468 -0.893 . . . . 0.0 110.334 -178.356 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -107.89 1.1 22.47 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.422 -0.799 . . . . 0.0 109.997 -179.599 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 27' ' ' ASN . . . . . 0.444 ' N ' ' O ' ' B' ' 23' ' ' ALA . 67.1 t30 55.8 53.12 9.79 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.126 -0.983 . . . . 0.0 110.083 179.74 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 86.6 mt -119.37 151.42 51.24 Favored Pre-proline 0 N--CA 1.501 2.081 0 N-CA-C 108.188 -1.041 . . . . 0.0 108.188 179.391 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_endo -60.69 150.71 80.96 Favored 'Trans proline' 0 N--CA 1.493 1.447 0 C-N-CA 121.781 1.654 . . . . 0.0 111.933 -179.353 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 30' ' ' PRO . . . . . 0.5 ' O ' ' N ' ' B' ' 34' ' ' LYS . 34.0 Cg_exo -43.81 -35.7 7.1 Favored 'Trans proline' 0 C--N 1.312 -1.369 0 C-N-CA 121.861 1.707 . . . . 0.0 111.722 179.612 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.547 HG11 HD11 ' A' ' 5' ' ' ILE . 86.0 t -53.02 -50.67 43.73 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.731 0 O-C-N 121.142 -0.974 . . . . 0.0 110.454 -178.072 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 46.5 t -67.25 -49.3 73.65 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.642 0 C-N-CA 118.947 -1.101 . . . . 0.0 109.118 -179.131 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.86 -42.86 89.87 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.029 -1.044 . . . . 0.0 110.15 179.732 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.5 ' N ' ' O ' ' B' ' 30' ' ' PRO . 2.0 mmmp? -61.56 -38.76 88.64 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 120.987 -1.07 . . . . 0.0 110.207 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 14.6 tm-20 -60.19 -38.32 82.9 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 119.07 -1.052 . . . . 0.0 109.115 -179.036 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 86.3 mt -59.88 -40.27 82.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 120.965 -1.085 . . . . 0.0 109.698 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 77.9 t -62.99 -39.44 85.21 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.658 0 O-C-N 120.93 -1.106 . . . . 0.0 108.673 179.546 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 38' ' ' ALA . . . . . 0.412 ' O ' ' OE1' ' B' ' 44' ' ' GLN . . . -61.81 -32.1 72.38 Favored 'General case' 0 N--CA 1.49 1.551 0 CA-C-O 121.404 0.621 . . . . 0.0 109.591 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 6.3 m -78.09 -23.98 47.77 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.153 -0.967 . . . . 0.0 110.356 -179.01 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 40.4 t -82.94 107.3 15.45 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.1 -1.0 . . . . 0.0 109.841 179.653 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -59.97 -31.31 69.77 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.388 -0.82 . . . . 0.0 110.798 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 62.7 mttm -72.16 -40.75 67.75 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 120.898 -1.126 . . . . 0.0 110.776 -178.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 84.3 m -89.0 -23.47 22.61 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 120.774 -1.203 . . . . 0.0 109.333 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 44' ' ' GLN . . . . . 0.412 ' OE1' ' O ' ' B' ' 38' ' ' ALA . 15.0 tt0 . . . . . 0 C--N 1.3 -1.55 0 O-C-N 121.333 -0.854 . . . . 0.0 109.645 -179.726 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 . . . . . 0 N--CA 1.491 1.586 0 CA-C-O 121.358 0.599 . . . . 0.0 110.173 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 33.1 mt -72.47 -43.46 63.68 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.269 -0.894 . . . . 0.0 111.463 -177.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -66.9 -48.26 69.26 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.989 -1.069 . . . . 0.0 111.06 -178.126 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.75 -47.34 90.95 Favored Glycine 0 N--CA 1.494 2.5 0 N-CA-C 109.892 -1.283 . . . . 0.0 109.892 -179.294 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.659 HD11 HG11 ' B' ' 31' ' ' VAL . 87.1 mt -59.24 -39.87 79.82 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.511 0 O-C-N 121.345 -1.091 . . . . 0.0 110.116 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 -53.59 -43.6 68.71 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 120.81 -1.181 . . . . 0.0 109.097 -179.31 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -69.7 -45.28 68.61 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.965 -1.084 . . . . 0.0 108.985 178.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.33 -33.83 76.61 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.39 -0.819 . . . . 0.0 109.304 179.418 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.492 ' N ' ' O ' ' A' ' 5' ' ' ILE . 53.0 tt0 -58.71 -40.08 82.66 Favored 'General case' 0 C--N 1.302 -1.485 0 C-N-CA 119.367 -0.933 . . . . 0.0 109.158 -179.72 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 34.4 tp10 -62.34 -42.13 99.14 Favored 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 119.281 -0.968 . . . . 0.0 108.734 179.141 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 35.6 tp10 -60.49 -41.84 95.08 Favored 'General case' 0 N--CA 1.492 1.643 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 179.408 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.545 ' O ' ' N ' ' A' ' 16' ' ' HIS . 15.0 t60 -60.88 -47.8 84.72 Favored 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 119.705 -0.798 . . . . 0.0 109.909 179.635 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 32.9 tp10 -60.41 -41.35 93.73 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.287 -0.883 . . . . 0.0 110.029 -179.024 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 56.5 mtpt -60.73 -35.81 77.29 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.326 -0.859 . . . . 0.0 112.753 -178.757 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -136.38 -3.86 2.13 Favored 'General case' 0 N--CA 1.508 2.473 0 O-C-N 120.772 -1.205 . . . . 0.0 112.759 -177.29 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.545 ' N ' ' O ' ' A' ' 12' ' ' HIS . 87.5 m-70 54.54 43.61 30.01 Favored 'General case' 0 N--CA 1.498 1.955 0 N-CA-C 107.421 -1.326 . . . . 0.0 107.421 -177.432 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 87.3 p -64.95 155.31 34.85 Favored 'General case' 0 N--CA 1.486 1.331 0 CA-C-O 121.611 0.719 . . . . 0.0 110.626 -178.759 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -71.15 159.13 35.24 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.22 -0.925 . . . . 0.0 108.679 179.338 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 37.8 p-90 -56.91 -29.83 63.4 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.005 -1.059 . . . . 0.0 111.214 -178.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 62.1 mtp180 -61.56 -40.8 96.02 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.889 -1.132 . . . . 0.0 110.334 -179.635 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.54 -49.06 65.07 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.155 -0.965 . . . . 0.0 109.389 -179.602 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 78.3 mtm -60.23 -41.13 92.45 Favored 'General case' 0 C--N 1.303 -1.452 0 C-N-CA 119.588 -0.845 . . . . 0.0 109.386 179.73 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.51 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -58.76 -47.07 85.97 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.413 -0.804 . . . . 0.0 108.964 179.799 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 35.7 t -69.71 -38.22 76.84 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.594 -0.691 . . . . 0.0 110.464 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -60.59 -40.07 90.4 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.23 -0.919 . . . . 0.0 110.014 -179.012 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -108.93 -0.06 19.88 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.435 -0.79 . . . . 0.0 109.871 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.51 ' N ' ' O ' ' A' ' 23' ' ' ALA . 18.4 t-20 56.21 47.44 19.38 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.277 -0.889 . . . . 0.0 109.264 -179.802 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 83.4 mt -113.64 153.04 45.93 Favored Pre-proline 0 N--CA 1.501 2.086 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -60.13 163.27 14.69 Favored 'Trans proline' 0 C--N 1.314 -1.261 0 C-N-CA 121.449 1.433 . . . . 0.0 110.819 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -58.96 -32.23 97.1 Favored 'Trans proline' 0 C--N 1.296 -2.2 0 C-N-CA 122.223 1.949 . . . . 0.0 111.743 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.613 HG11 HD11 ' B' ' 5' ' ' ILE . 49.3 t -56.56 -47.71 81.57 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.693 0 O-C-N 120.715 -1.241 . . . . 0.0 109.858 -178.904 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 57.8 t -67.46 -50.13 64.76 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.688 0 C-N-CA 118.852 -1.139 . . . . 0.0 108.976 -179.326 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.39 -46.15 84.55 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.328 -0.857 . . . . 0.0 110.301 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.2 mtpm? -60.88 -36.1 78.34 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.776 -1.203 . . . . 0.0 109.88 179.604 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -60.87 -38.66 86.35 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 119.062 -1.055 . . . . 0.0 110.358 -178.696 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 48.3 mt -59.86 -39.97 81.48 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 120.921 -1.112 . . . . 0.0 108.335 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 95.5 t -61.18 -39.92 84.12 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 178.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.79 -32.05 70.26 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.54 -0.725 . . . . 0.0 109.775 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.9 m -78.88 -29.1 44.21 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.194 -0.941 . . . . 0.0 109.229 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 51.2 t -81.19 102.09 10.1 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.21 -0.931 . . . . 0.0 109.447 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -60.89 -31.24 70.73 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.213 -0.929 . . . . 0.0 110.213 -179.551 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp -67.86 -40.76 83.6 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.283 -0.886 . . . . 0.0 110.401 -178.496 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 88.4 m -86.67 -28.72 22.98 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.757 -1.215 . . . . 0.0 110.153 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 47.2 tt0 . . . . . 0 N--CA 1.495 1.804 0 O-C-N 121.002 -1.061 . . . . 0.0 110.867 -178.428 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 . . . . . 0 N--CA 1.49 1.561 0 CA-C-O 121.379 0.609 . . . . 0.0 110.169 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 30.7 mt -72.27 -43.84 63.7 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.323 -0.86 . . . . 0.0 111.558 -178.032 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -66.65 -47.73 71.61 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.837 -1.164 . . . . 0.0 111.112 -178.101 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.33 -47.27 90.82 Favored Glycine 0 N--CA 1.492 2.419 0 N-CA-C 109.918 -1.273 . . . . 0.0 109.918 -179.247 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 5' ' ' ILE . . . . . 0.613 HD11 HG11 ' A' ' 31' ' ' VAL . 86.8 mt -59.55 -39.05 78.34 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.516 0 O-C-N 121.595 -0.944 . . . . 0.0 110.209 -179.775 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -53.88 -43.44 69.61 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 120.682 -1.261 . . . . 0.0 109.243 -179.537 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -69.79 -45.1 68.72 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.072 -1.017 . . . . 0.0 108.983 179.124 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.3 -34.38 77.85 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.444 -0.785 . . . . 0.0 109.14 179.638 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -58.52 -40.3 82.51 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.277 -0.89 . . . . 0.0 109.075 -179.683 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 36.0 tp10 -62.06 -42.36 99.11 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.036 -1.04 . . . . 0.0 108.857 178.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 33.7 tp10 -60.77 -41.52 95.66 Favored 'General case' 0 N--CA 1.491 1.576 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 179.488 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 12' ' ' HIS . . . . . 0.56 ' O ' ' N ' ' B' ' 16' ' ' HIS . 14.9 t60 -60.82 -48.28 82.54 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.294 -0.879 . . . . 0.0 109.988 179.379 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 33.4 tp10 -60.11 -41.63 92.98 Favored 'General case' 0 C--N 1.297 -1.715 0 O-C-N 121.252 -0.905 . . . . 0.0 110.316 -178.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -60.9 -34.71 75.09 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.423 -0.798 . . . . 0.0 112.571 -178.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -136.95 -4.02 1.98 Allowed 'General case' 0 N--CA 1.512 2.636 0 O-C-N 120.721 -1.237 . . . . 0.0 112.819 -177.157 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.56 ' N ' ' O ' ' B' ' 12' ' ' HIS . 87.8 m-70 54.37 43.39 30.53 Favored 'General case' 0 N--CA 1.497 1.904 0 N-CA-C 107.529 -1.286 . . . . 0.0 107.529 -177.421 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 92.2 p -64.47 155.24 33.37 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.624 -0.672 . . . . 0.0 110.536 -178.694 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -71.61 159.56 34.21 Favored 'General case' 0 N--CA 1.489 1.512 0 N-CA-C 108.766 -0.828 . . . . 0.0 108.766 179.211 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 34.7 p-90 -56.98 -29.92 63.68 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.023 -1.048 . . . . 0.0 110.929 -178.807 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 61.4 mtp180 -61.68 -41.4 97.52 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.619 -1.301 . . . . 0.0 110.393 -179.593 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.83 -49.24 66.38 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.211 -0.931 . . . . 0.0 109.279 -179.38 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 78.4 mtm -60.1 -40.92 91.32 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 119.662 -0.815 . . . . 0.0 109.524 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.524 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -58.88 -47.04 86.33 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.46 -0.775 . . . . 0.0 109.174 179.738 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 31.9 t -69.85 -38.28 76.4 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.459 -0.775 . . . . 0.0 110.436 179.683 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -60.06 -40.51 89.72 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.016 -1.053 . . . . 0.0 109.961 -179.056 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -109.05 -0.1 19.65 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.451 -0.781 . . . . 0.0 109.947 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 27' ' ' ASN . . . . . 0.524 ' N ' ' O ' ' B' ' 23' ' ' ALA . 17.6 t-20 56.24 47.03 20.15 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.312 -0.867 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 83.6 mt -112.97 153.4 45.26 Favored Pre-proline 0 N--CA 1.502 2.168 0 N-CA-C 108.361 -0.977 . . . . 0.0 108.361 179.641 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -60.21 163.0 15.43 Favored 'Trans proline' 0 C--N 1.314 -1.268 0 C-N-CA 121.545 1.496 . . . . 0.0 110.991 179.552 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -58.84 -32.2 96.77 Favored 'Trans proline' 0 C--N 1.3 -2.0 0 C-N-CA 122.171 1.914 . . . . 0.0 111.563 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.659 HG11 HD11 ' A' ' 5' ' ' ILE . 61.9 t -56.47 -48.29 80.39 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.716 0 O-C-N 121.035 -1.041 . . . . 0.0 109.795 -178.611 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 60.3 t -67.2 -49.96 67.7 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.711 0 C-N-CA 118.786 -1.165 . . . . 0.0 109.052 -179.4 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.15 -45.92 86.32 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.316 -0.865 . . . . 0.0 110.124 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 10.3 mtpm? -61.15 -36.19 79.12 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.767 -1.208 . . . . 0.0 109.849 179.744 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.0 tm-20 -60.86 -39.05 87.7 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.005 -1.06 . . . . 0.0 110.065 -178.776 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 49.3 mt -59.12 -40.51 81.12 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 120.795 -1.191 . . . . 0.0 108.65 179.623 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 84.3 t -61.37 -39.84 84.15 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 N-CA-C 108.081 -1.081 . . . . 0.0 108.081 179.434 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 38' ' ' ALA . . . . . 0.535 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -59.89 -32.48 70.78 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.555 -0.716 . . . . 0.0 109.501 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 49.6 m -78.39 -28.8 47.0 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.14 -0.975 . . . . 0.0 109.373 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 53.1 t -81.42 102.15 10.32 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.295 -0.878 . . . . 0.0 109.433 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -61.14 -31.16 70.88 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.342 -0.849 . . . . 0.0 110.23 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 26.9 mtpp -68.35 -39.96 81.66 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.081 -1.012 . . . . 0.0 110.518 -178.516 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 88.9 m -86.95 -29.06 22.34 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 120.931 -1.105 . . . . 0.0 110.252 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 44' ' ' GLN . . . . . 0.535 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 6.3 tt0 . . . . . 0 N--CA 1.496 1.851 0 O-C-N 121.049 -1.032 . . . . 0.0 111.003 -178.618 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 1' ' ' PHE . . . . . 0.413 ' O ' HD12 ' A' ' 5' ' ' ILE . 77.4 m-85 . . . . . 0 N--CA 1.491 1.613 0 CA-C-O 121.291 0.567 . . . . 0.0 110.253 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 14.6 mt -70.76 -37.95 73.43 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.372 -0.83 . . . . 0.0 111.747 -177.871 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 85.6 m-20 -64.33 -45.5 87.57 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.612 -1.305 . . . . 0.0 111.643 -177.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.13 -44.82 59.11 Favored Glycine 0 N--CA 1.492 2.393 0 N-CA-C 109.768 -1.333 . . . . 0.0 109.768 -179.637 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.491 HD11 HG11 ' B' ' 31' ' ' VAL . 94.7 mt -60.05 -40.28 82.77 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.773 0 O-C-N 121.628 -0.925 . . . . 0.0 110.888 -179.371 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -57.16 -47.97 79.87 Favored 'General case' 0 C--N 1.3 -1.571 0 C-N-CA 118.549 -1.26 . . . . 0.0 108.836 -179.452 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -68.8 -43.56 75.36 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.371 -0.831 . . . . 0.0 109.037 178.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.1 -36.09 83.21 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.353 -0.842 . . . . 0.0 109.911 179.327 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.464 ' N ' ' O ' ' A' ' 5' ' ' ILE . 62.0 tt0 -57.9 -40.81 81.22 Favored 'General case' 0 C--N 1.301 -1.523 0 C-N-CA 119.091 -1.044 . . . . 0.0 108.988 -179.022 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -60.26 -41.91 94.25 Favored 'General case' 0 C--N 1.297 -1.68 0 O-C-N 120.81 -1.181 . . . . 0.0 109.168 179.201 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -60.04 -40.37 89.17 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.303 -0.873 . . . . 0.0 108.729 179.757 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.551 ' O ' ' N ' ' A' ' 16' ' ' HIS . 15.3 t60 -61.67 -45.38 94.26 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.029 -1.044 . . . . 0.0 110.313 179.546 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -61.38 -43.79 98.26 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.041 -1.037 . . . . 0.0 110.96 -179.145 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 54.5 mtpt -61.42 -28.99 69.66 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.577 -0.702 . . . . 0.0 112.635 -178.331 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -139.77 -9.13 1.21 Allowed 'General case' 0 N--CA 1.506 2.35 0 O-C-N 120.818 -1.176 . . . . 0.0 112.154 -177.077 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.551 ' N ' ' O ' ' A' ' 12' ' ' HIS . 92.6 m-70 55.71 42.3 29.45 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.403 -1.436 . . . . 0.0 107.244 -177.707 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 84.8 p -65.04 160.26 21.35 Favored 'General case' 0 N--CA 1.484 1.23 0 O-C-N 121.351 -0.843 . . . . 0.0 110.375 -178.794 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -74.17 158.02 34.9 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.38 -0.825 . . . . 0.0 109.36 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 28.1 p-90 -57.14 -29.04 63.26 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.137 -0.977 . . . . 0.0 109.778 -179.625 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 77.6 mtm180 -64.24 -39.89 94.89 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.92 -1.113 . . . . 0.0 109.848 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.56 -50.0 60.56 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.642 -0.661 . . . . 0.0 109.396 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 79.0 mtm -60.67 -40.14 90.99 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.292 -0.88 . . . . 0.0 110.399 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -59.12 -44.42 92.01 Favored 'General case' 0 C--N 1.301 -1.538 0 C-N-CA 119.365 -0.934 . . . . 0.0 109.305 -179.282 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 13.7 m -71.5 -36.99 71.3 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.408 -0.807 . . . . 0.0 110.211 179.395 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -60.65 -39.99 90.4 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.321 -0.862 . . . . 0.0 110.316 -178.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -110.74 0.01 17.22 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.623 -0.673 . . . . 0.0 110.305 -179.259 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.442 ' N ' ' O ' ' A' ' 23' ' ' ALA . 53.4 m-20 55.85 49.61 15.7 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.263 -0.898 . . . . 0.0 109.981 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 86.9 mt -116.76 153.49 49.24 Favored Pre-proline 0 N--CA 1.504 2.242 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -59.46 161.43 17.29 Favored 'Trans proline' 0 N--CA 1.492 1.418 0 C-N-CA 121.68 1.587 . . . . 0.0 111.496 179.311 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_endo -56.62 -32.1 89.26 Favored 'Trans proline' 0 C--N 1.304 -1.815 0 C-N-CA 122.589 2.193 . . . . 0.0 111.52 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.545 HG11 HD11 ' B' ' 5' ' ' ILE . 46.6 t -58.26 -49.65 81.09 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.843 0 O-C-N 120.872 -1.142 . . . . 0.0 110.1 -178.451 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 59.7 t -66.28 -47.26 84.88 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.739 0 C-N-CA 118.646 -1.221 . . . . 0.0 109.203 -178.637 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.48 -48.13 76.37 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.158 -0.964 . . . . 0.0 109.984 179.648 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.1 mtpm? -61.45 -35.42 77.56 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.089 -1.007 . . . . 0.0 110.726 -179.517 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.8 tm-20 -60.25 -38.39 83.3 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 120.979 -1.076 . . . . 0.0 109.466 -178.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 72.0 mt -60.46 -39.68 81.89 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 120.929 -1.107 . . . . 0.0 108.668 179.165 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 94.8 t -62.96 -38.22 81.39 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.61 0 O-C-N 121.492 -0.755 . . . . 0.0 108.994 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.26 -31.62 70.39 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.507 -0.746 . . . . 0.0 109.708 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.4 m -81.56 -23.06 37.4 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.149 -0.969 . . . . 0.0 110.875 -178.762 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 43.7 t -82.78 104.27 12.89 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.088 -1.008 . . . . 0.0 108.956 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -60.24 -30.38 69.38 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.398 -0.814 . . . . 0.0 110.405 -179.397 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -71.26 -40.17 71.13 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.164 -0.96 . . . . 0.0 111.404 -178.814 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 90.0 m -86.77 -17.97 32.23 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.001 -1.062 . . . . 0.0 110.138 -179.554 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 . . . . . 0 N--CA 1.493 1.676 0 O-C-N 120.954 -1.091 . . . . 0.0 108.786 -179.777 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 1' ' ' PHE . . . . . 0.402 ' O ' HD12 ' B' ' 5' ' ' ILE . 74.2 m-85 . . . . . 0 N--CA 1.49 1.559 0 CA-C-O 121.311 0.577 . . . . 0.0 110.011 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 13.8 mt -74.05 -35.66 64.3 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.543 -0.723 . . . . 0.0 111.96 -178.054 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -66.19 -44.07 85.01 Favored 'General case' 0 C--N 1.297 -1.686 0 O-C-N 120.828 -1.17 . . . . 0.0 111.046 -177.789 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.92 -44.72 45.61 Favored Glycine 0 N--CA 1.488 2.151 0 N-CA-C 109.385 -1.486 . . . . 0.0 109.385 -179.623 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 5' ' ' ILE . . . . . 0.545 HD11 HG11 ' A' ' 31' ' ' VAL . 94.3 mt -60.07 -40.03 82.1 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.733 0 O-C-N 121.618 -0.93 . . . . 0.0 110.699 -179.487 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -56.39 -48.46 76.84 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 120.524 -1.36 . . . . 0.0 109.079 -179.419 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 37.1 ttmt -68.11 -43.74 77.72 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.066 -1.021 . . . . 0.0 108.914 178.851 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.81 -36.86 85.71 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.312 -0.868 . . . . 0.0 109.828 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 60.8 tt0 -56.73 -40.54 75.89 Favored 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 119.631 -0.828 . . . . 0.0 109.375 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.73 -42.89 98.21 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.037 -1.039 . . . . 0.0 109.165 179.483 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -60.18 -39.89 88.05 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 12' ' ' HIS . . . . . 0.552 ' O ' ' N ' ' B' ' 16' ' ' HIS . 15.1 t60 -62.56 -44.66 95.79 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.141 -0.974 . . . . 0.0 109.852 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -62.08 -44.23 97.13 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.167 -0.958 . . . . 0.0 110.352 -179.524 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 57.0 mtpt -60.14 -30.17 69.12 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.418 -0.801 . . . . 0.0 113.101 -177.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -139.59 -8.51 1.26 Allowed 'General case' 0 N--CA 1.507 2.419 0 O-C-N 120.91 -1.119 . . . . 0.0 112.248 -176.831 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.552 ' N ' ' O ' ' B' ' 12' ' ' HIS . 92.7 m-70 55.22 43.06 29.88 Favored 'General case' 0 N--CA 1.497 1.924 0 N-CA-C 107.452 -1.314 . . . . 0.0 107.452 -177.169 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 84.7 p -64.55 159.46 21.65 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 121.48 -0.762 . . . . 0.0 110.267 -178.664 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -73.62 157.24 37.0 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.461 -0.774 . . . . 0.0 109.543 179.389 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 24.4 p-90 -56.17 -30.09 61.74 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.053 -1.029 . . . . 0.0 110.525 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 81.7 mtm180 -63.83 -40.3 96.27 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.855 -1.153 . . . . 0.0 109.618 179.688 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.17 -49.47 64.56 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.41 -0.806 . . . . 0.0 109.751 -179.473 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 77.9 mtm -60.18 -39.53 86.81 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.483 -0.761 . . . . 0.0 109.689 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.502 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -59.51 -46.76 87.91 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.248 -0.908 . . . . 0.0 109.619 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 15.2 m -69.97 -37.21 75.7 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.095 -1.003 . . . . 0.0 109.838 179.692 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -60.64 -40.83 93.41 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.372 -0.83 . . . . 0.0 110.548 -178.554 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -110.08 -0.14 18.13 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 121.425 -0.797 . . . . 0.0 109.851 179.732 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 27' ' ' ASN . . . . . 0.502 ' N ' ' O ' ' B' ' 23' ' ' ALA . 56.2 m-20 56.25 49.09 15.95 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.913 -1.117 . . . . 0.0 109.547 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 88.6 mt -115.91 152.74 47.88 Favored Pre-proline 0 N--CA 1.493 1.714 0 N-CA-C 107.873 -1.158 . . . . 0.0 107.873 179.424 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -59.52 162.79 14.15 Favored 'Trans proline' 0 C--N 1.311 -1.424 0 C-N-CA 121.536 1.491 . . . . 0.0 111.554 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -57.9 -32.06 94.16 Favored 'Trans proline' 0 C--N 1.304 -1.795 0 C-N-CA 122.368 2.045 . . . . 0.0 111.862 -179.612 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.491 HG11 HD11 ' A' ' 5' ' ' ILE . 48.6 t -57.97 -48.91 82.92 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.783 0 O-C-N 121.053 -1.029 . . . . 0.0 110.097 -178.794 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 59.5 t -66.07 -47.96 83.17 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.615 0 C-N-CA 118.765 -1.174 . . . . 0.0 109.406 -178.527 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.73 -47.23 79.04 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.301 -0.874 . . . . 0.0 109.971 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 10.4 mtpm? -61.33 -36.48 80.27 Favored 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 119.29 -0.964 . . . . 0.0 110.275 -179.349 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 -60.09 -38.68 83.65 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.009 -1.057 . . . . 0.0 109.76 -178.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 78.2 mt -59.76 -40.37 82.31 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.412 0 O-C-N 120.963 -1.086 . . . . 0.0 108.797 179.187 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 94.5 t -62.31 -39.22 83.37 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.477 0 O-C-N 121.564 -0.71 . . . . 0.0 109.203 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.66 -32.12 70.17 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.411 -0.806 . . . . 0.0 109.707 179.766 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 57.9 m -80.82 -22.75 39.73 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.293 -0.88 . . . . 0.0 110.508 -179.397 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 44.3 t -82.91 103.58 12.49 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.817 -1.177 . . . . 0.0 109.513 -179.739 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -60.12 -30.13 69.07 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.097 -1.002 . . . . 0.0 110.416 -179.455 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -71.31 -40.47 70.79 Favored 'General case' 0 N--CA 1.495 1.818 0 C-N-CA 119.203 -0.999 . . . . 0.0 110.931 -178.09 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 97.8 m -85.66 -19.67 30.58 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 120.739 -1.226 . . . . 0.0 109.857 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 . . . . . 0 C--N 1.298 -1.661 0 O-C-N 121.169 -0.957 . . . . 0.0 109.397 -179.147 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 121.473 0.654 . . . . 0.0 109.881 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 15.3 mt -69.98 -34.7 73.71 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.107 -0.996 . . . . 0.0 111.746 -178.287 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -61.51 -46.3 90.56 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.678 -1.264 . . . . 0.0 110.621 -178.662 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.63 -46.4 31.56 Favored Glycine 0 N--CA 1.494 2.515 0 N-CA-C 109.416 -1.474 . . . . 0.0 109.416 179.635 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.463 ' O ' ' N ' ' A' ' 9' ' ' GLN . 78.2 mt -58.69 -39.98 78.04 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.512 0 O-C-N 121.501 -0.999 . . . . 0.0 109.798 -179.702 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 58.7 t0 -56.61 -46.46 80.88 Favored 'General case' 0 C--N 1.301 -1.503 0 C-N-CA 118.635 -1.226 . . . . 0.0 109.096 -179.691 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -69.51 -43.22 73.52 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.062 -1.024 . . . . 0.0 109.159 178.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.15 -36.95 84.47 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.237 -0.914 . . . . 0.0 109.579 179.075 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.463 ' N ' ' O ' ' A' ' 5' ' ' ILE . 60.4 tt0 -55.62 -40.43 72.11 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.273 -0.892 . . . . 0.0 109.052 -179.367 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 80.0 tt0 -60.02 -41.13 91.53 Favored 'General case' 0 C--N 1.304 -1.387 0 C-N-CA 119.381 -0.927 . . . . 0.0 108.986 179.544 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -61.47 -39.72 91.92 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.147 -0.97 . . . . 0.0 108.923 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.534 ' O ' ' N ' ' A' ' 16' ' ' HIS . 15.2 t60 -61.73 -43.77 98.2 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.098 -1.001 . . . . 0.0 109.777 179.28 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -60.16 -44.26 95.16 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.157 -0.964 . . . . 0.0 110.166 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 46.8 mtmt -61.5 -32.02 72.04 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.418 -0.802 . . . . 0.0 112.964 -178.597 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -138.27 -4.47 1.68 Allowed 'General case' 0 N--CA 1.506 2.327 0 O-C-N 120.541 -1.349 . . . . 0.0 112.845 -176.329 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.534 ' N ' ' O ' ' A' ' 12' ' ' HIS . 89.8 m-70 53.87 41.24 32.11 Favored 'General case' 0 N--CA 1.493 1.713 0 N-CA-C 107.578 -1.268 . . . . 0.0 107.578 -177.67 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 89.1 p -60.84 155.44 19.58 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.643 -0.661 . . . . 0.0 111.122 -178.34 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -71.32 159.21 34.99 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 108.863 -0.792 . . . . 0.0 108.863 179.235 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 41.8 p-90 -58.59 -30.79 67.47 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.158 -0.964 . . . . 0.0 110.385 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -63.45 -41.45 98.64 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.841 -1.162 . . . . 0.0 109.889 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.71 -47.79 71.26 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.316 -0.865 . . . . 0.0 109.883 -179.644 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 77.7 mtm -61.09 -39.47 90.03 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.104 -0.997 . . . . 0.0 109.331 179.544 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.521 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -57.35 -48.25 79.5 Favored 'General case' 0 C--N 1.303 -1.424 0 C-N-CA 119.552 -0.859 . . . . 0.0 109.242 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 20.4 t -70.05 -36.4 74.99 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.402 -0.811 . . . . 0.0 110.42 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -60.57 -40.23 90.92 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.25 -0.906 . . . . 0.0 110.174 -178.526 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -113.45 2.49 15.43 Favored 'General case' 0 N--CA 1.505 2.278 0 O-C-N 121.35 -0.844 . . . . 0.0 110.305 179.726 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.521 ' N ' ' O ' ' A' ' 23' ' ' ALA . 62.7 m-20 55.62 50.34 14.64 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.296 -0.877 . . . . 0.0 110.123 179.785 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 75.3 mt -115.49 151.85 46.46 Favored Pre-proline 0 N--CA 1.503 2.211 0 O-C-N 121.334 -0.854 . . . . 0.0 108.761 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_endo -61.16 150.83 82.64 Favored 'Trans proline' 0 N--CA 1.493 1.489 0 C-N-CA 121.938 1.759 . . . . 0.0 111.882 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -43.7 -41.22 11.35 Favored 'Trans proline' 0 C--N 1.313 -1.302 0 C-N-CA 122.202 1.935 . . . . 0.0 112.441 179.717 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 88.5 t -51.67 -50.24 31.86 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.913 0 O-C-N 121.138 -0.976 . . . . 0.0 110.441 -178.713 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 63.6 t -64.89 -48.61 83.55 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.646 0 C-N-CA 118.255 -1.378 . . . . 0.0 109.307 -178.857 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.58 -46.04 80.92 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.512 -0.743 . . . . 0.0 110.506 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 42.3 mtmt -62.44 -34.58 77.06 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 120.796 -1.19 . . . . 0.0 109.502 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.0 tm-20 -61.05 -39.32 89.37 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.135 -0.978 . . . . 0.0 109.725 -179.369 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 50.7 mt -59.36 -39.98 80.36 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 179.361 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 93.7 t -62.96 -39.63 85.87 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 O-C-N 121.357 -0.839 . . . . 0.0 108.791 179.169 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.72 -31.98 70.11 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.385 -0.822 . . . . 0.0 108.942 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.8 m -76.04 -29.14 57.96 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.531 -0.73 . . . . 0.0 109.413 179.602 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 51.4 t -82.62 103.76 12.38 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.368 -0.833 . . . . 0.0 109.492 179.63 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -61.66 -29.96 70.41 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.415 -0.803 . . . . 0.0 110.442 -179.622 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 60.8 mttp -70.06 -40.55 75.01 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.035 -1.04 . . . . 0.0 110.583 -179.036 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 99.6 m -85.7 -30.96 22.75 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 120.99 -1.069 . . . . 0.0 110.914 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.499 HE21 ' CD ' ' B' ' 44' ' ' GLN . 39.6 tt0 . . . . . 0 N--CA 1.496 1.852 0 O-C-N 120.969 -1.082 . . . . 0.0 110.897 -178.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 44.5 m-85 . . . . . 0 N--CA 1.49 1.555 0 CA-C-O 121.554 0.693 . . . . 0.0 109.902 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 16.3 mt -70.57 -34.25 72.0 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.304 -0.872 . . . . 0.0 111.663 -178.251 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -62.33 -45.8 91.59 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 120.567 -1.333 . . . . 0.0 110.632 -178.708 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.68 -46.03 26.0 Favored Glycine 0 N--CA 1.493 2.441 0 N-CA-C 109.375 -1.49 . . . . 0.0 109.375 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 5' ' ' ILE . . . . . 0.497 ' O ' ' N ' ' B' ' 9' ' ' GLN . 81.0 mt -58.24 -39.44 73.6 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.642 0 O-C-N 121.355 -1.085 . . . . 0.0 110.055 -179.725 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 61.5 t0 -57.62 -45.63 85.13 Favored 'General case' 0 C--N 1.301 -1.502 0 C-N-CA 119.139 -1.024 . . . . 0.0 108.956 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -69.52 -43.35 73.24 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.953 -1.092 . . . . 0.0 108.981 178.597 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.27 -36.82 83.97 Favored 'General case' 0 N--CA 1.486 1.369 0 O-C-N 121.256 -0.903 . . . . 0.0 109.324 179.527 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 9' ' ' GLN . . . . . 0.497 ' N ' ' O ' ' B' ' 5' ' ' ILE . 58.4 tt0 -55.83 -40.22 72.51 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.424 -0.797 . . . . 0.0 109.002 -179.334 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -60.07 -40.92 91.16 Favored 'General case' 0 C--N 1.3 -1.545 0 C-N-CA 119.392 -0.923 . . . . 0.0 109.023 179.369 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -61.78 -40.01 93.69 Favored 'General case' 0 N--CA 1.489 1.498 0 C-N-CA 119.145 -1.022 . . . . 0.0 109.095 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 12' ' ' HIS . . . . . 0.524 ' O ' ' N ' ' B' ' 16' ' ' HIS . 14.9 t60 -61.58 -42.4 98.8 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.009 -1.057 . . . . 0.0 109.626 179.4 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -60.63 -45.22 94.89 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.054 -1.029 . . . . 0.0 110.169 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 47.4 mtmt -61.25 -31.32 71.12 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.443 -0.786 . . . . 0.0 112.87 -178.582 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 47.2 m-85 -139.21 -3.98 1.53 Allowed 'General case' 0 N--CA 1.505 2.301 0 O-C-N 120.607 -1.308 . . . . 0.0 112.708 -176.228 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.524 ' N ' ' O ' ' B' ' 12' ' ' HIS . 90.1 m-70 54.04 40.62 31.81 Favored 'General case' 0 N--CA 1.493 1.677 0 N-CA-C 107.749 -1.204 . . . . 0.0 107.749 -178.031 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 90.7 p -60.08 155.86 16.2 Favored 'General case' 0 C--N 1.301 -1.529 0 CA-C-O 121.652 0.739 . . . . 0.0 111.189 -178.327 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -72.35 157.95 36.71 Favored 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 179.292 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 42.6 p-90 -57.05 -30.95 64.69 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.127 -0.983 . . . . 0.0 110.455 -179.639 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -63.37 -41.73 98.82 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.948 -1.095 . . . . 0.0 109.934 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.9 -47.07 72.93 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.403 -0.811 . . . . 0.0 109.842 -179.491 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 77.7 mtm -61.47 -39.91 92.61 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.038 -1.039 . . . . 0.0 109.198 179.503 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.514 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -56.69 -48.71 77.07 Favored 'General case' 0 C--N 1.3 -1.57 0 C-N-CA 119.623 -0.831 . . . . 0.0 109.186 179.815 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 19.8 t -70.22 -36.05 74.28 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.306 -0.871 . . . . 0.0 110.492 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -60.73 -39.97 90.63 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.215 -0.928 . . . . 0.0 110.464 -178.813 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -114.44 1.96 14.51 Favored 'General case' 0 N--CA 1.503 2.211 0 O-C-N 121.6 -0.687 . . . . 0.0 110.191 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 27' ' ' ASN . . . . . 0.514 ' N ' ' O ' ' B' ' 23' ' ' ALA . 67.8 m-20 56.11 50.61 13.29 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.445 -0.785 . . . . 0.0 110.228 179.782 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 70.2 mt -115.97 151.6 46.68 Favored Pre-proline 0 N--CA 1.503 2.216 0 N-CA-C 108.52 -0.919 . . . . 0.0 108.52 179.662 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo -61.75 150.85 84.1 Favored 'Trans proline' 0 N--CA 1.497 1.693 0 C-N-CA 121.942 1.761 . . . . 0.0 111.996 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -43.17 -40.57 9.25 Favored 'Trans proline' 0 N--CA 1.489 1.226 0 C-N-CA 122.032 1.822 . . . . 0.0 112.308 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 86.7 t -51.89 -50.64 32.61 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 121.218 -0.926 . . . . 0.0 110.418 -178.617 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 62.6 t -64.77 -48.95 82.4 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.737 0 C-N-CA 118.33 -1.348 . . . . 0.0 109.476 -179.086 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.22 -45.8 83.24 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 121.416 -0.802 . . . . 0.0 110.639 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 42.0 mtmt -62.49 -34.12 76.22 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.036 -1.04 . . . . 0.0 109.777 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 13.2 tm-20 -61.91 -38.48 88.54 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.166 -0.958 . . . . 0.0 110.006 -179.419 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 45.9 mt -60.28 -39.78 81.82 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 N-CA-C 107.619 -1.252 . . . . 0.0 107.619 179.539 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 80.9 t -62.98 -39.92 87.03 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 179.175 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 38' ' ' ALA . . . . . 0.484 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -59.5 -32.17 70.03 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 179.4 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 51.8 m -76.0 -28.94 57.99 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.48 -0.763 . . . . 0.0 109.336 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 45.0 t -83.4 104.68 13.74 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.253 -0.904 . . . . 0.0 109.397 179.656 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -62.2 -29.68 70.54 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.327 -0.858 . . . . 0.0 110.518 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -70.01 -40.92 74.96 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.886 -1.134 . . . . 0.0 110.559 -178.699 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 94.2 m -85.13 -31.85 23.08 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.776 -1.202 . . . . 0.0 110.767 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 44' ' ' GLN . . . . . 0.499 ' CD ' HE21 ' A' ' 44' ' ' GLN . 5.8 tt0 . . . . . 0 N--CA 1.499 2.023 0 O-C-N 120.828 -1.17 . . . . 0.0 111.055 -178.769 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 1' ' ' PHE . . . . . 0.423 ' CE2' ' CE2' ' B' ' 1' ' ' PHE . 60.4 m-85 . . . . . 0 N--CA 1.492 1.639 0 CA-C-O 121.472 0.653 . . . . 0.0 109.764 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 20.2 mt -70.27 -35.19 73.6 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.202 -0.937 . . . . 0.0 111.114 -178.033 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -64.04 -45.72 87.6 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.868 -1.145 . . . . 0.0 110.774 -178.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.15 -41.96 52.29 Favored Glycine 0 N--CA 1.492 2.377 0 N-CA-C 109.338 -1.505 . . . . 0.0 109.338 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.417 HD12 ' O ' ' A' ' 1' ' ' PHE . 72.6 mt -60.42 -39.19 80.31 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.374 -1.074 . . . . 0.0 109.867 179.536 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 47.1 t0 -56.08 -48.27 76.42 Favored 'General case' 0 C--N 1.303 -1.417 0 C-N-CA 119.116 -1.034 . . . . 0.0 108.919 -179.068 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -69.12 -40.92 78.0 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.79 -1.194 . . . . 0.0 109.317 178.778 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.6 -40.24 88.77 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.351 -0.843 . . . . 0.0 109.856 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -55.65 -40.41 72.18 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.256 -0.902 . . . . 0.0 109.637 -179.24 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -62.24 -40.18 95.28 Favored 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 119.521 -0.872 . . . . 0.0 109.239 179.327 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -61.4 -40.63 95.09 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.064 -1.022 . . . . 0.0 108.677 179.465 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.535 ' O ' ' N ' ' A' ' 16' ' ' HIS . 12.8 t60 -60.22 -46.84 88.38 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.336 -0.853 . . . . 0.0 110.091 179.614 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -60.05 -42.97 95.61 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.346 -0.846 . . . . 0.0 110.905 -179.636 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.5 mtpp -61.7 -32.38 72.58 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.329 -0.857 . . . . 0.0 112.479 -178.121 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 -139.36 -3.97 1.5 Allowed 'General case' 0 N--CA 1.506 2.362 0 O-C-N 120.727 -1.233 . . . . 0.0 112.835 -176.534 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.535 ' N ' ' O ' ' A' ' 12' ' ' HIS . 81.3 m-70 54.55 44.28 28.98 Favored 'General case' 0 N--CA 1.499 1.979 0 N-CA-C 107.004 -1.48 . . . . 0.0 107.004 -177.422 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 91.8 p -67.49 157.01 35.26 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.605 -0.684 . . . . 0.0 110.307 -178.477 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 36.0 m120 -73.52 158.65 34.48 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.355 -0.841 . . . . 0.0 109.055 179.413 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 55.3 p-90 -57.76 -30.54 65.69 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.355 -0.841 . . . . 0.0 110.302 -179.485 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 79.3 mtm180 -61.29 -39.85 91.96 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.835 -1.166 . . . . 0.0 109.554 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.08 -49.37 57.94 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.697 -0.627 . . . . 0.0 110.321 -179.515 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 79.3 mtm -60.6 -39.23 87.37 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.051 -1.031 . . . . 0.0 109.631 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.559 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -57.19 -47.74 80.5 Favored 'General case' 0 C--N 1.299 -1.613 0 C-N-CA 119.505 -0.878 . . . . 0.0 109.57 -179.667 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 18.3 t -68.27 -36.41 79.37 Favored 'General case' 0 C--N 1.298 -1.672 0 O-C-N 121.181 -0.949 . . . . 0.0 110.04 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -59.88 -40.03 87.29 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.279 -0.888 . . . . 0.0 110.428 -178.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -114.43 1.6 14.42 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.38 -0.825 . . . . 0.0 110.121 -179.385 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.559 ' N ' ' O ' ' A' ' 23' ' ' ALA . 85.9 m-20 56.12 45.09 24.12 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.411 -0.806 . . . . 0.0 110.168 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 61.0 mt -107.77 150.98 40.94 Favored Pre-proline 0 N--CA 1.503 2.224 0 O-C-N 121.176 -0.953 . . . . 0.0 108.473 179.39 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -61.78 149.76 88.68 Favored 'Trans proline' 0 N--CA 1.489 1.234 0 C-N-CA 121.526 1.484 . . . . 0.0 111.325 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -42.75 -38.43 6.59 Favored 'Trans proline' 0 C--N 1.313 -1.309 0 C-N-CA 122.315 2.01 . . . . 0.0 113.171 -179.374 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.435 HG11 HD11 ' B' ' 5' ' ' ILE . 59.2 t -54.09 -50.91 51.46 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.943 0 O-C-N 120.949 -1.095 . . . . 0.0 110.231 -177.557 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 57.7 t -64.19 -48.21 86.65 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.736 0 C-N-CA 118.739 -1.184 . . . . 0.0 109.339 -178.584 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.89 -45.28 82.58 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.46 -0.775 . . . . 0.0 109.692 179.631 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 53.4 mtpt -60.25 -37.37 80.18 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.111 -0.993 . . . . 0.0 110.491 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.6 tm-20 -60.53 -39.47 87.98 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.821 -1.174 . . . . 0.0 110.349 -179.469 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 89.6 mt -60.02 -39.54 80.57 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.493 0 O-C-N 120.65 -1.281 . . . . 0.0 107.751 178.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 92.9 t -66.05 -39.4 84.4 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.397 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 178.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.29 -38.11 76.37 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.773 -0.579 . . . . 0.0 110.661 -179.699 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 47.4 m -77.24 -22.79 51.69 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.417 -0.802 . . . . 0.0 109.597 -179.212 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 45.4 t -81.05 98.77 8.13 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.27 -0.894 . . . . 0.0 109.195 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -60.83 -28.9 69.16 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.597 -0.69 . . . . 0.0 110.442 -179.764 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 60.8 mttm -68.85 -39.68 79.77 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 120.963 -1.085 . . . . 0.0 110.423 -178.229 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 57.6 m -83.45 -51.87 7.0 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 120.903 -1.123 . . . . 0.0 110.34 -179.665 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.404 ' OE1' ' OE1' ' B' ' 44' ' ' GLN . 42.9 tt0 . . . . . 0 N--CA 1.494 1.752 0 O-C-N 120.926 -1.109 . . . . 0.0 110.083 -179.356 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 1' ' ' PHE . . . . . 0.474 ' O ' HD12 ' B' ' 5' ' ' ILE . 58.1 m-85 . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 121.545 0.688 . . . . 0.0 109.458 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 19.2 mt -70.52 -34.99 72.92 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.341 -0.849 . . . . 0.0 110.879 -178.833 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -64.27 -45.5 87.79 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.821 -1.174 . . . . 0.0 110.837 -178.681 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.39 -41.49 52.1 Favored Glycine 0 N--CA 1.492 2.411 0 N-CA-C 109.289 -1.524 . . . . 0.0 109.289 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 5' ' ' ILE . . . . . 0.474 HD12 ' O ' ' B' ' 1' ' ' PHE . 67.3 mt -60.12 -39.63 81.05 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.438 0 O-C-N 121.359 -1.083 . . . . 0.0 109.807 179.618 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 46.7 t0 -55.85 -49.02 74.46 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.036 -1.04 . . . . 0.0 109.017 -178.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -68.99 -40.36 78.82 Favored 'General case' 0 C--N 1.3 -1.581 0 C-N-CA 118.453 -1.299 . . . . 0.0 109.428 178.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.63 -38.12 83.45 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.097 -1.002 . . . . 0.0 109.779 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 9' ' ' GLN . . . . . 0.421 ' N ' ' O ' ' B' ' 5' ' ' ILE . 60.4 tt0 -56.27 -41.22 75.47 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.144 -0.973 . . . . 0.0 109.628 -179.477 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 78.9 tt0 -61.75 -41.08 97.21 Favored 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 119.618 -0.833 . . . . 0.0 108.906 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 23.6 tp10 -60.28 -39.83 88.26 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.041 -1.037 . . . . 0.0 108.557 179.682 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 12' ' ' HIS . . . . . 0.529 ' O ' ' N ' ' B' ' 16' ' ' HIS . 16.5 t60 -60.62 -47.59 85.55 Favored 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 119.917 -0.713 . . . . 0.0 109.494 179.45 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -60.24 -43.72 95.85 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.375 -0.828 . . . . 0.0 110.718 -178.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 25.3 mtpp -60.52 -32.67 71.68 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.193 -0.942 . . . . 0.0 112.736 -178.48 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -139.66 -3.21 1.49 Allowed 'General case' 0 N--CA 1.505 2.297 0 O-C-N 120.723 -1.235 . . . . 0.0 112.88 -176.654 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.529 ' N ' ' O ' ' B' ' 12' ' ' HIS . 82.2 m-70 54.17 45.46 27.36 Favored 'General case' 0 N--CA 1.498 1.932 0 N-CA-C 106.871 -1.529 . . . . 0.0 106.871 -177.435 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 96.3 p -69.49 154.12 42.49 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.544 -0.723 . . . . 0.0 110.248 -178.333 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 35.7 m120 -70.4 158.51 35.86 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.302 -0.874 . . . . 0.0 108.973 179.525 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 56.9 p-90 -57.29 -31.65 65.85 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.351 -0.843 . . . . 0.0 110.503 -179.334 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 80.1 mtm180 -60.51 -39.24 87.05 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.143 -0.973 . . . . 0.0 109.817 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.69 -50.3 45.15 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.229 -0.919 . . . . 0.0 109.905 -179.59 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 79.4 mtm -59.99 -39.46 85.8 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.127 -0.983 . . . . 0.0 109.455 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.519 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -57.83 -46.37 84.82 Favored 'General case' 0 C--N 1.303 -1.421 0 C-N-CA 119.266 -0.974 . . . . 0.0 109.409 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 24.9 t -69.64 -36.34 76.02 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.224 -0.923 . . . . 0.0 110.058 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -60.01 -40.2 88.43 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.132 -0.98 . . . . 0.0 110.295 -179.033 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -113.1 0.13 14.87 Favored 'General case' 0 N--CA 1.505 2.297 0 O-C-N 121.308 -0.87 . . . . 0.0 110.448 -179.303 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 27' ' ' ASN . . . . . 0.519 ' N ' ' O ' ' B' ' 23' ' ' ALA . 78.0 m-20 56.86 46.65 19.36 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.42 -0.8 . . . . 0.0 110.272 179.792 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 68.4 mt -109.76 151.24 42.21 Favored Pre-proline 0 N--CA 1.496 1.852 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 179.322 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -61.12 151.09 81.11 Favored 'Trans proline' 0 C--N 1.309 -1.531 0 C-N-CA 121.439 1.426 . . . . 0.0 111.262 179.662 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_exo -44.26 -37.78 10.5 Favored 'Trans proline' 0 C--N 1.311 -1.405 0 C-N-CA 122.421 2.081 . . . . 0.0 112.728 -179.652 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 49.8 t -54.53 -49.83 63.21 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.781 0 O-C-N 121.156 -0.965 . . . . 0.0 110.488 -177.73 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 63.4 t -65.25 -47.5 87.09 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.763 0 C-N-CA 118.44 -1.304 . . . . 0.0 109.575 -178.846 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.41 -44.36 83.19 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.454 -0.779 . . . . 0.0 109.904 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 56.0 mtpt -61.98 -37.16 83.76 Favored 'General case' 0 C--N 1.306 -1.312 0 O-C-N 121.288 -0.883 . . . . 0.0 110.632 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 16.7 tm-20 -59.85 -39.91 86.78 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.785 -1.197 . . . . 0.0 109.767 -179.344 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 91.4 mt -59.7 -40.28 81.93 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 O-C-N 120.782 -1.199 . . . . 0.0 108.175 179.036 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 86.9 t -65.69 -38.7 82.91 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 178.59 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.05 -38.37 79.19 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.577 -0.702 . . . . 0.0 109.883 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 26.4 m -76.41 -23.17 54.0 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.03 -1.044 . . . . 0.0 109.53 -179.441 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 53.1 t -80.38 99.61 8.03 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.122 -0.986 . . . . 0.0 109.048 179.677 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -61.48 -30.03 70.35 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.615 -0.678 . . . . 0.0 110.095 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 62.4 mttm -68.11 -38.13 81.91 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.028 -1.045 . . . . 0.0 110.531 -178.424 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 54.1 m -84.17 -53.63 5.38 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.932 -1.105 . . . . 0.0 110.333 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 44' ' ' GLN . . . . . 0.404 ' OE1' ' OE1' ' A' ' 44' ' ' GLN . 44.2 tt0 . . . . . 0 C--N 1.3 -1.558 0 O-C-N 120.847 -1.158 . . . . 0.0 109.715 -179.023 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 1' ' ' PHE . . . . . 0.442 ' O ' HD12 ' A' ' 5' ' ' ILE . 91.1 m-85 . . . . . 0 N--CA 1.49 1.544 0 CA-C-O 121.567 0.699 . . . . 0.0 109.54 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 23.1 mt -75.91 -41.83 50.72 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.501 -0.749 . . . . 0.0 110.994 -178.656 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 58.9 t0 -65.36 -50.01 67.19 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.878 -1.139 . . . . 0.0 110.459 -178.823 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.78 -48.95 66.43 Favored Glycine 0 N--CA 1.494 2.563 0 N-CA-C 109.975 -1.25 . . . . 0.0 109.975 -179.32 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.515 HD11 HG11 ' B' ' 31' ' ' VAL . 77.6 mt -58.9 -39.67 78.29 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.13 -1.218 . . . . 0.0 110.361 -179.588 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -54.16 -46.17 72.22 Favored 'General case' 0 C--N 1.296 -1.737 0 O-C-N 120.491 -1.38 . . . . 0.0 108.946 -179.214 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -70.08 -42.75 72.37 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.911 -1.118 . . . . 0.0 109.583 178.271 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.39 -38.28 84.45 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.284 -0.885 . . . . 0.0 109.292 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.462 ' N ' ' O ' ' A' ' 5' ' ' ILE . 60.1 tt0 -57.44 -40.64 78.86 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.613 -0.679 . . . . 0.0 109.41 -179.671 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -61.13 -40.48 93.96 Favored 'General case' 0 C--N 1.301 -1.502 0 C-N-CA 118.992 -1.083 . . . . 0.0 108.836 179.393 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 15.2 tm-20 -62.44 -40.7 97.41 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.046 -1.034 . . . . 0.0 109.331 179.145 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.556 ' O ' ' N ' ' A' ' 16' ' ' HIS . 13.2 t60 -59.96 -44.16 94.59 Favored 'General case' 0 C--N 1.304 -1.401 0 C-N-CA 119.225 -0.99 . . . . 0.0 109.029 179.723 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -60.68 -45.64 93.41 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.839 -1.163 . . . . 0.0 110.934 -179.526 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 54.5 mtmt -60.47 -32.21 71.19 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.09 -1.006 . . . . 0.0 112.595 -178.314 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 45.3 m-85 -137.87 -4.98 1.73 Allowed 'General case' 0 N--CA 1.509 2.475 0 O-C-N 120.65 -1.281 . . . . 0.0 113.043 -177.04 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.556 ' N ' ' O ' ' A' ' 12' ' ' HIS . 92.7 m-70 54.71 42.72 31.01 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 120.503 -1.373 . . . . 0.0 107.511 -177.788 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 78.6 p -63.89 158.01 23.27 Favored 'General case' 0 C--N 1.297 -1.689 0 CA-C-O 121.504 0.669 . . . . 0.0 110.73 -178.232 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 -74.31 159.03 32.97 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.594 -0.691 . . . . 0.0 109.261 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 38.6 p-90 -57.71 -29.79 64.99 Favored 'General case' 0 C--N 1.303 -1.432 0 C-N-CA 119.33 -0.948 . . . . 0.0 109.909 -179.695 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 80.4 mtm180 -63.87 -40.29 96.2 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 120.898 -1.126 . . . . 0.0 110.364 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.83 -47.81 61.34 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.125 -0.984 . . . . 0.0 108.984 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 78.2 mtm -61.05 -40.23 92.86 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.316 -0.865 . . . . 0.0 109.447 179.724 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.5 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -59.63 -45.87 90.67 Favored 'General case' 0 N--CA 1.492 1.626 0 C-N-CA 119.513 -0.875 . . . . 0.0 109.174 179.569 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 43.6 t -70.76 -37.16 73.38 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.506 -0.746 . . . . 0.0 110.249 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -60.24 -39.31 86.24 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.258 -0.901 . . . . 0.0 109.962 -178.397 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -111.51 -2.52 15.47 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.566 -0.709 . . . . 0.0 110.045 -179.57 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.5 ' N ' ' O ' ' A' ' 23' ' ' ALA . 11.1 t-20 59.74 47.09 10.79 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.639 -0.663 . . . . 0.0 109.562 179.82 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 53.0 mt -113.62 152.15 45.18 Favored Pre-proline 0 N--CA 1.502 2.157 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 179.353 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -60.13 149.39 85.16 Favored 'Trans proline' 0 C--N 1.312 -1.345 0 C-N-CA 121.65 1.566 . . . . 0.0 111.509 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -41.19 -37.7 2.99 Favored 'Trans proline' 0 C--N 1.31 -1.455 0 C-N-CA 121.922 1.748 . . . . 0.0 111.854 178.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.55 HG11 HD11 ' B' ' 5' ' ' ILE . 98.4 t -50.49 -51.83 17.66 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.766 0 O-C-N 121.264 -0.897 . . . . 0.0 110.747 -177.745 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 58.1 t -66.32 -48.54 80.66 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.937 0 C-N-CA 118.545 -1.262 . . . . 0.0 109.327 -178.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.54 -46.69 84.8 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.281 -0.887 . . . . 0.0 110.491 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 43.7 mtmt -60.52 -37.44 81.18 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 120.895 -1.128 . . . . 0.0 110.199 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.2 tm-20 -60.81 -39.97 90.95 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.012 -1.055 . . . . 0.0 110.107 -178.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 50.0 mt -59.72 -39.74 80.54 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 O-C-N 120.789 -1.194 . . . . 0.0 108.702 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 59.8 t -63.68 -39.66 86.17 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.029 -1.045 . . . . 0.0 108.506 179.481 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.414 ' O ' ' OE1' ' A' ' 44' ' ' GLN . . . -60.65 -31.18 70.4 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.521 -0.737 . . . . 0.0 109.344 179.015 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 68.5 m -77.09 -28.19 54.43 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.277 -0.89 . . . . 0.0 109.864 -179.213 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 43.0 t -82.25 103.11 11.6 Favored 'General case' 0 N--CA 1.486 1.365 0 O-C-N 121.273 -0.892 . . . . 0.0 109.899 -179.629 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -60.57 -29.96 69.51 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.458 -0.776 . . . . 0.0 110.023 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 64.1 mttp -69.97 -39.53 75.9 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.939 -1.101 . . . . 0.0 110.703 -178.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 62.1 m -84.99 -30.1 24.47 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.705 -1.247 . . . . 0.0 109.639 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.549 ' NE2' ' OE1' ' B' ' 44' ' ' GLN . 55.5 tt0 . . . . . 0 N--CA 1.492 1.648 0 O-C-N 121.062 -1.024 . . . . 0.0 110.212 -179.239 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 1' ' ' PHE . . . . . 0.466 ' O ' HD12 ' B' ' 5' ' ' ILE . 88.3 m-85 . . . . . 0 N--CA 1.488 1.455 0 CA-C-O 121.511 0.672 . . . . 0.0 109.55 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 23.5 mt -76.45 -42.83 42.51 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.58 -0.7 . . . . 0.0 110.649 -179.016 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 57.2 t0 -63.27 -52.05 63.64 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.067 -1.021 . . . . 0.0 110.518 -178.791 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.61 -49.53 72.59 Favored Glycine 0 N--CA 1.495 2.592 0 N-CA-C 110.205 -1.158 . . . . 0.0 110.205 -179.245 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 5' ' ' ILE . . . . . 0.55 HD11 HG11 ' A' ' 31' ' ' VAL . 79.1 mt -58.87 -38.74 74.8 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.279 -1.13 . . . . 0.0 110.337 -179.579 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -54.68 -45.7 73.96 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 120.669 -1.269 . . . . 0.0 108.759 -179.467 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -70.36 -42.53 71.68 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.043 -1.036 . . . . 0.0 109.658 178.531 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.06 -38.89 82.95 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.312 -0.868 . . . . 0.0 109.563 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 9' ' ' GLN . . . . . 0.415 ' N ' ' O ' ' B' ' 5' ' ' ILE . 59.2 tt0 -57.41 -40.44 78.3 Favored 'General case' 0 C--N 1.298 -1.649 0 O-C-N 121.268 -0.895 . . . . 0.0 109.131 -179.749 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -61.14 -41.31 96.5 Favored 'General case' 0 C--N 1.302 -1.496 0 C-N-CA 119.093 -1.043 . . . . 0.0 108.605 179.126 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 15.2 tm-20 -61.73 -40.69 95.96 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.217 -0.927 . . . . 0.0 109.211 179.26 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 12' ' ' HIS . . . . . 0.512 ' O ' ' N ' ' B' ' 16' ' ' HIS . 12.7 t60 -59.87 -43.46 94.71 Favored 'General case' 0 C--N 1.302 -1.492 0 C-N-CA 119.099 -1.04 . . . . 0.0 109.123 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -61.08 -45.75 93.45 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.093 -1.004 . . . . 0.0 111.068 -179.619 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 54.8 mtmt -60.74 -31.04 70.37 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.23 -0.919 . . . . 0.0 113.004 -178.319 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 48.1 m-85 -139.15 -5.05 1.47 Allowed 'General case' 0 N--CA 1.507 2.404 0 O-C-N 120.614 -1.304 . . . . 0.0 112.7 -176.846 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.512 ' N ' ' O ' ' B' ' 12' ' ' HIS . 91.8 m-70 54.35 42.05 31.64 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 120.629 -1.294 . . . . 0.0 107.9 -178.018 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 82.4 p -62.61 159.0 16.87 Favored 'General case' 0 C--N 1.297 -1.676 0 CA-C-O 121.573 0.702 . . . . 0.0 110.64 -178.602 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -75.31 159.39 31.53 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.493 -0.754 . . . . 0.0 109.61 179.549 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 32.5 p-90 -57.85 -30.06 65.48 Favored 'General case' 0 C--N 1.305 -1.365 0 C-N-CA 119.503 -0.879 . . . . 0.0 110.065 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 79.2 mtm180 -63.34 -40.66 97.91 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.12 -0.988 . . . . 0.0 110.053 179.581 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.69 -48.01 61.16 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.346 -0.846 . . . . 0.0 109.158 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 77.3 mtm -60.34 -40.73 91.75 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.431 -0.793 . . . . 0.0 109.221 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.517 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -58.95 -46.43 88.05 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.393 -0.817 . . . . 0.0 109.303 179.407 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 47.8 t -70.32 -37.65 74.76 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.54 -0.725 . . . . 0.0 110.261 179.719 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -59.89 -39.16 84.4 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.372 -0.83 . . . . 0.0 110.109 -178.468 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -112.24 -2.36 14.91 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.555 -0.715 . . . . 0.0 109.795 -179.613 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 27' ' ' ASN . . . . . 0.517 ' N ' ' O ' ' B' ' 23' ' ' ALA . 11.6 t-20 59.36 48.84 9.55 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.52 -0.738 . . . . 0.0 109.466 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 53.8 mt -115.03 152.48 46.62 Favored Pre-proline 0 N--CA 1.501 2.113 0 N-CA-C 108.412 -0.959 . . . . 0.0 108.412 179.605 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -60.35 150.18 81.87 Favored 'Trans proline' 0 C--N 1.313 -1.303 0 C-N-CA 121.518 1.479 . . . . 0.0 111.722 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -41.87 -37.79 4.37 Favored 'Trans proline' 0 C--N 1.308 -1.575 0 C-N-CA 121.885 1.723 . . . . 0.0 111.584 178.577 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.515 HG11 HD11 ' A' ' 5' ' ' ILE . 73.8 t -50.72 -51.97 18.15 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.622 0 O-C-N 121.19 -0.944 . . . . 0.0 110.916 -177.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 84.0 t -66.54 -48.19 81.23 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.015 0 C-N-CA 118.561 -1.256 . . . . 0.0 109.235 -179.338 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.61 -46.87 83.79 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.315 -0.866 . . . . 0.0 110.385 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 43.5 mtmt -60.94 -36.48 79.44 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.868 -1.145 . . . . 0.0 110.296 -179.711 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -60.78 -39.85 90.37 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 119.212 -0.995 . . . . 0.0 110.164 -178.562 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 50.9 mt -59.82 -40.1 81.73 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 O-C-N 120.871 -1.143 . . . . 0.0 108.76 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 58.2 t -63.24 -40.17 88.04 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.451 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 179.395 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 38' ' ' ALA . . . . . 0.548 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -60.73 -31.27 70.58 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.402 -0.811 . . . . 0.0 109.501 179.147 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 66.7 m -77.06 -28.18 54.59 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.238 -0.914 . . . . 0.0 109.63 -179.569 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 48.2 t -82.05 102.01 10.73 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.31 -0.869 . . . . 0.0 110.068 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -60.12 -29.94 68.95 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.424 -0.798 . . . . 0.0 110.212 179.674 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -69.63 -38.46 77.22 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 120.868 -1.145 . . . . 0.0 110.847 -178.769 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 60.0 m -85.93 -31.21 22.26 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.922 -1.111 . . . . 0.0 109.863 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 44' ' ' GLN . . . . . 0.549 ' OE1' ' NE2' ' A' ' 44' ' ' GLN . 6.7 tt0 . . . . . 0 N--CA 1.489 1.514 0 O-C-N 121.181 -0.95 . . . . 0.0 110.085 -178.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 1' ' ' PHE . . . . . 0.458 ' CE2' ' CE2' ' B' ' 1' ' ' PHE . 76.4 m-85 . . . . . 0 N--CA 1.49 1.538 0 CA-C-O 121.368 0.604 . . . . 0.0 110.214 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 14.1 mt -71.39 -35.56 71.09 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.275 -0.891 . . . . 0.0 111.245 -178.274 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 -62.77 -52.46 63.12 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.722 -1.236 . . . . 0.0 110.685 -178.803 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.04 -44.98 93.55 Favored Glycine 0 N--CA 1.49 2.264 0 N-CA-C 109.9 -1.28 . . . . 0.0 109.9 -179.511 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.505 HD11 HG11 ' B' ' 31' ' ' VAL . 87.2 mt -60.01 -39.55 80.6 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.471 0 O-C-N 121.267 -1.137 . . . . 0.0 110.945 -179.303 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -55.05 -45.71 75.3 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.035 -1.04 . . . . 0.0 108.942 -179.101 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 36.1 mtmm -69.6 -43.93 71.76 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 120.976 -1.078 . . . . 0.0 109.478 178.597 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.96 -34.2 77.57 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.321 -0.862 . . . . 0.0 109.57 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.415 ' N ' ' O ' ' A' ' 5' ' ' ILE . 56.1 tt0 -57.75 -42.25 83.56 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.061 -1.024 . . . . 0.0 108.902 -179.658 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -61.91 -40.75 96.56 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.386 -0.821 . . . . 0.0 109.046 179.421 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.2 tm-20 -61.16 -40.52 94.17 Favored 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 179.303 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.538 ' O ' ' N ' ' A' ' 16' ' ' HIS . 13.3 t60 -62.59 -46.54 87.85 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 120.019 -0.672 . . . . 0.0 110.192 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 78.5 tt0 -60.68 -42.62 97.47 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.237 -0.915 . . . . 0.0 110.616 -179.404 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -63.1 -30.62 71.74 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.33 -0.856 . . . . 0.0 112.621 -178.281 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -140.34 -4.67 1.28 Allowed 'General case' 0 N--CA 1.507 2.41 0 O-C-N 120.759 -1.213 . . . . 0.0 112.969 -176.672 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.538 ' N ' ' O ' ' A' ' 12' ' ' HIS . 90.7 m-70 54.52 45.19 27.5 Favored 'General case' 0 N--CA 1.495 1.809 0 N-CA-C 107.154 -1.424 . . . . 0.0 107.154 -177.514 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 95.1 p -65.86 156.16 34.18 Favored 'General case' 0 C--N 1.305 -1.336 0 CA-C-O 121.36 0.6 . . . . 0.0 110.363 -178.581 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -73.07 159.29 33.83 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.416 -0.803 . . . . 0.0 108.918 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 42.2 p-90 -56.9 -29.43 63.02 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.303 -0.873 . . . . 0.0 110.225 -179.693 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 72.3 mtm180 -62.61 -40.6 97.47 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.621 -1.299 . . . . 0.0 109.823 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.16 -50.42 61.24 Favored 'General case' 0 C--N 1.3 -1.552 0 C-N-CA 119.694 -0.802 . . . . 0.0 109.59 -179.052 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 78.0 mtm -61.16 -40.66 94.69 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 121.33 -0.857 . . . . 0.0 109.35 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.483 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -58.02 -49.77 75.72 Favored 'General case' 0 C--N 1.303 -1.43 0 C-N-CA 119.521 -0.871 . . . . 0.0 109.231 179.739 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 42.7 t -70.41 -36.43 74.03 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.672 -0.642 . . . . 0.0 110.382 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -59.87 -40.42 88.6 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.261 -0.899 . . . . 0.0 110.524 -178.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -112.17 0.27 15.79 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 121.388 -0.82 . . . . 0.0 109.905 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.483 ' N ' ' O ' ' A' ' 23' ' ' ALA . 42.2 t30 60.01 46.28 11.09 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.233 -0.917 . . . . 0.0 109.937 179.619 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 51.0 mt -110.32 151.69 42.79 Favored Pre-proline 0 N--CA 1.5 2.065 0 N-CA-C 108.204 -1.036 . . . . 0.0 108.204 179.446 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 21.5 Cg_endo -60.9 162.29 19.38 Favored 'Trans proline' 0 N--CA 1.492 1.421 0 C-N-CA 121.776 1.65 . . . . 0.0 111.269 179.566 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_endo -56.42 -34.85 95.56 Favored 'Trans proline' 0 C--N 1.302 -1.901 0 C-N-CA 122.267 1.978 . . . . 0.0 111.974 -179.623 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.41 HG11 HD11 ' B' ' 5' ' ' ILE . 79.7 t -56.21 -49.44 76.2 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.618 0 O-C-N 120.839 -1.163 . . . . 0.0 109.649 -179.158 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 66.2 t -64.96 -49.3 80.38 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.781 0 C-N-CA 118.712 -1.195 . . . . 0.0 109.464 -179.085 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.16 -46.28 81.52 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.548 -0.72 . . . . 0.0 110.361 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.468 ' NZ ' ' CB ' ' A' ' 34' ' ' LYS . 8.4 mtmp? -61.29 -34.87 75.92 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 120.607 -1.308 . . . . 0.0 109.829 179.47 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.436 ' OE2' ' NZ ' ' B' ' 34' ' ' LYS . 16.0 tm-20 -61.04 -39.96 91.78 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.918 -1.114 . . . . 0.0 110.362 -179.25 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 69.8 mt -60.38 -39.44 80.99 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 O-C-N 120.922 -1.111 . . . . 0.0 108.092 179.437 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 94.6 t -65.6 -39.03 83.77 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.421 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 178.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.408 ' O ' ' OE1' ' A' ' 44' ' ' GLN . . . -61.24 -30.7 70.61 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.684 -0.635 . . . . 0.0 109.691 179.721 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.9 m -80.2 -26.18 39.32 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.806 -1.184 . . . . 0.0 109.638 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 40.8 t -81.35 102.44 10.45 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.211 -0.93 . . . . 0.0 109.483 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -60.06 -29.62 68.66 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.563 -0.711 . . . . 0.0 110.37 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -69.87 -39.9 76.03 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.791 -1.193 . . . . 0.0 110.384 -178.827 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 69.2 m -84.64 -23.65 29.42 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.03 -1.044 . . . . 0.0 109.343 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.408 ' OE1' ' O ' ' A' ' 38' ' ' ALA . 36.2 tt0 . . . . . 0 N--CA 1.495 1.802 0 O-C-N 120.936 -1.103 . . . . 0.0 109.019 179.278 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 1' ' ' PHE . . . . . 0.458 ' CE2' ' CE2' ' A' ' 1' ' ' PHE . 74.8 m-85 . . . . . 0 N--CA 1.49 1.568 0 CA-C-O 121.235 0.541 . . . . 0.0 110.162 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 14.2 mt -71.6 -35.9 70.66 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.229 -0.92 . . . . 0.0 111.351 -178.272 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -62.71 -50.82 69.62 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 120.649 -1.282 . . . . 0.0 110.775 -178.617 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.89 -45.48 87.9 Favored Glycine 0 N--CA 1.487 2.079 0 N-CA-C 109.99 -1.244 . . . . 0.0 109.99 -179.702 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 5' ' ' ILE . . . . . 0.422 HD12 ' O ' ' B' ' 1' ' ' PHE . 86.3 mt -60.02 -39.64 80.88 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.472 0 O-C-N 121.339 -1.095 . . . . 0.0 111.025 -179.101 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -55.28 -45.43 76.19 Favored 'General case' 0 C--N 1.304 -1.404 0 C-N-CA 119.015 -1.074 . . . . 0.0 108.963 -178.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 36.5 mtmm -69.68 -44.02 71.33 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.062 -1.024 . . . . 0.0 109.029 178.819 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.63 -34.7 78.83 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.284 -0.885 . . . . 0.0 109.674 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 57.7 tt0 -57.83 -41.72 82.86 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.021 -1.049 . . . . 0.0 109.089 -179.483 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -62.21 -40.64 96.77 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.146 -0.971 . . . . 0.0 109.08 179.088 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 14.6 tm-20 -61.06 -40.59 94.24 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.171 -0.956 . . . . 0.0 108.676 179.493 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 12' ' ' HIS . . . . . 0.523 ' O ' ' N ' ' B' ' 16' ' ' HIS . 13.4 t60 -62.45 -46.44 88.52 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 119.79 -0.764 . . . . 0.0 110.323 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 -60.45 -42.34 95.94 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.2 -0.937 . . . . 0.0 110.548 -179.583 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -63.75 -30.34 71.45 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.054 -1.028 . . . . 0.0 112.644 -178.235 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -140.36 -4.68 1.28 Allowed 'General case' 0 N--CA 1.507 2.387 0 O-C-N 120.693 -1.255 . . . . 0.0 112.958 -176.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.523 ' N ' ' O ' ' B' ' 12' ' ' HIS . 90.4 m-70 54.47 44.58 28.6 Favored 'General case' 0 N--CA 1.498 1.96 0 N-CA-C 107.115 -1.439 . . . . 0.0 107.115 -177.693 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 99.2 p -65.45 156.1 33.46 Favored 'General case' 0 C--N 1.302 -1.497 0 CA-C-O 121.574 0.702 . . . . 0.0 110.48 -178.41 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -72.79 158.69 35.08 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.093 -1.004 . . . . 0.0 109.445 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 38.7 p-90 -56.91 -29.26 62.89 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.043 -1.036 . . . . 0.0 110.526 -179.47 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 72.3 mtm180 -62.35 -40.63 97.02 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.675 -1.266 . . . . 0.0 109.864 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.34 -50.36 60.26 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.277 -0.889 . . . . 0.0 109.571 -179.27 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 77.8 mtm -61.13 -39.79 91.37 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 121.206 -0.934 . . . . 0.0 109.397 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.489 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -58.63 -49.2 78.37 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.302 -0.874 . . . . 0.0 109.01 179.773 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 38.3 t -70.6 -37.41 73.88 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.621 -0.675 . . . . 0.0 110.267 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 54.1 t0 -59.12 -40.46 85.49 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.244 -0.91 . . . . 0.0 110.49 -178.784 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -112.26 0.68 15.83 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.483 -0.761 . . . . 0.0 109.8 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 27' ' ' ASN . . . . . 0.489 ' N ' ' O ' ' B' ' 23' ' ' ALA . 42.3 t30 59.68 44.51 14.19 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.194 -0.941 . . . . 0.0 110.203 179.474 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 48.3 mt -108.89 151.04 41.63 Favored Pre-proline 0 N--CA 1.499 1.976 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 179.534 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -60.81 162.6 18.2 Favored 'Trans proline' 0 C--N 1.312 -1.356 0 C-N-CA 121.496 1.464 . . . . 0.0 111.12 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_endo -56.62 -33.96 94.5 Favored 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 122.49 2.127 . . . . 0.0 112.24 -179.6 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.505 HG11 HD11 ' A' ' 5' ' ' ILE . 82.9 t -56.9 -49.24 79.67 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.693 0 O-C-N 120.776 -1.202 . . . . 0.0 109.624 -179.299 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 32' ' ' VAL . . . . . 0.403 HG13 HD11 ' B' ' 5' ' ' ILE . 66.2 t -65.39 -49.09 80.49 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.845 0 C-N-CA 118.673 -1.211 . . . . 0.0 109.236 -178.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.49 -46.23 80.56 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.586 -0.696 . . . . 0.0 110.204 -179.659 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.459 ' CB ' ' NZ ' ' B' ' 34' ' ' LYS . 8.3 mtmp? -61.24 -35.42 77.2 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.645 -1.284 . . . . 0.0 109.852 179.31 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 16.3 tm-20 -60.87 -39.92 90.98 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 120.98 -1.075 . . . . 0.0 110.246 -179.146 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 73.6 mt -60.2 -40.04 82.41 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 120.737 -1.227 . . . . 0.0 107.982 179.594 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 89.7 t -64.55 -40.07 87.77 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.566 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 178.743 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 38' ' ' ALA . . . . . 0.436 ' O ' ' OE1' ' B' ' 44' ' ' GLN . . . -60.09 -31.79 70.35 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.296 -0.878 . . . . 0.0 109.765 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 49.8 m -79.42 -26.43 41.87 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 120.855 -1.153 . . . . 0.0 109.483 -179.391 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 42.5 t -81.41 102.18 10.33 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.245 -0.909 . . . . 0.0 109.41 -179.69 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -60.54 -28.92 68.79 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.511 -0.743 . . . . 0.0 110.597 -179.545 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 61.5 mttp -69.94 -39.85 75.84 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.898 -1.126 . . . . 0.0 110.058 -179.368 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 69.3 m -84.7 -24.26 29.0 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.176 -0.952 . . . . 0.0 109.326 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 44' ' ' GLN . . . . . 0.436 ' OE1' ' O ' ' B' ' 38' ' ' ALA . 36.8 tt0 . . . . . 0 N--CA 1.493 1.722 0 O-C-N 121.044 -1.035 . . . . 0.0 108.907 179.32 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 37.4 m-85 . . . . . 0 N--CA 1.489 1.506 0 CA-C-O 121.428 0.632 . . . . 0.0 109.981 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 55.9 mt -71.54 -31.09 66.64 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.324 -0.86 . . . . 0.0 112.084 -178.275 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -62.63 -51.85 65.64 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.641 -1.287 . . . . 0.0 110.693 -178.143 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.15 -42.19 77.28 Favored Glycine 0 N--CA 1.491 2.322 0 N-CA-C 109.936 -1.266 . . . . 0.0 109.936 -179.484 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.414 ' O ' ' N ' ' A' ' 9' ' ' GLN . 91.9 mt -59.92 -40.45 82.91 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.547 0 O-C-N 121.412 -1.052 . . . . 0.0 110.105 -179.855 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -55.45 -47.01 76.73 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 120.897 -1.127 . . . . 0.0 108.855 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 17.4 ttmm -68.43 -44.45 74.95 Favored 'General case' 0 C--N 1.3 -1.56 0 C-N-CA 119.59 -0.844 . . . . 0.0 109.314 179.029 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.19 -36.34 83.74 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.476 -0.765 . . . . 0.0 109.039 179.748 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.414 ' N ' ' O ' ' A' ' 5' ' ' ILE . 55.4 tt0 -58.84 -40.28 83.76 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.337 -0.852 . . . . 0.0 109.309 -179.401 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -60.67 -39.94 90.24 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.067 -1.021 . . . . 0.0 108.391 178.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.7 tm-20 -60.48 -41.26 93.85 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.334 -0.854 . . . . 0.0 108.875 178.83 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.537 ' O ' ' N ' ' A' ' 16' ' ' HIS . 17.6 t60 -61.77 -44.77 96.23 Favored 'General case' 0 C--N 1.304 -1.412 0 C-N-CA 119.289 -0.964 . . . . 0.0 109.88 179.76 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.1 tp10 -60.53 -45.28 94.41 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.06 -1.025 . . . . 0.0 110.34 -179.19 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 52.6 mtmt -60.98 -32.2 71.77 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.48 -0.762 . . . . 0.0 112.973 -178.157 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 52.0 m-85 -137.69 -6.02 1.73 Allowed 'General case' 0 N--CA 1.506 2.33 0 O-C-N 120.765 -1.209 . . . . 0.0 112.812 -176.609 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.537 ' N ' ' O ' ' A' ' 12' ' ' HIS . 91.8 m-70 53.97 46.43 25.58 Favored 'General case' 0 N--CA 1.495 1.784 0 N-CA-C 107.33 -1.359 . . . . 0.0 107.33 -177.58 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 87.7 p -69.06 159.68 32.43 Favored 'General case' 0 N--CA 1.486 1.355 0 CA-C-O 121.534 0.683 . . . . 0.0 110.616 -178.253 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 -74.16 157.59 35.68 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 179.525 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 50.2 p-90 -59.25 -31.22 68.89 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.047 -1.033 . . . . 0.0 109.841 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 83.6 mtm180 -61.47 -40.67 95.36 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.936 -1.103 . . . . 0.0 108.691 179.707 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.89 -49.75 55.52 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.354 -0.841 . . . . 0.0 109.038 179.432 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 76.2 mtm -61.48 -41.81 97.83 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.141 -0.975 . . . . 0.0 109.635 179.672 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.525 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -59.92 -43.54 94.86 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.205 -0.935 . . . . 0.0 109.022 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 8.6 t -71.7 -34.78 69.9 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.626 -0.671 . . . . 0.0 109.949 179.449 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -61.77 -42.61 99.21 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.39 -0.819 . . . . 0.0 109.642 -179.41 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -108.2 0.15 21.3 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.64 -0.663 . . . . 0.0 110.227 -179.492 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.525 ' N ' ' O ' ' A' ' 23' ' ' ALA . 75.5 m-20 53.65 48.31 21.86 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.382 -0.824 . . . . 0.0 109.565 179.702 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 83.5 mt -112.34 149.29 40.79 Favored Pre-proline 0 N--CA 1.499 2.006 0 O-C-N 121.172 -0.955 . . . . 0.0 108.981 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_exo -44.66 145.3 2.81 Favored 'Trans proline' 0 N--CA 1.49 1.268 0 C-N-CA 121.785 1.657 . . . . 0.0 111.252 178.574 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -46.61 -39.19 22.9 Favored 'Trans proline' 0 C--N 1.31 -1.485 0 C-N-CA 121.34 1.36 . . . . 0.0 111.268 178.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 67.1 t -51.91 -48.34 39.96 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.573 0 O-C-N 121.721 -0.612 . . . . 0.0 110.595 -178.476 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 60.7 t -65.19 -48.14 84.78 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.726 0 C-N-CA 118.293 -1.363 . . . . 0.0 109.209 -178.687 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.96 -46.33 78.51 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.387 -0.821 . . . . 0.0 109.467 179.33 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -60.25 -36.61 78.15 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.021 -1.05 . . . . 0.0 110.583 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.8 tm-20 -62.89 -37.63 87.72 Favored 'General case' 0 N--CA 1.487 1.406 0 C-N-CA 119.306 -0.958 . . . . 0.0 110.064 -179.325 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 84.4 mt -60.2 -40.04 82.43 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.448 0 O-C-N 120.707 -1.246 . . . . 0.0 109.137 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 77.2 t -63.69 -39.45 85.4 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 178.473 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.569 ' O ' ' NE2' ' A' ' 44' ' ' GLN . . . -59.77 -29.54 68.26 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.345 -0.847 . . . . 0.0 109.093 179.153 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 44.8 m -78.15 -29.43 48.68 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.142 -0.974 . . . . 0.0 109.531 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 38.5 t -80.6 105.71 12.06 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.1 -1.0 . . . . 0.0 109.665 -179.71 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -61.84 -30.48 70.87 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.307 -0.871 . . . . 0.0 110.37 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -69.84 -39.76 76.25 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.105 -0.997 . . . . 0.0 110.915 -178.411 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 98.5 m -85.66 -35.15 21.09 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 120.658 -1.276 . . . . 0.0 110.389 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.569 ' NE2' ' O ' ' A' ' 38' ' ' ALA . 6.2 tt0 . . . . . 0 N--CA 1.497 1.91 0 O-C-N 121.065 -1.022 . . . . 0.0 110.955 -178.703 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 . . . . . 0 N--CA 1.488 1.437 0 CA-C-O 121.306 0.574 . . . . 0.0 109.977 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 53.3 mt -71.92 -31.18 66.1 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.303 -0.873 . . . . 0.0 112.141 -178.199 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 54.2 t0 -61.74 -51.25 69.11 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 120.541 -1.35 . . . . 0.0 110.923 -178.07 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.52 -42.37 73.14 Favored Glycine 0 N--CA 1.491 2.313 0 N-CA-C 109.664 -1.375 . . . . 0.0 109.664 -179.588 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 91.4 mt -59.34 -40.62 81.94 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.613 0 O-C-N 121.272 -1.134 . . . . 0.0 110.28 -179.632 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -55.73 -47.58 76.68 Favored 'General case' 0 C--N 1.303 -1.42 0 C-N-CA 119.101 -1.04 . . . . 0.0 108.474 -179.488 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 17.7 ttmm -68.34 -44.47 75.23 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.407 -0.808 . . . . 0.0 109.392 179.241 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.67 -35.98 82.78 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.384 -0.823 . . . . 0.0 109.087 179.516 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -58.06 -40.6 81.4 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.301 -0.874 . . . . 0.0 109.157 -179.537 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -60.41 -39.87 88.93 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.037 -1.04 . . . . 0.0 108.548 179.192 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 14.2 tm-20 -60.9 -40.74 94.24 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 119.53 -0.868 . . . . 0.0 108.86 179.209 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 12' ' ' HIS . . . . . 0.531 ' O ' ' N ' ' B' ' 16' ' ' HIS . 17.5 t60 -62.23 -44.82 95.71 Favored 'General case' 0 C--N 1.301 -1.503 0 C-N-CA 119.277 -0.969 . . . . 0.0 109.94 179.602 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 46.1 tp10 -60.69 -45.01 95.82 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.09 -1.006 . . . . 0.0 110.221 -179.391 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 52.5 mtmt -61.02 -32.54 72.14 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.295 -0.878 . . . . 0.0 112.886 -178.226 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 49.7 m-85 -137.26 -6.28 1.81 Allowed 'General case' 0 N--CA 1.509 2.505 0 O-C-N 120.667 -1.27 . . . . 0.0 112.903 -176.556 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.531 ' N ' ' O ' ' B' ' 12' ' ' HIS . 91.4 m-70 54.27 46.41 25.25 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 120.586 -1.321 . . . . 0.0 107.446 -177.587 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 88.6 p -68.61 159.43 32.01 Favored 'General case' 0 C--N 1.302 -1.467 0 CA-C-O 121.487 0.66 . . . . 0.0 110.608 -178.464 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 73.0 m-20 -74.52 157.32 35.71 Favored 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 179.199 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 49.7 p-90 -58.89 -31.41 68.58 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 120.98 -1.075 . . . . 0.0 109.841 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 83.0 mtm180 -61.31 -40.53 94.54 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.866 -1.146 . . . . 0.0 108.768 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.95 -48.9 62.06 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.345 -0.847 . . . . 0.0 109.128 179.246 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 76.2 mtm -62.08 -41.81 98.56 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.095 -1.003 . . . . 0.0 109.699 179.55 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.524 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -59.71 -43.27 94.19 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.166 -0.959 . . . . 0.0 109.014 179.764 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 9.0 t -71.77 -34.93 69.86 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.528 -0.733 . . . . 0.0 110.079 179.67 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -61.49 -42.95 99.56 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.461 -0.774 . . . . 0.0 109.72 -179.277 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -108.45 -0.02 20.75 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.698 -0.626 . . . . 0.0 110.276 -179.542 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 27' ' ' ASN . . . . . 0.524 ' N ' ' O ' ' B' ' 23' ' ' ALA . 77.5 m-20 54.2 47.46 23.09 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.388 -0.82 . . . . 0.0 109.642 179.582 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 82.1 mt -111.38 149.41 40.58 Favored Pre-proline 0 N--CA 1.499 1.982 0 O-C-N 121.28 -0.887 . . . . 0.0 109.624 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_exo -44.1 144.14 2.91 Favored 'Trans proline' 0 N--CA 1.488 1.15 0 C-N-CA 121.654 1.569 . . . . 0.0 111.386 178.516 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -45.7 -39.28 18.07 Favored 'Trans proline' 0 C--N 1.312 -1.389 0 C-N-CA 121.435 1.423 . . . . 0.0 111.062 178.79 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 69.0 t -51.84 -49.37 36.89 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.58 0 O-C-N 121.822 -0.549 . . . . 0.0 110.635 -178.553 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 58.8 t -64.72 -47.88 86.88 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.935 0 C-N-CA 118.315 -1.354 . . . . 0.0 109.22 -178.612 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.03 -46.38 78.07 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.084 -1.01 . . . . 0.0 109.594 179.139 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -60.24 -36.4 77.66 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.151 -0.968 . . . . 0.0 110.546 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 13.5 tm-20 -63.13 -37.86 88.89 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 120.915 -1.116 . . . . 0.0 109.922 -179.038 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 87.7 mt -59.58 -40.19 81.4 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.399 0 O-C-N 120.947 -1.096 . . . . 0.0 109.029 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 78.1 t -63.56 -39.27 84.73 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 178.587 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 38' ' ' ALA . . . . . 0.555 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -59.83 -30.1 68.72 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.415 -0.803 . . . . 0.0 108.928 179.07 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 35.4 m -77.67 -28.98 51.32 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.06 -1.025 . . . . 0.0 109.681 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 40.3 t -81.34 105.22 12.35 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.261 -0.9 . . . . 0.0 109.554 -179.523 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -61.36 -30.82 70.76 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.612 -0.68 . . . . 0.0 110.305 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -69.5 -39.75 77.41 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 120.977 -1.077 . . . . 0.0 111.199 -178.339 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 91.4 m -85.81 -35.57 20.59 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 120.813 -1.18 . . . . 0.0 110.136 -179.627 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 44' ' ' GLN . . . . . 0.555 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 6.2 tt0 . . . . . 0 N--CA 1.498 1.961 0 O-C-N 120.643 -1.286 . . . . 0.0 111.167 -178.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 . . . . . 0 N--CA 1.491 1.583 0 CA-C-O 121.442 0.639 . . . . 0.0 110.245 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 25.0 mt -70.1 -29.97 67.07 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.503 -0.748 . . . . 0.0 111.681 -177.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -62.57 -52.39 63.6 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.431 -1.418 . . . . 0.0 111.45 -178.039 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.89 -43.77 57.48 Favored Glycine 0 N--CA 1.489 2.201 0 N-CA-C 110.077 -1.209 . . . . 0.0 110.077 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.439 ' O ' ' N ' ' A' ' 9' ' ' GLN . 96.0 mt -58.7 -40.22 78.82 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.549 0 O-C-N 121.053 -1.263 . . . . 0.0 109.942 -179.523 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 57.0 t0 -56.23 -44.44 79.59 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 120.837 -1.165 . . . . 0.0 108.925 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.2 ttmp? -68.48 -46.24 70.25 Favored 'General case' 0 N--CA 1.494 1.759 0 C-N-CA 119.34 -0.944 . . . . 0.0 109.044 178.702 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.29 -34.91 78.71 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.496 -0.753 . . . . 0.0 109.453 179.527 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.439 ' N ' ' O ' ' A' ' 5' ' ' ILE . 53.0 tt0 -58.64 -39.88 81.83 Favored 'General case' 0 C--N 1.305 -1.347 0 O-C-N 121.313 -0.867 . . . . 0.0 109.35 -179.102 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -60.73 -39.78 89.92 Favored 'General case' 0 C--N 1.305 -1.349 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 178.83 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.8 tm-20 -60.5 -40.72 92.39 Favored 'General case' 0 N--CA 1.492 1.644 0 N-CA-C 108.223 -1.029 . . . . 0.0 108.223 179.132 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.551 ' O ' ' N ' ' A' ' 16' ' ' HIS . 16.3 t60 -62.55 -47.26 84.66 Favored 'General case' 0 C--N 1.306 -1.311 0 C-N-CA 119.261 -0.976 . . . . 0.0 109.752 179.643 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 76.0 tt0 -59.53 -45.58 91.34 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.053 -1.029 . . . . 0.0 110.244 -178.258 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 52.4 mtpt -60.69 -30.8 70.15 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.207 -0.933 . . . . 0.0 113.403 -178.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -138.85 -5.79 1.49 Allowed 'General case' 0 N--CA 1.507 2.397 0 O-C-N 120.515 -1.365 . . . . 0.0 112.519 -176.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.551 ' N ' ' O ' ' A' ' 12' ' ' HIS . 93.0 m-70 54.89 42.35 31.17 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 -177.653 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 96.3 p -61.05 156.45 17.9 Favored 'General case' 0 C--N 1.302 -1.481 0 C-N-CA 120.105 -0.638 . . . . 0.0 109.983 -179.06 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 33.5 m120 -73.06 155.08 40.13 Favored 'General case' 0 C--N 1.305 -1.344 0 O-C-N 121.264 -0.897 . . . . 0.0 109.425 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 34.0 p-90 -55.96 -29.42 60.18 Favored 'General case' 0 C--N 1.298 -1.655 0 C-N-CA 119.126 -1.03 . . . . 0.0 109.357 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 84.6 mtm180 -63.89 -40.78 97.33 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 120.86 -1.15 . . . . 0.0 110.209 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.02 -47.36 68.65 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.217 -0.927 . . . . 0.0 109.976 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 77.9 mtm -60.68 -38.36 84.68 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.065 -1.022 . . . . 0.0 109.615 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.505 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -56.67 -49.31 75.46 Favored 'General case' 0 C--N 1.301 -1.529 0 C-N-CA 118.993 -1.083 . . . . 0.0 108.532 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 21.5 t -69.85 -35.2 74.53 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.43 -0.794 . . . . 0.0 110.37 -179.642 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 58.4 t0 -59.07 -46.57 87.94 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.226 -0.921 . . . . 0.0 110.202 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -108.41 3.31 23.14 Favored 'General case' 0 N--CA 1.502 2.126 0 O-C-N 121.261 -0.899 . . . . 0.0 110.43 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.505 ' N ' ' O ' ' A' ' 23' ' ' ALA . 81.9 m-20 55.94 44.89 24.95 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.17 -0.956 . . . . 0.0 109.695 179.418 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 60.7 mt -108.54 152.28 42.03 Favored Pre-proline 0 N--CA 1.501 2.112 0 N-CA-C 107.683 -1.229 . . . . 0.0 107.683 179.437 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_endo -63.52 151.42 85.08 Favored 'Trans proline' 0 N--CA 1.49 1.313 0 C-N-CA 121.391 1.394 . . . . 0.0 111.26 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_exo -43.26 -38.78 8.24 Favored 'Trans proline' 0 N--CA 1.491 1.372 0 C-N-CA 122.463 2.109 . . . . 0.0 111.914 179.431 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 25.6 t -51.71 -51.5 26.75 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.63 0 O-C-N 121.417 -0.802 . . . . 0.0 110.471 -178.681 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.43 HG13 HD11 ' A' ' 5' ' ' ILE . 91.8 t -65.89 -46.85 87.38 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.753 0 C-N-CA 118.702 -1.199 . . . . 0.0 109.647 -178.523 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.72 -44.34 81.85 Favored 'General case' 0 C--N 1.299 -1.618 0 C-N-CA 119.584 -0.846 . . . . 0.0 109.983 -179.539 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.516 ' NZ ' ' OE2' ' B' ' 35' ' ' GLU . 10.2 mtpm? -61.21 -37.37 82.74 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.201 -0.937 . . . . 0.0 110.307 -179.775 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.42 ' OE2' ' NZ ' ' B' ' 34' ' ' LYS . 14.2 tm-20 -61.04 -36.91 80.82 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.883 -1.135 . . . . 0.0 109.77 -178.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 84.2 mt -59.72 -39.63 80.22 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.405 0 O-C-N 120.855 -1.153 . . . . 0.0 108.38 179.285 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 81.3 t -63.45 -39.37 85.07 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 O-C-N 121.303 -0.873 . . . . 0.0 109.097 179.362 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.59 ' O ' ' NE2' ' A' ' 44' ' ' GLN . . . -59.83 -33.94 72.43 Favored 'General case' 0 C--N 1.3 -1.568 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 179.532 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 34.8 m -74.53 -29.92 61.57 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.16 -0.962 . . . . 0.0 109.727 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 50.7 t -82.16 103.17 11.57 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.16 -0.963 . . . . 0.0 109.173 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -60.15 -30.01 69.03 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 120.967 -1.083 . . . . 0.0 110.373 -179.692 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -69.2 -38.73 78.78 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 120.888 -1.133 . . . . 0.0 110.922 -178.529 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 94.2 m -90.55 -14.96 31.52 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.216 -0.928 . . . . 0.0 109.65 179.533 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.59 ' NE2' ' O ' ' A' ' 38' ' ' ALA . 21.0 tt0 . . . . . 0 N--CA 1.497 1.89 0 O-C-N 121.184 -0.947 . . . . 0.0 109.562 -178.801 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 . . . . . 0 N--CA 1.495 1.791 0 CA-C-O 121.476 0.655 . . . . 0.0 110.082 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 26.6 mt -70.33 -29.85 66.66 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.204 -0.935 . . . . 0.0 111.192 -178.095 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -62.37 -54.57 38.49 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 120.549 -1.345 . . . . 0.0 111.334 -178.173 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.7 -44.26 71.49 Favored Glycine 0 N--CA 1.493 2.485 0 N-CA-C 109.816 -1.313 . . . . 0.0 109.816 -179.528 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 5' ' ' ILE . . . . . 0.443 ' O ' ' N ' ' B' ' 9' ' ' GLN . 96.8 mt -58.78 -40.03 78.61 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.384 0 O-C-N 121.382 -1.07 . . . . 0.0 110.274 -179.264 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 57.1 t0 -57.35 -43.73 83.73 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 120.722 -1.236 . . . . 0.0 108.112 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 4.4 ttmp? -68.15 -47.59 67.66 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 118.947 -1.101 . . . . 0.0 109.238 178.563 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.43 -35.27 79.89 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.482 -0.761 . . . . 0.0 109.476 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 9' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' B' ' 5' ' ' ILE . 55.7 tt0 -56.98 -39.68 75.09 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.276 -0.89 . . . . 0.0 109.335 -179.327 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -60.58 -40.64 92.44 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 178.798 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 14.0 tm-20 -59.27 -41.56 89.15 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.182 -0.949 . . . . 0.0 108.756 179.255 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 12' ' ' HIS . . . . . 0.582 ' O ' ' N ' ' B' ' 16' ' ' HIS . 17.5 t60 -61.56 -47.1 87.05 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.118 -0.989 . . . . 0.0 109.962 179.737 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -59.75 -45.01 93.54 Favored 'General case' 0 C--N 1.293 -1.852 0 O-C-N 121.091 -1.005 . . . . 0.0 110.627 -178.517 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 52.4 mtpt -60.96 -33.26 72.92 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.484 -0.76 . . . . 0.0 112.988 -178.49 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -136.37 -5.32 2.05 Favored 'General case' 0 N--CA 1.506 2.354 0 O-C-N 120.781 -1.199 . . . . 0.0 112.416 -176.82 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.582 ' N ' ' O ' ' B' ' 12' ' ' HIS . 93.1 m-70 54.88 40.71 32.11 Favored 'General case' 0 N--CA 1.499 2.001 0 N-CA-C 107.33 -1.359 . . . . 0.0 107.33 -177.493 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 90.9 p -59.52 154.04 18.24 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.638 -0.664 . . . . 0.0 110.216 -179.026 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 35.6 m120 -71.53 155.96 39.97 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.488 -0.757 . . . . 0.0 108.983 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 40.1 p-90 -57.25 -29.08 63.51 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.795 -1.191 . . . . 0.0 109.729 -179.642 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 83.6 mtm180 -63.04 -39.96 96.29 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.03 -1.044 . . . . 0.0 110.322 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.93 -47.34 62.79 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.403 -0.811 . . . . 0.0 110.136 -179.621 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 78.0 mtm -60.53 -38.38 84.26 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.24 -0.912 . . . . 0.0 108.953 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.496 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -56.76 -49.74 74.36 Favored 'General case' 0 N--CA 1.49 1.56 0 C-N-CA 119.597 -0.841 . . . . 0.0 109.454 179.444 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 16.8 t -70.03 -33.73 72.36 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.147 -0.97 . . . . 0.0 110.038 179.583 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -59.62 -46.25 89.52 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.985 -1.072 . . . . 0.0 109.922 -179.089 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -109.43 3.37 21.34 Favored 'General case' 0 N--CA 1.503 2.211 0 O-C-N 121.459 -0.776 . . . . 0.0 110.547 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 27' ' ' ASN . . . . . 0.496 ' N ' ' O ' ' B' ' 23' ' ' ALA . 79.8 m-20 55.42 48.04 19.86 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.013 -1.054 . . . . 0.0 109.687 179.553 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 62.5 mt -111.56 151.4 43.29 Favored Pre-proline 0 N--CA 1.503 2.186 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 179.458 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_endo -62.0 151.11 83.48 Favored 'Trans proline' 0 C--N 1.314 -1.289 0 C-N-CA 121.008 1.138 . . . . 0.0 111.619 -179.561 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_exo -43.3 -39.09 8.61 Favored 'Trans proline' 0 N--CA 1.493 1.467 0 C-N-CA 122.588 2.192 . . . . 0.0 111.35 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 23.8 t -51.01 -53.8 12.91 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.736 0 O-C-N 121.625 -0.672 . . . . 0.0 110.301 -178.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 32' ' ' VAL . . . . . 0.407 HG13 HD11 ' B' ' 5' ' ' ILE . 94.1 t -63.79 -46.9 93.17 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.85 0 C-N-CA 118.588 -1.245 . . . . 0.0 110.134 -178.564 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.16 -42.99 83.39 Favored 'General case' 0 C--N 1.299 -1.624 0 C-N-CA 119.494 -0.883 . . . . 0.0 109.873 -179.594 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.42 ' NZ ' ' OE2' ' A' ' 35' ' ' GLU . 10.2 mtpm? -62.7 -35.49 79.88 Favored 'General case' 0 N--CA 1.486 1.363 0 O-C-N 120.851 -1.155 . . . . 0.0 110.325 -179.437 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 35' ' ' GLU . . . . . 0.516 ' OE2' ' NZ ' ' A' ' 34' ' ' LYS . 15.1 tm-20 -62.39 -36.46 82.38 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 120.834 -1.166 . . . . 0.0 109.757 -179.239 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 82.9 mt -60.49 -39.91 82.68 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.465 0 C-N-CA 119.169 -1.012 . . . . 0.0 108.28 179.724 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 76.7 t -63.24 -39.36 84.96 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.584 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 178.773 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 38' ' ' ALA . . . . . 0.546 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -60.27 -33.05 71.77 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.543 -0.723 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 36.1 m -76.68 -27.72 55.67 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.261 -0.9 . . . . 0.0 109.801 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 51.6 t -82.54 104.76 13.05 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.053 -1.03 . . . . 0.0 109.2 179.427 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -61.48 -29.32 69.9 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.337 -0.852 . . . . 0.0 110.491 -179.637 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -70.27 -39.27 75.05 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.109 -0.995 . . . . 0.0 110.524 -178.71 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 84.0 m -89.71 -16.25 30.79 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.264 -0.898 . . . . 0.0 109.696 179.742 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 44' ' ' GLN . . . . . 0.546 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 22.6 tt0 . . . . . 0 N--CA 1.496 1.839 0 O-C-N 121.141 -0.975 . . . . 0.0 110.205 -179.405 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 1' ' ' PHE . . . . . 0.517 ' O ' HD12 ' A' ' 5' ' ' ILE . 76.2 m-85 . . . . . 0 N--CA 1.49 1.55 0 CA-C-O 121.123 0.487 . . . . 0.0 109.905 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 37.0 mt -72.12 -34.89 68.92 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.313 -0.867 . . . . 0.0 111.854 -178.245 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -62.22 -47.85 82.61 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.728 -1.232 . . . . 0.0 110.85 -178.244 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.06 -43.24 49.16 Favored Glycine 0 N--CA 1.494 2.546 0 N-CA-C 109.168 -1.573 . . . . 0.0 109.168 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.517 HD12 ' O ' ' A' ' 1' ' ' PHE . 80.1 mt -59.49 -39.43 79.22 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.486 0 O-C-N 121.235 -1.156 . . . . 0.0 109.697 179.711 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 51.7 t0 -55.45 -49.31 72.79 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 120.746 -1.221 . . . . 0.0 109.055 -179.604 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 58.1 mttm -68.96 -40.04 79.14 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 120.899 -1.126 . . . . 0.0 109.504 179.183 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.46 -35.58 77.77 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.274 -0.891 . . . . 0.0 109.747 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.458 ' N ' ' O ' ' A' ' 5' ' ' ILE . 53.4 tt0 -59.49 -40.06 85.78 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 108.585 -0.895 . . . . 0.0 108.585 -179.631 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 74.5 tt0 -61.08 -41.95 97.59 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.019 -1.051 . . . . 0.0 108.64 178.799 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.6 tm-20 -60.73 -40.25 91.67 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.544 -0.722 . . . . 0.0 109.085 179.49 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.545 ' O ' ' N ' ' A' ' 16' ' ' HIS . 14.7 t60 -60.79 -46.12 91.73 Favored 'General case' 0 C--N 1.304 -1.398 0 C-N-CA 119.575 -0.85 . . . . 0.0 109.688 179.611 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -60.24 -44.35 95.32 Favored 'General case' 0 C--N 1.297 -1.704 0 O-C-N 121.39 -0.819 . . . . 0.0 109.985 -179.619 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 50.5 mtmt -61.88 -31.44 71.72 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.467 -0.77 . . . . 0.0 112.963 -178.287 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 65.1 m-85 -138.18 -7.42 1.57 Allowed 'General case' 0 N--CA 1.506 2.349 0 O-C-N 120.755 -1.216 . . . . 0.0 112.541 -176.622 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.545 ' N ' ' O ' ' A' ' 12' ' ' HIS . 87.5 m-70 54.62 40.67 32.02 Favored 'General case' 0 N--CA 1.497 1.888 0 N-CA-C 107.235 -1.395 . . . . 0.0 107.235 -177.904 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 89.7 p -64.05 156.85 26.88 Favored 'General case' 0 N--CA 1.488 1.427 0 CA-C-O 121.45 0.643 . . . . 0.0 111.033 -178.118 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -71.05 157.92 37.38 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.473 -0.767 . . . . 0.0 109.099 179.289 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 54.0 p-90 -57.1 -29.66 63.69 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.245 -0.91 . . . . 0.0 110.318 -179.57 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 75.6 mtm180 -63.15 -40.51 97.78 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.86 -1.15 . . . . 0.0 109.885 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.34 -49.04 65.72 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.198 -0.939 . . . . 0.0 109.441 -179.427 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 79.4 mtm -61.19 -40.47 94.05 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.145 -0.972 . . . . 0.0 109.41 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.475 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -57.66 -45.99 84.8 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 119.394 -0.923 . . . . 0.0 109.26 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 20.4 m -69.94 -38.52 76.19 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.388 -0.82 . . . . 0.0 110.428 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -60.18 -40.38 89.78 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.097 -1.002 . . . . 0.0 110.607 -178.563 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -111.36 3.15 18.02 Favored 'General case' 0 N--CA 1.503 2.212 0 O-C-N 121.206 -0.934 . . . . 0.0 110.023 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.475 ' N ' ' O ' ' A' ' 23' ' ' ALA . 82.2 m-20 55.79 42.6 28.91 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.362 -0.836 . . . . 0.0 110.279 179.699 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 69.8 mt -106.74 149.9 39.02 Favored Pre-proline 0 N--CA 1.498 1.974 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 179.257 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_endo -60.83 153.68 61.21 Favored 'Trans proline' 0 N--CA 1.493 1.482 0 C-N-CA 121.842 1.694 . . . . 0.0 112.082 -179.285 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_exo -43.11 -41.46 9.46 Favored 'Trans proline' 0 C--N 1.312 -1.382 0 C-N-CA 122.489 2.126 . . . . 0.0 112.767 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.8 t -52.6 -50.11 42.01 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.809 0 O-C-N 121.191 -0.943 . . . . 0.0 110.385 -177.798 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 57.9 t -65.77 -48.29 82.77 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.932 0 C-N-CA 118.716 -1.194 . . . . 0.0 109.184 -178.571 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.59 -46.76 78.15 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.282 -0.886 . . . . 0.0 109.929 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 88.2 mttt -61.52 -36.12 79.66 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 120.976 -1.078 . . . . 0.0 110.505 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.4 tm-20 -60.72 -39.92 90.4 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 120.857 -1.152 . . . . 0.0 109.979 -179.25 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 73.0 mt -59.63 -40.14 81.41 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 O-C-N 121.141 -0.975 . . . . 0.0 108.829 179.725 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 89.7 t -63.09 -40.03 87.5 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.4 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 179.394 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.15 -30.77 70.59 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.48 -0.762 . . . . 0.0 109.626 179.607 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.4 m -77.57 -27.08 51.34 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.037 -1.039 . . . . 0.0 109.206 -179.699 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 42.6 t -80.92 104.17 11.24 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.162 -0.961 . . . . 0.0 109.761 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -60.02 -30.88 69.45 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.576 -0.702 . . . . 0.0 110.048 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 42.6 mtpt -71.19 -40.19 71.37 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.05 -1.031 . . . . 0.0 111.081 -178.759 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 69.4 m -84.75 -19.16 33.08 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 120.687 -1.258 . . . . 0.0 110.161 -179.473 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 . . . . . 0 N--CA 1.491 1.611 0 O-C-N 121.093 -1.004 . . . . 0.0 109.341 -179.725 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 1' ' ' PHE . . . . . 0.512 ' O ' HD12 ' B' ' 5' ' ' ILE . 75.0 m-85 . . . . . 0 N--CA 1.487 1.423 0 CA-C-O 121.305 0.574 . . . . 0.0 109.94 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 33.9 mt -72.44 -33.37 67.02 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.299 -0.876 . . . . 0.0 111.783 -178.544 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -63.46 -48.0 79.49 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 120.713 -1.242 . . . . 0.0 110.494 -178.295 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.7 -43.34 51.9 Favored Glycine 0 N--CA 1.492 2.412 0 N-CA-C 109.307 -1.517 . . . . 0.0 109.307 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 5' ' ' ILE . . . . . 0.512 HD12 ' O ' ' B' ' 1' ' ' PHE . 78.1 mt -59.6 -39.38 79.33 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.461 0 O-C-N 121.661 -0.905 . . . . 0.0 109.624 179.728 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -55.69 -48.25 75.43 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 120.854 -1.154 . . . . 0.0 109.063 -179.405 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 59.1 mttm -69.65 -40.91 76.22 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 120.944 -1.097 . . . . 0.0 109.51 179.248 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.18 -35.04 77.4 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.359 -0.838 . . . . 0.0 109.929 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 9' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' B' ' 5' ' ' ILE . 53.1 tt0 -59.48 -39.81 84.93 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.021 -1.049 . . . . 0.0 108.771 -179.844 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 74.6 tt0 -61.14 -41.98 97.72 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.267 -0.896 . . . . 0.0 108.616 178.687 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 12.5 tm-20 -60.51 -40.41 91.32 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.503 -0.748 . . . . 0.0 109.093 179.663 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 12' ' ' HIS . . . . . 0.526 ' O ' ' N ' ' B' ' 16' ' ' HIS . 15.6 t60 -60.73 -45.7 93.26 Favored 'General case' 0 C--N 1.305 -1.366 0 C-N-CA 119.516 -0.874 . . . . 0.0 109.834 179.482 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -60.44 -44.61 95.65 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.202 -0.936 . . . . 0.0 109.901 -179.625 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 50.7 mtmt -61.23 -32.45 72.24 Favored 'General case' 0 N--CA 1.495 1.786 0 N-CA-C 113.157 0.799 . . . . 0.0 113.157 -178.456 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 63.3 m-85 -137.12 -7.16 1.81 Allowed 'General case' 0 N--CA 1.507 2.417 0 O-C-N 120.741 -1.224 . . . . 0.0 112.466 -176.652 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.526 ' N ' ' O ' ' B' ' 12' ' ' HIS . 85.7 m-70 54.46 39.83 31.34 Favored 'General case' 0 N--CA 1.495 1.795 0 N-CA-C 107.087 -1.449 . . . . 0.0 107.087 -177.899 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 88.3 p -62.95 156.91 23.1 Favored 'General case' 0 N--CA 1.488 1.447 0 CA-C-O 121.523 0.678 . . . . 0.0 111.249 -178.342 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -70.84 158.25 36.71 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 179.281 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 54.7 p-90 -57.44 -30.19 64.81 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.197 -0.939 . . . . 0.0 110.171 -179.47 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 75.7 mtm180 -62.92 -40.26 97.07 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.821 -1.174 . . . . 0.0 109.94 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.01 -49.07 66.45 Favored 'General case' 0 C--N 1.299 -1.587 0 O-C-N 121.172 -0.955 . . . . 0.0 109.412 -179.426 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 79.0 mtm -61.54 -40.12 93.53 Favored 'General case' 0 C--N 1.298 -1.66 0 O-C-N 121.099 -1.001 . . . . 0.0 109.817 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.468 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -58.13 -45.29 87.6 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.203 -0.936 . . . . 0.0 109.512 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 25.3 m -70.01 -38.77 76.03 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.251 -0.906 . . . . 0.0 110.634 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -60.06 -40.57 89.95 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.312 -0.868 . . . . 0.0 110.533 -178.334 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -111.14 1.64 17.41 Favored 'General case' 0 N--CA 1.502 2.127 0 O-C-N 121.383 -0.823 . . . . 0.0 110.135 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 27' ' ' ASN . . . . . 0.468 ' N ' ' O ' ' B' ' 23' ' ' ALA . 81.1 m-20 56.75 42.94 26.02 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.633 -0.667 . . . . 0.0 110.27 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 73.4 mt -106.52 149.52 38.44 Favored Pre-proline 0 N--CA 1.496 1.869 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 179.31 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_endo -61.23 154.05 60.74 Favored 'Trans proline' 0 N--CA 1.494 1.542 0 C-N-CA 121.829 1.686 . . . . 0.0 111.975 -179.087 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -43.33 -40.7 9.87 Favored 'Trans proline' 0 C--N 1.314 -1.274 0 C-N-CA 122.515 2.144 . . . . 0.0 112.625 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 57.3 t -53.67 -50.25 51.89 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.749 0 C-N-CA 119.511 -0.876 . . . . 0.0 110.523 -177.774 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 59.2 t -65.59 -47.44 86.34 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.945 0 C-N-CA 118.617 -1.233 . . . . 0.0 109.36 -178.712 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.83 -47.74 74.0 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.27 -0.894 . . . . 0.0 109.974 179.719 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -61.01 -35.48 76.97 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 121.202 -0.936 . . . . 0.0 110.526 -179.548 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.9 tm-20 -60.73 -39.86 90.23 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.858 -1.151 . . . . 0.0 109.996 -179.394 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 74.5 mt -60.3 -39.69 81.6 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.297 0 O-C-N 120.991 -1.068 . . . . 0.0 108.849 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 89.3 t -63.23 -40.15 87.95 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.514 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 179.43 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 38' ' ' ALA . . . . . 0.436 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -61.33 -30.76 70.71 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.612 -0.68 . . . . 0.0 109.731 179.348 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 15.3 m -77.42 -26.19 51.44 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.208 -0.933 . . . . 0.0 109.11 -179.607 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 43.6 t -81.77 104.46 12.17 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 119.942 -0.703 . . . . 0.0 109.776 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -60.37 -31.64 70.53 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.448 -0.782 . . . . 0.0 110.147 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 42.7 mtpt -70.26 -40.02 74.63 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.016 -1.053 . . . . 0.0 111.209 -178.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 67.5 m -85.2 -19.35 31.82 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 120.681 -1.262 . . . . 0.0 110.353 -179.262 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 44' ' ' GLN . . . . . 0.436 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 12.3 tt0 . . . . . 0 N--CA 1.49 1.543 0 O-C-N 121.145 -0.972 . . . . 0.0 109.113 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 1' ' ' PHE . . . . . 0.532 ' CE2' ' CE2' ' B' ' 1' ' ' PHE . 62.7 m-85 . . . . . 0 N--CA 1.493 1.677 0 CA-C-O 121.578 0.704 . . . . 0.0 109.631 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 43.2 mt -72.52 -41.4 65.92 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.496 -0.753 . . . . 0.0 110.865 -178.464 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 60.8 t0 -63.83 -53.55 48.9 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 120.897 -1.127 . . . . 0.0 110.895 -179.067 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.18 -45.05 96.74 Favored Glycine 0 N--CA 1.495 2.576 0 N-CA-C 110.396 -1.081 . . . . 0.0 110.396 -179.288 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.419 HD11 HG11 ' B' ' 31' ' ' VAL . 68.9 mt -59.57 -39.02 78.32 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.31 -1.112 . . . . 0.0 110.524 -179.607 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -55.46 -45.32 76.91 Favored 'General case' 0 C--N 1.302 -1.485 0 C-N-CA 118.876 -1.13 . . . . 0.0 109.422 -179.129 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -69.93 -43.43 71.67 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.149 -0.97 . . . . 0.0 109.112 179.452 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.32 -34.97 79.19 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 119.584 -0.847 . . . . 0.0 109.681 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -58.44 -41.4 85.0 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 120.98 -1.075 . . . . 0.0 109.628 -179.037 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -62.12 -41.21 98.01 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.838 -1.164 . . . . 0.0 108.693 179.027 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -60.0 -40.69 90.05 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 179.031 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.552 ' O ' ' N ' ' A' ' 16' ' ' HIS . 13.5 t60 -61.76 -47.5 84.9 Favored 'General case' 0 C--N 1.306 -1.304 0 CA-C-O 121.572 0.701 . . . . 0.0 110.117 179.648 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.2 tp10 -60.72 -41.56 95.55 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 120.922 -1.111 . . . . 0.0 109.861 -179.116 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -60.88 -31.92 71.38 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.498 -0.751 . . . . 0.0 112.367 -178.547 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -140.07 -4.93 1.31 Allowed 'General case' 0 N--CA 1.508 2.432 0 O-C-N 120.722 -1.236 . . . . 0.0 112.788 -177.089 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.552 ' N ' ' O ' ' A' ' 12' ' ' HIS . 90.0 m-70 54.04 42.33 31.66 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 120.191 -1.568 . . . . 0.0 107.309 -177.605 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 93.9 p -63.92 156.89 26.33 Favored 'General case' 0 C--N 1.303 -1.442 0 CA-C-O 121.553 0.692 . . . . 0.0 110.709 -178.494 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -73.05 156.22 38.98 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.371 -0.831 . . . . 0.0 109.288 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 36.1 p-90 -54.46 -30.56 53.28 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.093 -1.004 . . . . 0.0 110.242 -179.247 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 59.5 mtp180 -61.05 -40.25 92.92 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.902 -1.124 . . . . 0.0 109.529 -179.695 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.85 -50.02 53.45 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.406 -0.809 . . . . 0.0 109.695 -179.732 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 78.6 mtm -60.79 -39.72 89.96 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.216 -0.927 . . . . 0.0 109.662 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.523 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -60.4 -47.34 86.49 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.147 -0.97 . . . . 0.0 109.149 179.583 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 62.8 m -69.38 -36.0 76.37 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.363 -0.836 . . . . 0.0 110.14 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -61.38 -41.53 97.24 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.135 -0.978 . . . . 0.0 109.902 -179.41 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.47 ' O ' ' OD1' ' A' ' 27' ' ' ASN . 96.7 m-85 -110.25 5.67 21.94 Favored 'General case' 0 N--CA 1.502 2.169 0 O-C-N 121.432 -0.793 . . . . 0.0 110.044 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.562 ' ND2' ' O ' ' A' ' 27' ' ' ASN . 1.9 p-10 49.63 42.84 23.82 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.574 -0.704 . . . . 0.0 110.843 179.719 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.407 HD13 HG11 ' A' ' 32' ' ' VAL . 79.5 mt -106.83 146.38 32.99 Favored Pre-proline 0 N--CA 1.503 2.193 0 O-C-N 120.912 -1.117 . . . . 0.0 109.205 179.492 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_exo -47.42 144.98 9.17 Favored 'Trans proline' 0 N--CA 1.493 1.444 0 C-N-CA 121.416 1.411 . . . . 0.0 111.08 178.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_exo -43.45 -33.83 4.54 Favored 'Trans proline' 0 C--N 1.315 -1.209 0 C-N-CA 121.865 1.71 . . . . 0.0 111.575 179.53 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.551 HG11 HD11 ' B' ' 5' ' ' ILE . 53.1 t -51.2 -51.83 21.2 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.615 0 O-C-N 121.764 -0.585 . . . . 0.0 110.628 -178.279 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.407 HG11 HD13 ' A' ' 28' ' ' LEU . 93.1 t -64.5 -49.25 81.51 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.801 0 C-N-CA 118.939 -1.104 . . . . 0.0 109.315 -178.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.86 -45.8 87.81 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.571 -0.706 . . . . 0.0 109.717 179.718 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.3 mtpm? -61.24 -36.21 79.35 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.066 -1.021 . . . . 0.0 109.882 179.579 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -62.09 -38.61 89.51 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.111 -0.993 . . . . 0.0 110.392 -179.446 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 66.3 mt -60.44 -39.24 80.49 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 120.817 -1.177 . . . . 0.0 108.666 -179.649 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 71.7 t -61.74 -39.09 82.06 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.546 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 178.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.55 -33.42 72.64 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 179.087 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 21.8 m -76.03 -29.82 58.22 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.319 -0.863 . . . . 0.0 109.749 -179.652 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 43.1 t -82.33 101.66 10.72 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.339 -0.85 . . . . 0.0 109.548 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -60.93 -29.97 69.93 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.427 -0.796 . . . . 0.0 110.151 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -69.19 -41.15 77.54 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.075 -1.015 . . . . 0.0 110.348 -178.752 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 57.8 m -82.27 -30.0 30.91 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.937 -1.102 . . . . 0.0 109.574 179.569 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 39.4 tt0 . . . . . 0 N--CA 1.49 1.574 0 O-C-N 121.092 -1.005 . . . . 0.0 108.917 -179.886 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 1' ' ' PHE . . . . . 0.532 ' CE2' ' CE2' ' A' ' 1' ' ' PHE . 65.2 m-85 . . . . . 0 N--CA 1.492 1.625 0 CA-C-O 121.572 0.701 . . . . 0.0 109.61 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 42.1 mt -73.41 -40.48 64.24 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.617 -0.677 . . . . 0.0 111.193 -178.149 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 62.6 t0 -64.35 -53.4 49.25 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.964 -1.085 . . . . 0.0 110.563 -179.071 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.28 -45.05 96.82 Favored Glycine 0 N--CA 1.493 2.436 0 N-CA-C 110.303 -1.119 . . . . 0.0 110.303 -179.219 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 5' ' ' ILE . . . . . 0.551 HD11 HG11 ' A' ' 31' ' ' VAL . 72.8 mt -59.91 -38.3 75.79 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 121.297 -1.119 . . . . 0.0 110.402 -179.398 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -56.2 -44.95 79.97 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 120.743 -1.223 . . . . 0.0 109.332 -179.045 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -70.47 -42.96 70.73 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 120.956 -1.09 . . . . 0.0 109.253 179.415 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.8 -35.44 80.08 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.285 -0.884 . . . . 0.0 109.45 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -57.91 -41.13 81.98 Favored 'General case' 0 C--N 1.303 -1.45 0 C-N-CA 119.221 -0.992 . . . . 0.0 109.565 -179.193 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -62.87 -40.94 99.03 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.954 -1.091 . . . . 0.0 108.944 179.088 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -60.43 -39.98 89.44 Favored 'General case' 0 N--CA 1.49 1.553 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 178.811 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 12' ' ' HIS . . . . . 0.533 ' O ' ' N ' ' B' ' 16' ' ' HIS . 13.7 t60 -61.85 -48.07 82.21 Favored 'General case' 0 C--N 1.306 -1.285 0 O-C-N 121.451 -0.78 . . . . 0.0 110.113 179.633 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 35.0 tp10 -59.75 -41.73 91.62 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 120.973 -1.079 . . . . 0.0 110.209 -179.154 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 55.1 mtpt -60.8 -33.09 72.47 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.534 -0.729 . . . . 0.0 112.5 -178.432 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -138.9 -4.49 1.55 Allowed 'General case' 0 N--CA 1.508 2.44 0 O-C-N 120.708 -1.245 . . . . 0.0 112.63 -176.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.533 ' N ' ' O ' ' B' ' 12' ' ' HIS . 90.7 m-70 53.77 42.13 31.87 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.436 -1.415 . . . . 0.0 107.316 -177.298 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 91.8 p -63.25 156.45 25.46 Favored 'General case' 0 C--N 1.305 -1.356 0 CA-C-O 121.428 0.632 . . . . 0.0 110.56 -178.486 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -73.08 156.45 38.71 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.445 -0.784 . . . . 0.0 109.489 179.762 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 36.5 p-90 -54.33 -30.11 50.27 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.25 -0.906 . . . . 0.0 110.258 -179.407 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 59.4 mtp180 -61.3 -40.71 95.18 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.026 -1.046 . . . . 0.0 109.491 -179.65 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.71 -50.03 54.1 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.455 -0.778 . . . . 0.0 109.709 -179.464 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 78.8 mtm -60.81 -40.11 91.49 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.197 -0.939 . . . . 0.0 109.571 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.504 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -59.91 -47.09 87.18 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.062 -1.024 . . . . 0.0 109.117 179.749 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 54.9 m -70.16 -36.48 74.73 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.366 -0.834 . . . . 0.0 110.282 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -60.67 -40.39 91.95 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.253 -0.904 . . . . 0.0 109.905 -179.046 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 26' ' ' PHE . . . . . 0.461 ' O ' ' OD1' ' B' ' 27' ' ' ASN . 96.7 m-85 -111.42 5.96 19.98 Favored 'General case' 0 N--CA 1.502 2.136 0 O-C-N 121.48 -0.763 . . . . 0.0 110.109 179.789 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 27' ' ' ASN . . . . . 0.589 ' ND2' ' O ' ' B' ' 27' ' ' ASN . 1.6 p-10 50.35 41.83 25.17 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.347 -0.846 . . . . 0.0 111.088 179.461 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 83.4 mt -106.47 147.79 35.58 Favored Pre-proline 0 N--CA 1.506 2.366 0 O-C-N 120.725 -1.234 . . . . 0.0 109.287 179.234 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -48.29 146.48 9.86 Favored 'Trans proline' 0 N--CA 1.491 1.341 0 C-N-CA 121.259 1.306 . . . . 0.0 111.184 178.749 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_exo -44.22 -34.24 6.76 Favored 'Trans proline' 0 C--N 1.31 -1.452 0 C-N-CA 121.884 1.722 . . . . 0.0 111.626 179.208 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.419 HG11 HD11 ' A' ' 5' ' ' ILE . 47.5 t -51.53 -51.36 25.96 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.624 -0.673 . . . . 0.0 110.701 -178.462 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 98.0 t -64.59 -49.09 82.07 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.736 0 C-N-CA 118.624 -1.23 . . . . 0.0 109.383 -179.057 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.37 -45.72 86.53 Favored 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 119.881 -0.728 . . . . 0.0 109.837 179.738 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 10.1 mtpm? -61.32 -36.69 80.83 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.862 -1.149 . . . . 0.0 109.708 179.802 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.3 tm-20 -61.12 -39.16 88.96 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.159 -0.963 . . . . 0.0 110.228 -179.617 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 67.3 mt -59.69 -40.47 82.4 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 120.912 -1.117 . . . . 0.0 108.718 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 69.0 t -60.45 -39.33 80.8 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.417 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 178.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 38' ' ' ALA . . . . . 0.538 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -61.26 -30.71 70.62 Favored 'General case' 0 N--CA 1.488 1.447 0 CA-C-O 121.705 0.764 . . . . 0.0 109.381 179.077 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 31.7 m -78.71 -29.67 45.54 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.212 -0.93 . . . . 0.0 109.594 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 41.0 t -83.03 101.65 11.25 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.24 -0.912 . . . . 0.0 109.249 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -60.77 -30.27 69.92 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.446 -0.784 . . . . 0.0 110.067 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 87.6 mttt -68.24 -41.41 81.23 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.084 -1.01 . . . . 0.0 110.234 -178.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 58.5 m -82.38 -29.72 30.71 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.939 -1.101 . . . . 0.0 109.63 179.531 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 44' ' ' GLN . . . . . 0.538 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 11.6 tt0 . . . . . 0 N--CA 1.493 1.675 0 O-C-N 121.191 -0.943 . . . . 0.0 108.817 -179.705 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 . . . . . 0 N--CA 1.49 1.559 0 CA-C-O 121.532 0.682 . . . . 0.0 109.407 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 23.1 mt -73.69 -40.07 63.9 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.349 -0.845 . . . . 0.0 111.369 -178.862 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -63.95 -46.16 85.93 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 120.857 -1.152 . . . . 0.0 110.949 -178.266 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.16 -47.57 52.21 Favored Glycine 0 N--CA 1.491 2.366 0 N-CA-C 109.478 -1.449 . . . . 0.0 109.478 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.601 HD11 HG11 ' B' ' 31' ' ' VAL . 91.2 mt -59.36 -39.21 78.45 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.34 -1.094 . . . . 0.0 110.223 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -53.15 -49.46 66.56 Favored 'General case' 0 N--CA 1.485 1.318 0 O-C-N 120.866 -1.146 . . . . 0.0 109.119 -178.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -69.13 -39.83 78.62 Favored 'General case' 0 N--CA 1.493 1.682 0 C-N-CA 118.975 -1.09 . . . . 0.0 109.175 178.799 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.29 -38.95 88.96 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.538 -0.726 . . . . 0.0 109.861 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -58.08 -40.43 81.07 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.347 -0.846 . . . . 0.0 109.15 -179.314 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 35.0 tp10 -60.84 -41.84 96.6 Favored 'General case' 0 N--CA 1.485 1.289 0 O-C-N 120.891 -1.131 . . . . 0.0 108.226 179.376 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 20.9 tp10 -61.61 -39.89 92.87 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.242 -0.912 . . . . 0.0 109.033 178.781 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.526 ' O ' ' N ' ' A' ' 16' ' ' HIS . 13.9 t60 -61.06 -47.27 87.13 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.48 -0.763 . . . . 0.0 109.886 179.482 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 78.0 tt0 -60.45 -41.97 95.18 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.13 -0.981 . . . . 0.0 110.752 -179.187 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -62.49 -30.24 71.12 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.463 -0.773 . . . . 0.0 112.833 -177.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -140.98 -3.64 1.23 Allowed 'General case' 0 N--CA 1.503 2.192 0 O-C-N 120.769 -1.207 . . . . 0.0 112.06 -177.424 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.526 ' N ' ' O ' ' A' ' 12' ' ' HIS . 84.3 m-70 54.2 41.73 31.86 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 107.314 -1.365 . . . . 0.0 107.314 -177.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 91.2 p -62.16 155.38 24.59 Favored 'General case' 0 N--CA 1.488 1.44 0 CA-C-O 121.333 0.587 . . . . 0.0 110.23 -179.123 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 -74.72 162.62 28.54 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.276 -0.89 . . . . 0.0 109.617 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 34.6 p-90 -58.8 -30.44 67.61 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.943 -1.098 . . . . 0.0 110.329 -179.5 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 56.1 mtp180 -62.91 -39.62 95.1 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.11 -0.993 . . . . 0.0 109.765 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.67 -49.16 56.25 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.162 -0.961 . . . . 0.0 109.119 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 78.0 mtm -60.77 -39.95 90.73 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.118 -0.989 . . . . 0.0 109.721 179.524 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.49 -48.56 80.4 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 120.936 -1.103 . . . . 0.0 109.1 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 13.8 m -70.4 -33.92 71.94 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.453 -0.78 . . . . 0.0 110.363 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 52.9 t0 -63.03 -43.4 98.8 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.35 -0.844 . . . . 0.0 110.808 -178.577 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -108.16 -0.25 21.14 Favored 'General case' 0 N--CA 1.503 2.202 0 O-C-N 121.179 -0.951 . . . . 0.0 110.419 -179.551 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 12.4 m120 59.02 49.86 8.97 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.349 -0.845 . . . . 0.0 109.593 179.714 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 63.7 mt -115.63 152.23 47.02 Favored Pre-proline 0 N--CA 1.504 2.247 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 14.8 Cg_endo -58.49 160.84 15.83 Favored 'Trans proline' 0 C--N 1.316 -1.158 0 C-N-CA 121.163 1.242 . . . . 0.0 110.666 179.028 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_endo -56.1 -33.35 89.76 Favored 'Trans proline' 0 C--N 1.304 -1.798 0 C-N-CA 122.514 2.143 . . . . 0.0 111.864 -179.226 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.548 HG11 HD11 ' B' ' 5' ' ' ILE . 68.1 t -56.91 -48.69 81.02 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.155 -0.966 . . . . 0.0 110.099 -179.118 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.433 HG13 HD11 ' A' ' 5' ' ' ILE . 50.5 t -66.49 -47.95 82.14 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.783 0 C-N-CA 118.379 -1.328 . . . . 0.0 109.306 -178.892 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.52 -45.18 80.34 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.191 -0.943 . . . . 0.0 109.906 179.76 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.2 mtpm? -62.11 -36.57 82.15 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.998 -1.064 . . . . 0.0 110.371 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.7 tm-20 -60.83 -39.05 87.61 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.846 -1.159 . . . . 0.0 109.753 -179.097 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 60.0 mt -60.06 -40.23 82.66 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.418 0 O-C-N 121.034 -1.041 . . . . 0.0 109.13 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 75.6 t -62.76 -39.59 85.43 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.37 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 179.157 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.31 -32.9 71.66 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.386 -0.821 . . . . 0.0 109.295 179.19 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.8 m -76.7 -30.83 56.86 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.041 -1.037 . . . . 0.0 109.509 -179.628 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 36.8 t -80.36 103.06 9.98 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.155 -0.966 . . . . 0.0 108.835 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -60.4 -29.51 69.01 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.293 -0.879 . . . . 0.0 109.969 -179.31 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -70.05 -40.08 75.32 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.262 -0.899 . . . . 0.0 110.606 -178.476 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 82.3 m -87.7 -16.41 34.38 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.988 -1.07 . . . . 0.0 109.9 179.732 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 . . . . . 0 N--CA 1.491 1.599 0 O-C-N 121.392 -0.818 . . . . 0.0 109.265 -178.944 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 . . . . . 0 N--CA 1.492 1.642 0 CA-C-O 121.454 0.645 . . . . 0.0 109.619 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 24.4 mt -72.95 -40.11 65.64 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.27 -0.894 . . . . 0.0 111.373 -178.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -63.69 -45.7 88.86 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.906 -1.122 . . . . 0.0 110.959 -178.43 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.24 -47.59 51.46 Favored Glycine 0 N--CA 1.493 2.498 0 N-CA-C 109.54 -1.424 . . . . 0.0 109.54 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 5' ' ' ILE . . . . . 0.548 HD11 HG11 ' A' ' 31' ' ' VAL . 90.3 mt -59.72 -38.5 76.19 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.554 0 O-C-N 121.376 -1.073 . . . . 0.0 110.266 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 48.5 t0 -54.4 -49.77 69.15 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 120.847 -1.158 . . . . 0.0 108.896 -178.857 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -68.54 -40.27 80.76 Favored 'General case' 0 N--CA 1.49 1.542 0 C-N-CA 119.254 -0.978 . . . . 0.0 109.298 178.763 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.14 -38.13 87.39 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.426 -0.796 . . . . 0.0 109.672 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 9' ' ' GLN . . . . . 0.408 ' N ' ' O ' ' B' ' 5' ' ' ILE . 57.7 tt0 -58.61 -40.04 82.15 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.102 -0.999 . . . . 0.0 109.198 -179.263 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 34.0 tp10 -60.95 -42.7 98.74 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 120.865 -1.147 . . . . 0.0 108.599 178.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 20.1 tp10 -60.75 -40.35 92.1 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.346 -0.847 . . . . 0.0 108.973 178.812 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 12' ' ' HIS . . . . . 0.569 ' O ' ' N ' ' B' ' 16' ' ' HIS . 13.2 t60 -60.59 -47.77 84.75 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.215 -0.928 . . . . 0.0 109.989 179.69 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 77.2 tt0 -60.09 -42.41 94.59 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.19 -0.943 . . . . 0.0 110.682 -179.225 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 56.0 mtpt -61.97 -30.7 71.1 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 121.354 -0.841 . . . . 0.0 112.765 -178.222 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -140.77 -4.15 1.24 Allowed 'General case' 0 N--CA 1.503 2.192 0 O-C-N 120.466 -1.396 . . . . 0.0 111.85 -177.172 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.569 ' N ' ' O ' ' B' ' 12' ' ' HIS . 85.1 m-70 54.8 42.01 31.48 Favored 'General case' 0 N--CA 1.496 1.874 0 N-CA-C 107.426 -1.324 . . . . 0.0 107.426 -177.562 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 99.0 p -62.38 155.97 23.76 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.489 -0.757 . . . . 0.0 110.0 -178.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -75.15 162.63 28.33 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.106 -0.996 . . . . 0.0 109.612 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 34.5 p-90 -58.48 -30.7 67.19 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.024 -1.048 . . . . 0.0 110.083 -179.508 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 56.3 mtp180 -62.59 -40.28 96.4 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.954 -1.091 . . . . 0.0 109.743 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.38 -48.13 62.11 Favored 'General case' 0 C--N 1.298 -1.638 0 C-N-CA 119.502 -0.879 . . . . 0.0 109.286 -179.672 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 78.0 mtm -61.97 -39.94 93.86 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.283 -0.886 . . . . 0.0 109.909 179.782 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.38 -48.59 80.13 Favored 'General case' 0 C--N 1.3 -1.582 0 C-N-CA 119.345 -0.942 . . . . 0.0 108.696 179.745 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 14.4 m -70.57 -33.52 71.19 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.379 -0.826 . . . . 0.0 110.438 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 51.1 t0 -63.21 -43.94 96.72 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.961 -1.087 . . . . 0.0 110.679 -178.585 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -107.63 0.58 22.61 Favored 'General case' 0 N--CA 1.502 2.166 0 O-C-N 121.235 -0.915 . . . . 0.0 110.373 -179.539 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 13.6 m120 58.33 49.81 10.47 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.372 -0.83 . . . . 0.0 109.619 179.782 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 66.3 mt -115.0 151.97 46.09 Favored Pre-proline 0 N--CA 1.503 2.217 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 179.776 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -58.71 160.54 17.34 Favored 'Trans proline' 0 N--CA 1.489 1.227 0 C-N-CA 121.43 1.42 . . . . 0.0 110.515 179.085 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -55.9 -32.67 86.23 Favored 'Trans proline' 0 C--N 1.307 -1.653 0 C-N-CA 122.538 2.159 . . . . 0.0 112.038 -179.252 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.601 HG11 HD11 ' A' ' 5' ' ' ILE . 72.7 t -57.89 -48.81 83.03 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.643 0 O-C-N 121.257 -0.902 . . . . 0.0 110.184 -179.032 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 32' ' ' VAL . . . . . 0.405 HG13 HD11 ' B' ' 5' ' ' ILE . 56.4 t -66.43 -47.49 83.71 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.887 0 C-N-CA 118.155 -1.418 . . . . 0.0 109.328 -178.898 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.55 -44.81 81.36 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.166 -0.958 . . . . 0.0 110.048 179.476 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 10.3 mtpm? -62.64 -36.9 84.3 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.851 -1.156 . . . . 0.0 110.243 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.2 tm-20 -60.12 -39.54 86.62 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.998 -1.064 . . . . 0.0 110.096 -179.664 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 59.8 mt -59.99 -40.41 83.0 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 120.991 -1.068 . . . . 0.0 108.815 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 76.0 t -62.03 -40.28 86.79 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.501 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 179.069 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.61 -33.27 71.26 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.574 -0.704 . . . . 0.0 109.561 179.438 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 61.5 m -76.43 -30.67 57.48 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.378 -0.826 . . . . 0.0 109.927 -179.702 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 38.1 t -80.6 102.95 10.12 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.181 -0.949 . . . . 0.0 109.096 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -60.15 -29.69 68.82 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.196 -0.94 . . . . 0.0 110.154 -179.666 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -70.12 -39.87 75.19 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.29 -0.881 . . . . 0.0 110.453 -178.297 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 84.5 m -87.82 -16.06 35.13 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 120.868 -1.145 . . . . 0.0 109.851 179.496 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 26.4 tt0 . . . . . 0 N--CA 1.493 1.698 0 O-C-N 121.178 -0.951 . . . . 0.0 109.1 -178.808 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 76.6 m-85 . . . . . 0 N--CA 1.492 1.64 0 CA-C-O 121.268 0.556 . . . . 0.0 109.721 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 29.3 mt -70.98 -43.58 67.75 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.307 -0.87 . . . . 0.0 110.644 -178.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -62.94 -44.9 94.81 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.219 -0.926 . . . . 0.0 110.19 -179.017 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.3 -49.79 54.79 Favored Glycine 0 N--CA 1.495 2.599 0 N-CA-C 109.951 -1.26 . . . . 0.0 109.951 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 93.6 mt -59.46 -39.11 78.34 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.608 0 O-C-N 121.275 -1.132 . . . . 0.0 110.108 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -53.82 -42.11 68.06 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 120.659 -1.276 . . . . 0.0 108.866 -179.434 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 9.6 mtmp? -69.99 -45.34 67.52 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.14 -0.975 . . . . 0.0 109.494 178.779 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.96 -36.62 82.6 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.529 -0.732 . . . . 0.0 109.613 179.735 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -56.47 -39.96 74.08 Favored 'General case' 0 C--N 1.302 -1.466 0 C-N-CA 119.228 -0.989 . . . . 0.0 108.899 -179.498 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -62.64 -43.21 99.39 Favored 'General case' 0 C--N 1.304 -1.411 0 C-N-CA 118.941 -1.104 . . . . 0.0 109.27 179.53 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 23.6 tp10 -60.98 -40.3 92.93 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.042 -1.036 . . . . 0.0 108.638 179.362 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.498 ' O ' ' N ' ' A' ' 16' ' ' HIS . 13.2 t60 -61.47 -47.0 87.68 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.21 -0.931 . . . . 0.0 110.301 179.217 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.4 tp10 -59.58 -41.03 89.29 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.0 -1.063 . . . . 0.0 110.283 -178.862 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt -63.37 -31.82 73.09 Favored 'General case' 0 N--CA 1.497 1.914 0 N-CA-C 113.112 0.782 . . . . 0.0 113.112 -178.564 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -140.11 -2.13 1.5 Allowed 'General case' 0 N--CA 1.51 2.549 0 O-C-N 120.527 -1.358 . . . . 0.0 112.237 -177.171 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.498 ' N ' ' O ' ' A' ' 12' ' ' HIS . 88.3 m-70 53.22 45.12 29.22 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.445 -1.409 . . . . 0.0 107.487 -177.704 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 90.1 p -67.01 153.17 44.32 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.482 -0.761 . . . . 0.0 109.879 -178.615 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -71.78 160.34 32.77 Favored 'General case' 0 C--N 1.304 -1.385 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 179.593 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 41.6 p-90 -57.53 -29.5 64.41 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 121.267 -0.896 . . . . 0.0 110.531 -179.254 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -62.05 -40.94 97.48 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.163 -0.961 . . . . 0.0 109.907 -179.447 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.04 -49.31 62.21 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.471 -0.768 . . . . 0.0 110.0 -179.359 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 78.7 mtm -61.61 -39.94 93.05 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 120.937 -1.102 . . . . 0.0 109.473 179.74 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.481 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -54.42 -47.86 72.32 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.13 -0.981 . . . . 0.0 108.722 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 8.3 t -70.24 -36.97 74.86 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.359 -0.838 . . . . 0.0 110.391 179.449 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 61.6 t0 -60.72 -41.12 94.66 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.05 -1.031 . . . . 0.0 110.755 -178.854 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -110.62 0.5 17.58 Favored 'General case' 0 N--CA 1.503 2.18 0 O-C-N 121.33 -0.856 . . . . 0.0 109.611 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.481 ' N ' ' O ' ' A' ' 23' ' ' ALA . 65.4 t30 57.13 48.3 15.64 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.407 -0.808 . . . . 0.0 110.008 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 58.4 mt -114.76 152.88 46.78 Favored Pre-proline 0 N--CA 1.501 2.09 0 O-C-N 121.301 -0.874 . . . . 0.0 109.035 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -60.85 148.77 91.22 Favored 'Trans proline' 0 C--N 1.313 -1.307 0 C-N-CA 121.747 1.631 . . . . 0.0 111.422 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_exo -44.71 -33.59 7.21 Favored 'Trans proline' 0 C--N 1.311 -1.435 0 C-N-CA 121.7 1.6 . . . . 0.0 111.338 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 16.2 t -52.47 -52.2 27.85 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.675 0 O-C-N 121.291 -0.881 . . . . 0.0 110.579 -178.776 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 58.1 t -67.64 -48.07 77.76 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.713 0 C-N-CA 118.6 -1.24 . . . . 0.0 109.339 -178.808 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.51 -42.25 95.91 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.281 -0.887 . . . . 0.0 110.037 179.748 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -62.78 -35.96 81.55 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.704 -1.248 . . . . 0.0 110.55 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.6 tm-20 -60.49 -38.41 84.22 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 120.961 -1.087 . . . . 0.0 109.792 -179.381 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 34.9 mt -60.3 -40.22 83.2 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.414 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 74.5 t -64.75 -40.15 88.1 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.443 0 O-C-N 121.214 -0.929 . . . . 0.0 109.086 179.336 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.67 -30.58 70.83 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.173 -0.954 . . . . 0.0 108.788 179.027 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 55.1 m -78.43 -30.68 47.74 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.502 -0.749 . . . . 0.0 109.949 179.752 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 30.4 t -81.11 104.04 11.33 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 120.963 -1.086 . . . . 0.0 109.198 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -60.11 -30.54 69.34 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.693 -0.629 . . . . 0.0 110.899 -179.236 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 63.6 mttm -71.37 -40.06 70.86 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.229 -0.919 . . . . 0.0 110.698 -178.572 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 68.7 m -84.03 -23.02 31.09 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.96 -1.088 . . . . 0.0 109.615 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 44.6 tt0 . . . . . 0 N--CA 1.493 1.71 0 O-C-N 121.281 -0.887 . . . . 0.0 109.493 179.921 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 . . . . . 0 N--CA 1.491 1.593 0 CA-C-O 121.198 0.523 . . . . 0.0 109.776 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 30.5 mt -71.44 -43.83 65.95 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.104 -0.998 . . . . 0.0 110.447 -179.174 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -62.59 -44.08 97.21 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.251 -0.906 . . . . 0.0 110.556 -178.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.35 -48.42 51.94 Favored Glycine 0 N--CA 1.496 2.642 0 N-CA-C 109.665 -1.374 . . . . 0.0 109.665 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 95.3 mt -59.84 -38.44 76.22 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.486 0 O-C-N 121.187 -1.184 . . . . 0.0 110.233 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -55.08 -42.24 72.57 Favored 'General case' 0 C--N 1.3 -1.582 0 C-N-CA 118.756 -1.177 . . . . 0.0 109.094 -179.022 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 9.4 mtmp? -69.73 -44.98 69.19 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.27 -0.894 . . . . 0.0 109.484 178.852 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.55 -35.41 78.99 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.669 -0.645 . . . . 0.0 109.551 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -57.9 -39.87 78.94 Favored 'General case' 0 C--N 1.303 -1.416 0 C-N-CA 119.37 -0.932 . . . . 0.0 108.964 -179.491 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -62.43 -42.01 99.13 Favored 'General case' 0 C--N 1.305 -1.338 0 C-N-CA 118.965 -1.094 . . . . 0.0 109.106 179.29 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 28.1 tp10 -61.69 -41.11 97.14 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.139 -0.976 . . . . 0.0 108.69 179.205 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 12' ' ' HIS . . . . . 0.481 ' O ' ' N ' ' B' ' 16' ' ' HIS . 13.7 t60 -60.79 -46.64 89.71 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.251 -0.906 . . . . 0.0 110.137 179.369 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 50.4 tp10 -59.55 -41.06 89.24 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.089 -1.007 . . . . 0.0 110.136 -179.09 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -63.58 -31.97 73.3 Favored 'General case' 0 N--CA 1.493 1.694 0 N-CA-C 113.021 0.748 . . . . 0.0 113.021 -178.388 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -139.92 -2.1 1.54 Allowed 'General case' 0 N--CA 1.509 2.492 0 O-C-N 120.452 -1.405 . . . . 0.0 112.255 -177.288 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.481 ' N ' ' O ' ' B' ' 12' ' ' HIS . 85.3 m-70 53.9 42.36 31.73 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.468 -1.395 . . . . 0.0 107.395 -177.83 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 93.3 p -64.75 153.28 40.29 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.548 -0.72 . . . . 0.0 110.045 -178.675 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -71.63 160.11 33.23 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.499 -0.75 . . . . 0.0 109.043 179.766 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 41.7 p-90 -57.64 -29.51 64.64 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.377 -0.827 . . . . 0.0 110.395 -179.277 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -62.06 -41.52 98.24 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.172 -0.955 . . . . 0.0 109.751 -179.629 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.56 -50.05 60.37 Favored 'General case' 0 C--N 1.298 -1.647 0 O-C-N 121.454 -0.779 . . . . 0.0 109.814 -179.202 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 78.8 mtm -60.95 -39.88 91.18 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.084 -1.01 . . . . 0.0 109.508 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.474 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -54.83 -48.45 72.83 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.058 -1.026 . . . . 0.0 108.775 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 8.1 t -70.23 -35.84 74.12 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.368 -0.833 . . . . 0.0 110.398 179.715 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -60.47 -42.51 96.4 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.243 -0.911 . . . . 0.0 110.375 -179.166 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -109.94 1.65 19.24 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.507 -0.746 . . . . 0.0 109.818 -179.64 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 27' ' ' ASN . . . . . 0.474 ' N ' ' O ' ' B' ' 23' ' ' ALA . 66.5 t30 56.87 46.39 19.8 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.431 -0.793 . . . . 0.0 110.179 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 61.4 mt -112.74 153.1 45.18 Favored Pre-proline 0 N--CA 1.503 2.177 0 O-C-N 121.176 -0.953 . . . . 0.0 109.189 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -61.07 149.71 87.79 Favored 'Trans proline' 0 N--CA 1.49 1.309 0 C-N-CA 121.594 1.529 . . . . 0.0 111.504 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -44.98 -34.45 8.91 Favored 'Trans proline' 0 C--N 1.314 -1.246 0 C-N-CA 121.686 1.591 . . . . 0.0 111.628 179.615 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 14.1 t -51.84 -52.09 24.49 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.389 -0.819 . . . . 0.0 110.681 -178.614 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 59.9 t -67.49 -48.68 76.26 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.733 0 C-N-CA 118.861 -1.136 . . . . 0.0 109.461 -178.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.58 -42.4 95.65 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.336 -0.853 . . . . 0.0 110.168 179.685 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 57.6 mtpt -62.95 -34.28 77.15 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 120.863 -1.148 . . . . 0.0 110.765 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.3 tm-20 -61.14 -39.81 91.47 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.043 -1.035 . . . . 0.0 109.569 -179.514 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 32.5 mt -59.72 -40.55 82.72 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.393 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 -179.318 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 69.6 t -64.53 -40.15 88.07 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.559 0 O-C-N 121.342 -0.849 . . . . 0.0 108.885 179.342 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 38' ' ' ALA . . . . . 0.467 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -61.99 -30.76 71.16 Favored 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 179.013 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 66.6 m -78.25 -30.76 48.82 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.543 -0.723 . . . . 0.0 109.513 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 36.6 t -80.88 105.41 12.09 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.14 -0.975 . . . . 0.0 109.219 -179.738 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 -60.52 -31.46 70.53 Favored 'General case' 0 N--CA 1.492 1.664 0 CA-C-O 121.213 0.53 . . . . 0.0 111.007 -179.424 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 63.9 mttm -70.76 -40.26 72.75 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.958 -1.089 . . . . 0.0 111.048 -178.644 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 69.3 m -84.24 -22.85 30.68 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.068 -1.02 . . . . 0.0 109.668 -179.502 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 44' ' ' GLN . . . . . 0.467 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 6.7 tt0 . . . . . 0 N--CA 1.492 1.631 0 O-C-N 121.301 -0.874 . . . . 0.0 109.086 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 . . . . . 0 N--CA 1.489 1.504 0 CA-C-O 121.444 0.64 . . . . 0.0 109.522 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 51.5 mt -71.13 -41.35 70.62 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.249 -0.907 . . . . 0.0 111.003 -178.843 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 48.3 t0 -62.47 -48.1 81.11 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.676 -1.265 . . . . 0.0 111.442 -178.54 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.38 -49.2 53.41 Favored Glycine 0 N--CA 1.49 2.251 0 N-CA-C 108.86 -1.696 . . . . 0.0 108.86 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.548 HD11 HG11 ' B' ' 31' ' ' VAL . 75.7 mt -56.12 -39.17 57.24 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.538 0 O-C-N 121.452 -1.028 . . . . 0.0 110.332 179.66 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 85.9 m-20 -55.15 -45.81 75.67 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.596 -1.315 . . . . 0.0 109.747 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 46.5 mtpt -70.66 -44.59 66.76 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.44 -0.788 . . . . 0.0 109.165 179.167 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.37 -34.31 78.01 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 -179.666 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' A' ' 5' ' ' ILE . 60.0 tt0 -58.23 -41.27 83.76 Favored 'General case' 0 C--N 1.305 -1.357 0 C-N-CA 119.787 -0.765 . . . . 0.0 108.946 -179.394 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -62.19 -39.7 93.57 Favored 'General case' 0 C--N 1.301 -1.518 0 C-N-CA 119.019 -1.072 . . . . 0.0 108.301 179.49 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.7 tm-20 -61.26 -40.79 95.4 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 179.504 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.54 ' O ' ' N ' ' A' ' 16' ' ' HIS . 16.3 t60 -63.72 -43.69 95.79 Favored 'General case' 0 C--N 1.302 -1.46 0 C-N-CA 119.26 -0.976 . . . . 0.0 110.136 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 -62.21 -42.54 99.39 Favored 'General case' 0 C--N 1.296 -1.724 0 O-C-N 121.242 -0.912 . . . . 0.0 110.514 -179.038 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 56.8 mtpt -61.59 -34.35 75.47 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.553 -0.717 . . . . 0.0 112.302 -178.446 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 -136.27 -5.21 2.08 Favored 'General case' 0 N--CA 1.507 2.381 0 O-C-N 120.953 -1.092 . . . . 0.0 112.68 -176.718 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.54 ' N ' ' O ' ' A' ' 12' ' ' HIS . 91.1 m-70 54.75 45.53 26.52 Favored 'General case' 0 N--CA 1.493 1.712 0 N-CA-C 106.881 -1.525 . . . . 0.0 106.881 -176.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 91.6 p -67.52 154.28 41.78 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.42 -0.8 . . . . 0.0 109.796 -179.186 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 30.7 m120 -71.81 159.08 34.93 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.409 -0.807 . . . . 0.0 109.279 179.398 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 48.0 p-90 -57.76 -28.99 64.44 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.033 -1.042 . . . . 0.0 110.168 -179.649 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -62.2 -41.3 98.22 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 120.739 -1.225 . . . . 0.0 109.365 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.08 -49.69 64.22 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.208 -0.933 . . . . 0.0 109.619 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 79.4 mtm -61.2 -39.57 90.7 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.542 -0.724 . . . . 0.0 109.835 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.541 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -59.36 -46.57 88.28 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 179.812 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.1 t -69.2 -37.89 78.34 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.23 -0.919 . . . . 0.0 110.06 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 56.8 t0 -60.04 -39.92 87.59 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.297 -0.877 . . . . 0.0 110.388 -178.726 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -111.26 -0.1 16.55 Favored 'General case' 0 N--CA 1.502 2.157 0 O-C-N 121.302 -0.874 . . . . 0.0 109.645 179.79 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.541 ' N ' ' O ' ' A' ' 23' ' ' ALA . 52.0 t30 55.58 50.77 13.83 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.484 -0.76 . . . . 0.0 110.396 179.257 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 67.1 mt -117.01 150.11 45.37 Favored Pre-proline 0 N--CA 1.508 2.445 0 O-C-N 121.13 -0.981 . . . . 0.0 110.514 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -44.95 156.8 0.23 Allowed 'Trans proline' 0 N--CA 1.486 1.053 0 C-N-CA 121.439 1.426 . . . . 0.0 110.87 178.167 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.413 ' O ' ' N ' ' A' ' 34' ' ' LYS . 9.9 Cg_endo -56.91 -31.42 89.3 Favored 'Trans proline' 0 C--N 1.306 -1.675 0 C-N-CA 121.658 1.572 . . . . 0.0 111.349 179.182 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.499 HG11 HD11 ' B' ' 5' ' ' ILE . 61.3 t -55.36 -48.47 76.81 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.555 -0.715 . . . . 0.0 110.562 -178.395 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.525 HG13 HD11 ' A' ' 5' ' ' ILE . 69.2 t -66.89 -50.46 64.72 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.879 0 O-C-N 120.871 -1.143 . . . . 0.0 109.921 -179.156 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.82 -40.41 91.81 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 121.117 -0.989 . . . . 0.0 109.587 179.672 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' A' ' 30' ' ' PRO . 13.8 mmmt -62.1 -40.45 95.89 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.366 -0.834 . . . . 0.0 109.494 179.504 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.7 tm-20 -59.65 -40.08 86.5 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.185 -0.947 . . . . 0.0 110.65 -178.499 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 21.7 mt -59.82 -43.78 92.62 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 O-C-N 120.949 -1.095 . . . . 0.0 108.487 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 75.4 t -64.07 -39.95 87.29 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.886 0 C-N-CA 119.312 -0.955 . . . . 0.0 109.004 179.293 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.52 -34.75 73.02 Favored 'General case' 0 C--N 1.297 -1.708 0 CA-C-O 121.512 0.672 . . . . 0.0 110.345 -179.446 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.7 m -78.53 -23.92 45.97 Favored 'General case' 0 C--N 1.295 -1.781 0 O-C-N 121.336 -0.853 . . . . 0.0 110.332 -178.649 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 43.0 t -80.81 100.94 9.06 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.043 -1.036 . . . . 0.0 109.236 -179.551 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 -60.07 -30.2 69.06 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.383 -0.823 . . . . 0.0 110.416 -179.216 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 64.3 mttm -69.07 -30.01 68.25 Favored 'General case' 0 C--N 1.297 -1.684 0 O-C-N 120.845 -1.159 . . . . 0.0 110.724 -178.37 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 25.7 m -91.41 -59.86 2.03 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.073 -1.017 . . . . 0.0 112.656 -178.661 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.428 ' NE2' ' OE1' ' B' ' 44' ' ' GLN . 14.3 tt0 . . . . . 0 N--CA 1.503 2.199 0 O-C-N 120.757 -1.215 . . . . 0.0 112.893 -176.467 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 . . . . . 0 N--CA 1.489 1.502 0 CA-C-O 121.653 0.74 . . . . 0.0 109.364 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 48.2 mt -70.28 -38.72 75.11 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.646 -0.659 . . . . 0.0 111.138 -178.804 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -64.24 -47.46 79.57 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.011 -1.056 . . . . 0.0 111.295 -178.204 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.28 -46.91 55.25 Favored Glycine 0 N--CA 1.491 2.331 0 N-CA-C 109.307 -1.517 . . . . 0.0 109.307 -179.56 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 5' ' ' ILE . . . . . 0.528 ' O ' ' N ' ' B' ' 9' ' ' GLN . 68.8 mt -58.14 -39.88 74.9 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.574 -0.957 . . . . 0.0 109.778 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -55.05 -46.08 75.32 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.606 -1.309 . . . . 0.0 109.448 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 44.1 mtpt -69.18 -43.5 74.1 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.068 -1.02 . . . . 0.0 109.074 178.856 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.69 -34.06 77.01 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.691 -0.631 . . . . 0.0 109.546 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 9' ' ' GLN . . . . . 0.528 ' N ' ' O ' ' B' ' 5' ' ' ILE . 58.5 tt0 -57.86 -42.06 83.71 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.347 -0.846 . . . . 0.0 109.155 -179.599 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -61.36 -41.92 97.85 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 121.215 -0.928 . . . . 0.0 108.758 179.167 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 10.1 tm-20 -60.02 -39.92 87.51 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.29 -0.881 . . . . 0.0 109.144 179.215 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 12' ' ' HIS . . . . . 0.56 ' O ' ' N ' ' B' ' 16' ' ' HIS . 15.7 t60 -64.43 -43.69 93.53 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.047 -1.033 . . . . 0.0 109.95 179.799 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 72.6 tt0 -62.64 -42.39 99.57 Favored 'General case' 0 C--N 1.298 -1.652 0 O-C-N 121.241 -0.912 . . . . 0.0 110.794 -179.055 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 57.3 mtpt -61.98 -34.9 76.99 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.616 -0.678 . . . . 0.0 112.2 -178.69 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -134.97 -4.19 2.46 Favored 'General case' 0 N--CA 1.509 2.523 0 O-C-N 120.735 -1.228 . . . . 0.0 112.734 -177.014 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.56 ' N ' ' O ' ' B' ' 12' ' ' HIS . 89.8 m-70 54.17 43.84 30.04 Favored 'General case' 0 N--CA 1.492 1.643 0 N-CA-C 107.275 -1.38 . . . . 0.0 107.275 -177.102 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 87.5 p -65.52 156.63 31.94 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.39 -0.819 . . . . 0.0 110.536 -178.815 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 29.7 m120 -73.78 159.28 33.16 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.293 -0.879 . . . . 0.0 109.515 179.23 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 44.8 p-90 -58.06 -28.24 64.35 Favored 'General case' 0 C--N 1.297 -1.676 0 O-C-N 121.114 -0.992 . . . . 0.0 110.007 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -63.96 -39.84 95.05 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.05 -1.031 . . . . 0.0 109.513 179.761 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.54 -49.82 50.8 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.359 -0.838 . . . . 0.0 109.102 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 80.1 mtm -60.32 -40.14 89.55 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.39 -0.819 . . . . 0.0 109.663 179.634 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.537 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -58.83 -46.96 86.45 Favored 'General case' 0 C--N 1.304 -1.397 0 C-N-CA 119.0 -1.08 . . . . 0.0 108.767 -179.824 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 26.9 t -69.02 -37.39 78.61 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.095 -1.003 . . . . 0.0 110.103 179.616 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 59.5 t0 -60.2 -40.33 89.68 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.139 -0.976 . . . . 0.0 110.494 -179.509 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -110.04 -2.89 16.79 Favored 'General case' 0 N--CA 1.505 2.304 0 O-C-N 121.039 -1.038 . . . . 0.0 109.988 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 27' ' ' ASN . . . . . 0.537 ' N ' ' O ' ' B' ' 23' ' ' ALA . 43.4 t30 57.39 50.47 11.33 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.787 -0.571 . . . . 0.0 110.309 179.226 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 75.5 mt -116.77 151.25 47.04 Favored Pre-proline 0 N--CA 1.501 2.083 0 O-C-N 121.335 -0.853 . . . . 0.0 110.16 -179.245 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -46.01 156.78 0.44 Allowed 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 121.742 1.628 . . . . 0.0 110.674 178.056 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_endo -57.74 -29.8 86.98 Favored 'Trans proline' 0 C--N 1.305 -1.717 0 C-N-CA 121.652 1.568 . . . . 0.0 110.905 179.174 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.548 HG11 HD11 ' A' ' 5' ' ' ILE . 53.5 t -56.82 -48.86 80.48 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.508 0 O-C-N 121.655 -0.653 . . . . 0.0 110.145 -178.307 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 32' ' ' VAL . . . . . 0.47 HG13 HD11 ' B' ' 5' ' ' ILE . 99.4 t -66.22 -50.13 70.77 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.943 0 C-N-CA 118.584 -1.246 . . . . 0.0 109.452 -178.759 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.17 -42.04 94.06 Favored 'General case' 0 C--N 1.299 -1.63 0 O-C-N 121.583 -0.698 . . . . 0.0 109.736 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 13.7 mmmt -62.06 -38.93 90.62 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.904 -1.122 . . . . 0.0 110.066 179.387 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 14.0 tm-20 -61.02 -40.08 92.22 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.129 -0.982 . . . . 0.0 110.618 -178.708 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 43.3 mt -60.29 -41.11 85.89 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.771 0 O-C-N 120.727 -1.233 . . . . 0.0 108.46 -179.665 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 65.3 t -66.48 -39.29 83.62 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.686 0 O-C-N 121.185 -0.947 . . . . 0.0 108.949 179.112 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.75 -33.32 72.76 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.549 -0.719 . . . . 0.0 110.556 -179.376 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 22.0 m -79.7 -23.29 42.5 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.308 -0.87 . . . . 0.0 109.866 -178.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 48.4 t -80.18 100.15 8.14 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.084 -1.01 . . . . 0.0 108.96 179.482 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -60.31 -29.95 69.18 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 121.528 -0.732 . . . . 0.0 110.117 -179.46 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 63.0 mttm -69.38 -30.9 68.99 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.788 -1.195 . . . . 0.0 111.297 -178.019 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 22.0 m -90.74 -59.32 2.21 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.38 -0.825 . . . . 0.0 112.569 -178.586 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 44' ' ' GLN . . . . . 0.428 ' OE1' ' NE2' ' A' ' 44' ' ' GLN . 45.9 tt0 . . . . . 0 N--CA 1.503 2.194 0 O-C-N 120.487 -1.383 . . . . 0.0 112.731 -176.753 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 1' ' ' PHE . . . . . 0.465 ' O ' HD12 ' A' ' 5' ' ' ILE . 46.4 m-85 . . . . . 0 N--CA 1.49 1.552 0 CA-C-O 121.566 0.698 . . . . 0.0 109.435 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 19.0 mt -71.24 -19.81 62.32 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.604 -0.685 . . . . 0.0 111.548 -178.654 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.547 ' OD1' ' N ' ' A' ' 3' ' ' ASP . 13.4 p-10 -67.65 -65.03 0.74 Allowed 'General case' 0 C--N 1.295 -1.804 0 O-C-N 121.045 -1.034 . . . . 0.0 111.309 -178.522 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.401 ' H ' ' CG ' ' A' ' 3' ' ' ASP . . . -61.05 -40.36 98.4 Favored Glycine 0 N--CA 1.497 2.764 0 N-CA-C 110.144 -1.183 . . . . 0.0 110.144 -179.24 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.495 ' O ' ' N ' ' A' ' 9' ' ' GLN . 96.6 mt -59.75 -40.24 81.95 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.536 0 O-C-N 121.531 -0.982 . . . . 0.0 109.932 -179.464 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 59.4 t0 -54.97 -44.83 74.77 Favored 'General case' 0 N--CA 1.485 1.294 0 O-C-N 120.817 -1.177 . . . . 0.0 108.163 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 60.1 tttp -69.17 -44.64 71.8 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.284 -0.885 . . . . 0.0 109.141 178.674 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.64 -34.15 77.61 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.236 -0.915 . . . . 0.0 109.496 179.464 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.495 ' N ' ' O ' ' A' ' 5' ' ' ILE . 58.5 tt0 -58.23 -42.04 85.44 Favored 'General case' 0 C--N 1.303 -1.456 0 C-N-CA 119.625 -0.83 . . . . 0.0 109.233 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -59.92 -40.44 88.89 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 119.527 -0.869 . . . . 0.0 109.547 179.609 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -60.68 -41.27 94.79 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 179.626 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.546 ' O ' ' N ' ' A' ' 16' ' ' HIS . 16.0 t60 -61.32 -47.02 87.87 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.363 -0.836 . . . . 0.0 110.026 179.382 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 34.1 tp10 -60.28 -41.27 92.99 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.007 -1.058 . . . . 0.0 110.415 -179.323 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.1 mtpp -61.23 -37.03 81.6 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.162 -0.961 . . . . 0.0 112.655 -178.652 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -135.13 -3.96 2.43 Favored 'General case' 0 N--CA 1.507 2.384 0 O-C-N 120.989 -1.07 . . . . 0.0 112.662 -176.62 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.546 ' N ' ' O ' ' A' ' 12' ' ' HIS . 89.2 m-70 55.65 49.92 15.44 Favored 'General case' 0 N--CA 1.496 1.848 0 N-CA-C 107.447 -1.316 . . . . 0.0 107.447 -177.639 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 68.0 p -69.57 154.05 42.57 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.664 -0.648 . . . . 0.0 110.786 -178.568 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -73.24 155.39 39.58 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.41 -0.807 . . . . 0.0 108.954 179.717 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 40.5 p-90 -55.03 -30.34 59.33 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.17 -0.956 . . . . 0.0 110.111 -179.351 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 85.6 mtm180 -62.03 -40.47 95.83 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.072 -1.018 . . . . 0.0 109.931 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.55 -48.69 54.13 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.266 -0.896 . . . . 0.0 109.234 -179.595 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 76.8 mtm -59.94 -39.88 87.05 Favored 'General case' 0 C--N 1.304 -1.409 0 C-N-CA 119.673 -0.811 . . . . 0.0 109.388 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -57.65 -48.44 79.48 Favored 'General case' 0 C--N 1.297 -1.715 0 C-N-CA 119.054 -1.058 . . . . 0.0 109.109 179.591 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 35.1 t -69.91 -35.38 74.56 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.253 -0.904 . . . . 0.0 110.612 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 54.2 m-20 -60.79 -40.03 91.12 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.326 -0.859 . . . . 0.0 110.557 -178.198 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -112.23 -1.63 15.13 Favored 'General case' 0 N--CA 1.502 2.152 0 O-C-N 121.302 -0.874 . . . . 0.0 110.089 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.456 ' N ' ' O ' ' A' ' 23' ' ' ALA . 42.7 t30 59.95 48.72 8.47 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.352 -0.843 . . . . 0.0 109.152 -179.755 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 75.8 mt -111.37 152.29 43.79 Favored Pre-proline 0 N--CA 1.499 1.984 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 179.743 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -59.96 159.81 24.19 Favored 'Trans proline' 0 C--N 1.312 -1.386 0 C-N-CA 121.242 1.295 . . . . 0.0 111.315 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -55.35 -36.3 93.5 Favored 'Trans proline' 0 C--N 1.307 -1.622 0 C-N-CA 122.418 2.079 . . . . 0.0 110.699 -179.523 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 32.3 t -54.01 -48.58 63.9 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.706 0 C-N-CA 119.749 -0.781 . . . . 0.0 110.377 -179.431 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 58.1 t -69.13 -46.66 77.71 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.968 0 C-N-CA 118.522 -1.271 . . . . 0.0 109.673 -178.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.93 -45.03 83.31 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.358 -0.839 . . . . 0.0 109.851 179.721 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp -61.96 -34.89 76.97 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.038 -1.039 . . . . 0.0 110.25 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -63.81 -39.04 93.3 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.054 -1.029 . . . . 0.0 110.383 -179.63 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 59.8 mt -59.81 -40.59 83.06 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 O-C-N 120.841 -1.162 . . . . 0.0 108.442 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 90.6 t -64.04 -38.99 83.86 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.631 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 178.564 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.54 -34.05 73.55 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.545 -0.722 . . . . 0.0 110.264 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.2 m -78.44 -25.25 45.9 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.082 -1.011 . . . . 0.0 109.626 -179.284 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 40.9 t -82.86 101.23 10.84 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.414 -0.804 . . . . 0.0 109.243 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -60.44 -29.76 69.21 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.642 -0.662 . . . . 0.0 110.093 -179.552 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 64.0 mttm -68.96 -39.92 79.21 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 120.848 -1.157 . . . . 0.0 109.968 -178.889 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 67.6 m -86.16 -20.2 28.96 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.153 -0.967 . . . . 0.0 109.878 179.773 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 . . . . . 0 C--N 1.3 -1.563 0 O-C-N 121.049 -1.032 . . . . 0.0 109.057 -179.7 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 1' ' ' PHE . . . . . 0.53 ' O ' HD12 ' B' ' 5' ' ' ILE . 43.9 m-85 . . . . . 0 N--CA 1.491 1.577 0 CA-C-O 121.314 0.578 . . . . 0.0 109.644 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 19.5 mt -73.09 -17.39 61.42 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.575 -0.703 . . . . 0.0 111.345 -178.222 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 3' ' ' ASP . . . . . 0.524 ' OD1' ' N ' ' B' ' 3' ' ' ASP . 14.3 p-10 -69.95 -64.95 0.79 Allowed 'General case' 0 C--N 1.3 -1.569 0 O-C-N 120.843 -1.161 . . . . 0.0 110.85 -178.839 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 4' ' ' GLY . . . . . 0.432 ' H ' ' CG ' ' B' ' 3' ' ' ASP . . . -59.99 -41.57 97.96 Favored Glycine 0 N--CA 1.498 2.832 0 N-CA-C 110.314 -1.114 . . . . 0.0 110.314 -179.514 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 5' ' ' ILE . . . . . 0.53 HD12 ' O ' ' B' ' 1' ' ' PHE . 95.8 mt -59.64 -40.64 82.75 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 O-C-N 121.392 -1.064 . . . . 0.0 110.016 -179.646 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 62.7 t0 -54.88 -44.14 73.82 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 120.756 -1.215 . . . . 0.0 108.593 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 60.2 tttp -69.65 -45.27 68.8 Favored 'General case' 0 N--CA 1.491 1.607 0 C-N-CA 119.521 -0.872 . . . . 0.0 108.935 178.455 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.71 -33.59 76.33 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.496 -0.753 . . . . 0.0 109.538 179.442 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 9' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' B' ' 5' ' ' ILE . 58.9 tt0 -58.68 -41.19 85.63 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.25 -0.906 . . . . 0.0 109.026 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -60.83 -41.64 96.15 Favored 'General case' 0 C--N 1.302 -1.491 0 C-N-CA 119.148 -1.021 . . . . 0.0 109.202 179.197 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -59.48 -39.77 84.79 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.125 -0.984 . . . . 0.0 108.396 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 12' ' ' HIS . . . . . 0.561 ' O ' ' N ' ' B' ' 16' ' ' HIS . 17.0 t60 -62.38 -47.47 84.01 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.063 -1.023 . . . . 0.0 110.182 179.282 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 28.3 tp10 -59.94 -41.79 92.58 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.019 -1.051 . . . . 0.0 110.711 -179.141 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 26.3 mtpp -60.49 -36.16 77.64 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.47 -0.769 . . . . 0.0 112.456 -178.571 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -136.22 -3.91 2.17 Favored 'General case' 0 N--CA 1.506 2.367 0 O-C-N 120.936 -1.103 . . . . 0.0 112.528 -176.845 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.561 ' N ' ' O ' ' B' ' 12' ' ' HIS . 90.4 m-70 56.07 47.77 19.02 Favored 'General case' 0 N--CA 1.498 1.966 0 N-CA-C 107.605 -1.257 . . . . 0.0 107.605 -177.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 78.2 p -66.63 155.15 38.68 Favored 'General case' 0 C--N 1.302 -1.494 0 C-N-CA 119.923 -0.711 . . . . 0.0 110.48 -178.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -74.43 157.56 35.41 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.516 -0.74 . . . . 0.0 109.17 179.306 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 37.1 p-90 -56.38 -30.87 63.24 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.139 -0.976 . . . . 0.0 110.203 -179.618 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 87.6 mtm180 -62.53 -39.6 94.11 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.831 -1.168 . . . . 0.0 109.92 -179.728 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.01 -49.52 50.62 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.322 -0.861 . . . . 0.0 109.312 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 77.8 mtm -59.32 -40.38 86.09 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.363 -0.836 . . . . 0.0 109.551 -179.7 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.485 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -57.5 -47.57 81.58 Favored 'General case' 0 C--N 1.3 -1.577 0 C-N-CA 118.897 -1.121 . . . . 0.0 109.358 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 47.9 t -70.18 -35.53 74.04 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.592 -0.693 . . . . 0.0 110.797 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -60.71 -41.05 94.44 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.153 -0.967 . . . . 0.0 110.257 -178.51 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -111.62 -1.28 15.8 Favored 'General case' 0 N--CA 1.503 2.202 0 O-C-N 121.546 -0.721 . . . . 0.0 110.277 -179.748 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 27' ' ' ASN . . . . . 0.485 ' N ' ' O ' ' B' ' 23' ' ' ALA . 39.7 t30 59.94 46.77 10.69 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.049 -1.032 . . . . 0.0 109.234 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 81.6 mt -109.94 152.44 43.02 Favored Pre-proline 0 N--CA 1.497 1.897 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -60.51 159.91 25.96 Favored 'Trans proline' 0 C--N 1.313 -1.33 0 C-N-CA 121.197 1.264 . . . . 0.0 111.043 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_endo -55.77 -35.65 93.86 Favored 'Trans proline' 0 C--N 1.302 -1.901 0 C-N-CA 122.603 2.202 . . . . 0.0 110.919 -179.359 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 34.1 t -54.86 -48.43 74.09 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.631 0 O-C-N 121.302 -0.874 . . . . 0.0 110.094 -179.574 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 60.0 t -68.87 -46.63 78.89 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.639 0 C-N-CA 118.274 -1.37 . . . . 0.0 109.53 -179.279 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.65 -45.66 82.12 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.165 -0.959 . . . . 0.0 109.758 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 25.8 mtpp -61.71 -34.04 75.09 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.935 -1.103 . . . . 0.0 110.259 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.1 tm-20 -64.03 -39.63 94.52 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.945 -1.097 . . . . 0.0 110.267 -179.445 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 62.6 mt -59.54 -39.77 80.21 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.347 0 O-C-N 120.892 -1.13 . . . . 0.0 108.405 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 90.1 t -64.61 -39.48 85.77 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.565 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 178.786 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.91 -32.52 70.83 Favored 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.292 179.434 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 14.9 m -79.74 -27.58 40.53 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.033 -1.042 . . . . 0.0 109.581 -179.532 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 42.7 t -81.32 102.7 10.59 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.056 -1.028 . . . . 0.0 109.022 179.756 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -61.89 -29.09 69.97 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.734 -0.604 . . . . 0.0 110.306 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -68.98 -39.57 79.32 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.816 -1.177 . . . . 0.0 109.904 -178.859 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 64.0 m -85.73 -22.76 27.63 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.195 -0.94 . . . . 0.0 109.483 179.561 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 . . . . . 0 N--CA 1.49 1.538 0 O-C-N 121.074 -1.016 . . . . 0.0 109.237 -179.689 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 . . . . . 0 N--CA 1.49 1.558 0 CA-C-O 121.313 0.578 . . . . 0.0 109.802 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 16.1 mt -73.37 -41.12 63.79 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.428 -0.795 . . . . 0.0 111.488 -178.434 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -65.33 -42.45 92.9 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 120.562 -1.336 . . . . 0.0 110.638 -178.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.95 -48.6 47.03 Favored Glycine 0 N--CA 1.491 2.334 0 N-CA-C 109.917 -1.273 . . . . 0.0 109.917 -179.487 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.498 HD11 HG11 ' B' ' 31' ' ' VAL . 83.8 mt -59.76 -38.45 76.04 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.625 0 O-C-N 121.455 -1.026 . . . . 0.0 110.256 -179.855 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -55.43 -45.17 76.78 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 120.854 -1.154 . . . . 0.0 109.129 -179.215 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -69.54 -43.25 73.36 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.998 -1.064 . . . . 0.0 109.154 178.679 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.06 -37.84 84.74 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.558 -0.714 . . . . 0.0 109.866 179.775 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.417 ' N ' ' O ' ' A' ' 5' ' ' ILE . 61.3 tt0 -56.38 -40.64 74.93 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.273 -0.892 . . . . 0.0 109.244 -179.617 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 66.4 tt0 -61.17 -43.74 98.41 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.167 -0.958 . . . . 0.0 108.882 179.335 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 23.5 tp10 -60.55 -39.82 89.32 Favored 'General case' 0 C--N 1.306 -1.321 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.559 ' O ' ' N ' ' A' ' 16' ' ' HIS . 17.9 t60 -61.59 -48.08 82.55 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.179 -0.951 . . . . 0.0 109.753 179.594 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 34.7 tp10 -60.44 -41.07 93.27 Favored 'General case' 0 C--N 1.296 -1.744 0 O-C-N 121.188 -0.945 . . . . 0.0 110.365 -179.113 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -62.75 -31.25 72.16 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.333 -0.854 . . . . 0.0 112.677 -178.287 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -140.06 -4.17 1.36 Allowed 'General case' 0 N--CA 1.51 2.533 0 O-C-N 120.539 -1.351 . . . . 0.0 111.935 -177.557 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.559 ' N ' ' O ' ' A' ' 12' ' ' HIS . 88.2 m-70 54.97 43.12 30.39 Favored 'General case' 0 N--CA 1.495 1.796 0 N-CA-C 107.349 -1.352 . . . . 0.0 107.349 -177.255 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 90.9 p -64.29 157.27 26.49 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.579 -0.701 . . . . 0.0 110.707 -178.463 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -73.36 159.92 32.59 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.406 -0.809 . . . . 0.0 109.318 179.707 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.411 ' CD1' ' HD3' ' A' ' 34' ' ' LYS . 36.5 p-90 -57.36 -29.39 63.98 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.182 -0.949 . . . . 0.0 109.851 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -63.97 -40.04 95.5 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.018 -1.051 . . . . 0.0 109.822 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.49 -49.63 58.28 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.145 -0.972 . . . . 0.0 109.267 -179.709 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 78.9 mtm -60.2 -41.02 92.1 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.228 -0.92 . . . . 0.0 109.5 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.521 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -56.76 -46.7 81.28 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.186 -0.946 . . . . 0.0 109.608 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 7.7 t -69.8 -37.32 76.26 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.171 -0.956 . . . . 0.0 110.565 -179.692 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -60.36 -39.98 89.11 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.266 -0.896 . . . . 0.0 110.435 -178.774 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -111.05 0.9 17.09 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.432 -0.793 . . . . 0.0 109.765 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.521 ' N ' ' O ' ' A' ' 23' ' ' ALA . 79.5 m-20 55.01 47.16 22.72 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.593 -0.692 . . . . 0.0 109.969 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 45.1 mt -112.6 151.69 44.1 Favored Pre-proline 0 N--CA 1.503 2.201 0 O-C-N 121.226 -0.922 . . . . 0.0 108.873 179.644 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -58.78 162.14 13.7 Favored 'Trans proline' 0 C--N 1.312 -1.345 0 C-N-CA 121.431 1.421 . . . . 0.0 111.41 179.655 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -56.7 -29.54 80.51 Favored 'Trans proline' 0 C--N 1.304 -1.77 0 C-N-CA 122.412 2.075 . . . . 0.0 111.408 179.482 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.506 HG11 HD11 ' B' ' 5' ' ' ILE . 95.4 t -57.56 -49.33 80.82 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.611 0 O-C-N 121.117 -0.989 . . . . 0.0 109.659 -178.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 59.4 t -68.48 -47.72 75.92 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.914 0 C-N-CA 118.937 -1.105 . . . . 0.0 108.841 -179.617 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.54 -44.53 86.59 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.423 -0.798 . . . . 0.0 110.436 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.411 ' HD3' ' CD1' ' A' ' 19' ' ' TRP . 19.8 mmmt -62.74 -35.66 80.5 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.811 -1.181 . . . . 0.0 109.646 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.5 tm-20 -61.72 -40.05 93.68 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.283 -0.886 . . . . 0.0 110.203 -178.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 26.8 mt -60.12 -40.22 82.76 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 120.787 -1.196 . . . . 0.0 108.67 179.458 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 69.0 t -62.98 -39.6 85.8 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 121.268 -0.895 . . . . 0.0 109.241 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.21 -33.46 72.28 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.392 -0.817 . . . . 0.0 110.25 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 52.5 m -77.68 -27.54 50.82 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.289 -0.882 . . . . 0.0 110.164 -178.784 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 44.3 t -79.62 104.51 10.27 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.183 -0.948 . . . . 0.0 109.236 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -60.12 -31.37 69.99 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.327 -0.858 . . . . 0.0 110.587 -179.499 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -69.27 -43.34 74.12 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.949 -1.095 . . . . 0.0 110.653 -179.114 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 88.3 m -84.42 -32.39 24.13 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.92 -1.113 . . . . 0.0 110.269 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 . . . . . 0 N--CA 1.495 1.824 0 O-C-N 121.07 -1.019 . . . . 0.0 111.066 -178.587 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 . . . . . 0 N--CA 1.49 1.543 0 CA-C-O 121.366 0.603 . . . . 0.0 109.923 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 16.5 mt -74.03 -40.32 62.94 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.468 -0.77 . . . . 0.0 111.499 -178.107 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -65.99 -42.11 90.21 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.634 -1.291 . . . . 0.0 110.674 -178.84 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.71 -47.81 46.37 Favored Glycine 0 N--CA 1.489 2.19 0 N-CA-C 109.671 -1.372 . . . . 0.0 109.671 -179.65 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 5' ' ' ILE . . . . . 0.506 HD11 HG11 ' A' ' 31' ' ' VAL . 90.1 mt -60.01 -38.83 78.31 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.526 0 O-C-N 121.425 -1.044 . . . . 0.0 110.274 -179.651 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -55.41 -46.36 76.64 Favored 'General case' 0 C--N 1.296 -1.723 0 O-C-N 120.77 -1.206 . . . . 0.0 109.13 -179.371 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -69.06 -42.26 76.51 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.949 -1.095 . . . . 0.0 108.929 178.894 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.43 -36.94 82.24 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.402 -0.811 . . . . 0.0 109.893 179.615 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 9' ' ' GLN . . . . . 0.429 ' N ' ' O ' ' B' ' 5' ' ' ILE . 61.0 tt0 -57.58 -40.45 79.03 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.439 -0.788 . . . . 0.0 109.118 -179.3 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 69.2 tt0 -61.12 -43.7 98.48 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.27 -0.894 . . . . 0.0 108.861 179.238 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 25.7 tp10 -60.43 -40.95 92.9 Favored 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 179.634 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 12' ' ' HIS . . . . . 0.565 ' O ' ' N ' ' B' ' 16' ' ' HIS . 17.4 t60 -60.98 -46.16 91.87 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.249 -0.907 . . . . 0.0 110.246 179.77 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 34.2 tp10 -61.97 -41.31 97.87 Favored 'General case' 0 C--N 1.298 -1.647 0 O-C-N 121.072 -1.017 . . . . 0.0 110.284 -179.296 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 57.1 mtpt -62.62 -31.63 72.51 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.562 -0.711 . . . . 0.0 112.615 -178.014 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -139.11 -6.38 1.41 Allowed 'General case' 0 N--CA 1.506 2.359 0 O-C-N 120.576 -1.328 . . . . 0.0 111.934 -177.567 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.565 ' N ' ' O ' ' B' ' 12' ' ' HIS . 87.7 m-70 56.52 44.2 24.53 Favored 'General case' 0 N--CA 1.497 1.919 0 N-CA-C 107.075 -1.454 . . . . 0.0 107.075 -177.051 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 91.0 p -65.26 157.0 30.17 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.595 -0.691 . . . . 0.0 110.676 -178.451 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -73.75 159.04 33.53 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.473 -0.767 . . . . 0.0 109.044 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 42.3 p-90 -56.53 -29.43 61.89 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.066 -1.021 . . . . 0.0 110.257 -179.423 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -63.86 -39.91 95.32 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.946 -1.096 . . . . 0.0 110.225 -179.583 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.64 -49.49 58.76 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.304 -0.872 . . . . 0.0 109.163 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 78.6 mtm -60.35 -40.12 89.58 Favored 'General case' 0 C--N 1.301 -1.505 0 C-N-CA 119.371 -0.932 . . . . 0.0 109.5 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.504 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -58.14 -45.65 87.01 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.246 -0.909 . . . . 0.0 109.454 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 7.6 t -70.56 -37.04 73.96 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.445 -0.784 . . . . 0.0 110.536 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -61.23 -40.25 93.3 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.052 -1.03 . . . . 0.0 110.132 -178.674 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -110.16 1.6 18.87 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.587 -0.696 . . . . 0.0 109.527 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 27' ' ' ASN . . . . . 0.504 ' N ' ' O ' ' B' ' 23' ' ' ALA . 78.7 m-20 54.16 48.34 21.15 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.376 -0.827 . . . . 0.0 109.86 179.645 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 47.2 mt -113.57 152.75 45.66 Favored Pre-proline 0 N--CA 1.503 2.195 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -59.72 162.25 16.08 Favored 'Trans proline' 0 C--N 1.312 -1.379 0 C-N-CA 121.349 1.366 . . . . 0.0 111.115 179.567 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_endo -56.88 -29.93 83.62 Favored 'Trans proline' 0 C--N 1.302 -1.915 0 C-N-CA 122.461 2.107 . . . . 0.0 111.628 179.393 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.498 HG11 HD11 ' A' ' 5' ' ' ILE . 96.1 t -57.13 -47.88 83.04 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.572 0 O-C-N 121.228 -0.92 . . . . 0.0 109.861 -179.419 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 57.3 t -70.01 -48.38 63.18 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.801 0 C-N-CA 118.591 -1.244 . . . . 0.0 108.959 -179.645 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.09 -43.53 91.82 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.393 -0.817 . . . . 0.0 110.653 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 19.9 mmmt -62.97 -36.13 82.47 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.739 -1.226 . . . . 0.0 109.719 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.4 tm-20 -61.21 -40.06 92.54 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.385 -0.822 . . . . 0.0 110.101 -179.064 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 23.3 mt -60.38 -40.01 82.72 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 120.774 -1.204 . . . . 0.0 108.576 179.445 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 63.1 t -63.4 -38.83 83.22 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 121.272 -0.892 . . . . 0.0 109.242 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.1 -34.7 75.36 Favored 'General case' 0 C--N 1.298 -1.653 0 O-C-N 121.445 -0.784 . . . . 0.0 110.223 -179.744 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 56.7 m -76.11 -27.6 57.17 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.304 -0.873 . . . . 0.0 110.18 -179.117 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 44.0 t -80.37 104.56 11.0 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.118 -0.989 . . . . 0.0 109.56 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 80.9 m-20 -60.11 -31.77 70.37 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.454 -0.779 . . . . 0.0 110.829 -179.657 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -68.74 -42.53 77.45 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.756 -1.215 . . . . 0.0 110.138 -179.148 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 84.6 m -85.44 -31.89 22.6 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.94 -1.1 . . . . 0.0 110.549 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 . . . . . 0 N--CA 1.497 1.903 0 O-C-N 121.047 -1.033 . . . . 0.0 110.754 -178.908 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 1' ' ' PHE . . . . . 0.442 ' O ' HD12 ' A' ' 5' ' ' ILE . 64.0 m-85 . . . . . 0 N--CA 1.492 1.63 0 CA-C-O 121.04 0.448 . . . . 0.0 110.289 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 40.4 mt -74.55 -19.59 60.28 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.078 -1.014 . . . . 0.0 111.532 -178.161 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.509 ' OD1' ' N ' ' A' ' 4' ' ' GLY . 31.5 p-10 -67.94 -61.35 1.91 Allowed 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.83 -1.169 . . . . 0.0 111.367 -178.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.509 ' N ' ' OD1' ' A' ' 3' ' ' ASP . . . -63.36 -41.57 99.4 Favored Glycine 0 N--CA 1.493 2.475 0 C-N-CA 119.881 -1.152 . . . . 0.0 110.275 -179.116 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.461 ' O ' ' N ' ' A' ' 9' ' ' GLN . 97.0 mt -59.04 -40.53 80.96 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.547 0 O-C-N 121.134 -1.215 . . . . 0.0 110.702 -179.399 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 60.9 t0 -55.6 -47.81 75.88 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.831 -1.168 . . . . 0.0 109.055 -179.455 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 7.3 tmtt? -68.98 -47.75 64.8 Favored 'General case' 0 C--N 1.298 -1.661 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 179.295 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.93 -33.37 74.15 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.259 -0.901 . . . . 0.0 110.184 179.764 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.461 ' N ' ' O ' ' A' ' 5' ' ' ILE . 58.6 tt0 -59.14 -39.82 83.59 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.12 -0.988 . . . . 0.0 109.028 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -60.02 -42.27 93.96 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.435 -0.791 . . . . 0.0 109.052 179.151 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.7 tm-20 -60.02 -40.21 88.49 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.232 -0.918 . . . . 0.0 109.277 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.52 ' O ' ' N ' ' A' ' 16' ' ' HIS . 13.9 t60 -63.04 -43.85 97.51 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.104 -0.997 . . . . 0.0 109.896 179.492 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 -61.44 -43.26 99.18 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.247 -0.908 . . . . 0.0 110.145 -179.475 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 52.3 mtpt -62.02 -35.82 79.7 Favored 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 112.689 0.626 . . . . 0.0 112.689 -178.174 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -135.4 -4.56 2.33 Favored 'General case' 0 N--CA 1.506 2.349 0 O-C-N 120.765 -1.21 . . . . 0.0 112.87 -176.667 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.52 ' N ' ' O ' ' A' ' 12' ' ' HIS . 89.3 m-70 55.65 40.73 30.97 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 120.622 -1.299 . . . . 0.0 107.523 -177.905 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 78.8 p -60.52 156.82 15.46 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.535 -0.728 . . . . 0.0 110.766 -178.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 -73.64 156.45 37.99 Favored 'General case' 0 N--CA 1.49 1.572 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 179.251 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 44.8 p-90 -57.89 -30.19 65.66 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.104 -0.998 . . . . 0.0 110.211 -179.58 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -62.41 -40.2 95.77 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.845 -1.159 . . . . 0.0 109.524 179.71 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.29 -49.48 55.57 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.52 -0.738 . . . . 0.0 109.448 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 77.4 mtm -60.19 -40.37 89.81 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.025 -1.047 . . . . 0.0 109.43 178.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.421 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -57.29 -49.2 76.82 Favored 'General case' 0 C--N 1.303 -1.435 0 C-N-CA 119.171 -1.012 . . . . 0.0 108.764 -179.562 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 42.1 m -70.42 -34.05 72.06 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.665 -0.647 . . . . 0.0 110.389 179.771 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 84.4 m-20 -60.02 -42.03 93.44 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.963 -1.086 . . . . 0.0 109.941 -178.781 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -110.78 1.8 18.0 Favored 'General case' 0 N--CA 1.504 2.235 0 O-C-N 121.283 -0.886 . . . . 0.0 110.77 -179.633 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.421 ' N ' ' O ' ' A' ' 23' ' ' ALA . 56.2 m-20 58.89 48.61 10.86 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.282 -0.886 . . . . 0.0 109.758 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 80.8 mt -114.07 150.56 43.78 Favored Pre-proline 0 N--CA 1.503 2.205 0 O-C-N 121.475 -0.765 . . . . 0.0 108.974 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -60.35 160.69 22.54 Favored 'Trans proline' 0 N--CA 1.488 1.198 0 C-N-CA 121.753 1.635 . . . . 0.0 111.599 179.776 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -55.23 -36.2 92.86 Favored 'Trans proline' 0 C--N 1.308 -1.578 0 C-N-CA 122.858 2.372 . . . . 0.0 112.31 -179.05 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 98.4 t -56.71 -46.73 83.14 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.649 0 O-C-N 121.133 -0.979 . . . . 0.0 109.41 -179.127 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 60.8 t -68.14 -50.08 61.6 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.788 0 C-N-CA 118.169 -1.413 . . . . 0.0 109.629 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.07 -47.93 80.82 Favored 'General case' 0 C--N 1.298 -1.647 0 O-C-N 121.337 -0.852 . . . . 0.0 110.11 -179.694 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -62.11 -35.9 80.11 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.706 -1.246 . . . . 0.0 110.399 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.3 tm-20 -60.43 -39.55 87.87 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.115 -0.991 . . . . 0.0 109.696 -179.042 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 73.9 mt -60.48 -40.36 84.05 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.391 0 O-C-N 120.718 -1.239 . . . . 0.0 109.165 179.698 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 90.8 t -63.43 -39.06 83.88 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.398 0 N-CA-C 108.601 -0.889 . . . . 0.0 108.601 178.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.83 -31.81 71.21 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.569 -0.707 . . . . 0.0 109.441 179.65 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 26.7 m -78.39 -24.72 46.15 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.204 -0.935 . . . . 0.0 109.406 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 43.4 t -82.64 102.2 11.31 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.285 -0.885 . . . . 0.0 109.124 179.463 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 81.7 m-20 -59.67 -30.41 68.74 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.513 -0.742 . . . . 0.0 110.514 -179.554 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 59.6 mttp -69.95 -41.28 74.75 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.94 -1.1 . . . . 0.0 110.886 -178.715 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 92.8 m -87.03 -19.21 28.98 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 120.912 -1.118 . . . . 0.0 110.192 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 . . . . . 0 N--CA 1.494 1.769 0 O-C-N 121.182 -0.949 . . . . 0.0 110.929 -178.166 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 1' ' ' PHE . . . . . 0.466 ' O ' HD12 ' B' ' 5' ' ' ILE . 62.4 m-85 . . . . . 0 N--CA 1.495 1.798 0 CA-C-O 121.284 0.564 . . . . 0.0 109.871 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 40.1 mt -74.72 -19.64 60.16 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.148 -0.97 . . . . 0.0 111.025 -178.597 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 3' ' ' ASP . . . . . 0.491 ' OD1' ' N ' ' B' ' 3' ' ' ASP . 27.7 p-10 -67.76 -62.17 1.54 Allowed 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.625 -1.297 . . . . 0.0 111.448 -178.869 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 4' ' ' GLY . . . . . 0.468 ' H ' ' CG ' ' B' ' 3' ' ' ASP . . . -62.82 -41.27 99.89 Favored Glycine 0 N--CA 1.494 2.545 0 N-CA-C 110.098 -1.201 . . . . 0.0 110.098 -179.092 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 5' ' ' ILE . . . . . 0.466 HD12 ' O ' ' B' ' 1' ' ' PHE . 97.2 mt -59.43 -39.8 80.08 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.604 0 O-C-N 121.402 -1.058 . . . . 0.0 111.101 -179.309 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 61.1 t0 -56.93 -47.37 80.76 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.531 -1.356 . . . . 0.0 108.748 -179.701 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 6.9 tmtt? -68.73 -48.34 64.04 Favored 'General case' 0 C--N 1.3 -1.562 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 179.033 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.01 -34.56 75.02 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.284 -0.885 . . . . 0.0 110.019 179.707 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 9' ' ' GLN . . . . . 0.461 ' N ' ' O ' ' B' ' 5' ' ' ILE . 55.0 tt0 -57.93 -40.45 80.48 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.035 -1.041 . . . . 0.0 109.176 -179.643 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -60.21 -41.13 92.37 Favored 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 119.357 -0.937 . . . . 0.0 109.205 179.548 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 14.3 tm-20 -60.03 -40.99 91.23 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.163 -0.961 . . . . 0.0 109.024 179.562 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 12' ' ' HIS . . . . . 0.555 ' O ' ' N ' ' B' ' 16' ' ' HIS . 14.6 t60 -62.3 -43.46 98.77 Favored 'General case' 0 C--N 1.304 -1.398 0 C-N-CA 119.344 -0.942 . . . . 0.0 110.024 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -61.65 -43.34 99.05 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.187 -0.946 . . . . 0.0 110.411 -179.627 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 54.0 mtpt -62.31 -34.97 77.64 Favored 'General case' 0 C--N 1.296 -1.722 0 O-C-N 121.554 -0.716 . . . . 0.0 112.749 -178.12 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 -136.21 -3.29 2.21 Favored 'General case' 0 N--CA 1.505 2.323 0 O-C-N 120.975 -1.078 . . . . 0.0 112.684 -176.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.555 ' N ' ' O ' ' B' ' 12' ' ' HIS . 88.4 m-70 54.12 41.38 32.04 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.56 -1.338 . . . . 0.0 107.396 -177.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 84.1 p -60.65 158.2 13.04 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.499 -0.751 . . . . 0.0 110.585 -178.777 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -74.59 156.72 36.48 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 179.255 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 42.2 p-90 -58.18 -29.89 65.98 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.943 -1.098 . . . . 0.0 110.289 -179.619 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -62.88 -39.72 95.3 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.778 -1.201 . . . . 0.0 109.648 179.64 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.28 -48.92 60.32 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.494 -0.753 . . . . 0.0 109.468 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 78.1 mtm -60.45 -40.18 90.23 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.055 -1.028 . . . . 0.0 109.063 179.184 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.423 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -57.49 -49.62 75.71 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 119.432 -0.907 . . . . 0.0 108.991 -179.849 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 47.1 m -70.81 -32.61 69.73 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.46 -0.775 . . . . 0.0 110.399 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -61.22 -41.6 97.14 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.975 -1.078 . . . . 0.0 110.411 -178.829 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -111.5 1.99 17.2 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.533 -0.729 . . . . 0.0 110.579 -179.536 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 27' ' ' ASN . . . . . 0.423 ' N ' ' O ' ' B' ' 23' ' ' ALA . 61.0 m-20 58.48 49.85 10.09 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.389 -0.82 . . . . 0.0 109.717 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 80.0 mt -114.47 150.89 44.59 Favored Pre-proline 0 N--CA 1.501 2.08 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 179.626 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_endo -61.29 160.49 26.77 Favored 'Trans proline' 0 N--CA 1.491 1.364 0 C-N-CA 121.713 1.609 . . . . 0.0 111.589 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_endo -55.06 -35.66 90.92 Favored 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.845 2.363 . . . . 0.0 112.536 -179.055 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 88.2 t -56.92 -47.45 83.17 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.749 0 O-C-N 120.936 -1.102 . . . . 0.0 109.377 -179.372 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 59.5 t -67.46 -50.89 57.67 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.867 0 C-N-CA 118.108 -1.437 . . . . 0.0 109.715 -179.661 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.45 -46.78 86.96 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.179 -0.95 . . . . 0.0 110.544 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -62.68 -36.71 83.8 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.783 -1.198 . . . . 0.0 110.344 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 13.5 tm-20 -59.79 -39.47 85.07 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.035 -1.041 . . . . 0.0 109.822 -178.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 77.0 mt -60.46 -40.37 84.02 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.471 0 O-C-N 120.812 -1.18 . . . . 0.0 109.167 179.709 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 90.8 t -63.62 -39.23 84.57 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.546 0 N-CA-C 108.55 -0.908 . . . . 0.0 108.55 179.108 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.32 -31.95 70.77 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.273 -0.892 . . . . 0.0 109.286 179.576 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 31.5 m -78.06 -24.15 47.81 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.242 -0.911 . . . . 0.0 109.593 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 42.0 t -83.45 102.09 11.83 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.272 -0.893 . . . . 0.0 108.797 179.358 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -60.02 -29.24 68.37 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.452 -0.78 . . . . 0.0 110.349 -179.295 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 60.7 mttp -70.92 -40.66 71.98 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.911 -1.118 . . . . 0.0 110.807 -178.759 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 93.6 m -87.36 -19.13 28.59 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 120.839 -1.163 . . . . 0.0 109.906 179.776 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 . . . . . 0 N--CA 1.494 1.757 0 O-C-N 121.101 -0.999 . . . . 0.0 111.008 -178.256 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 1' ' ' PHE . . . . . 0.499 ' O ' HD12 ' A' ' 5' ' ' ILE . 67.8 m-85 . . . . . 0 N--CA 1.493 1.693 0 CA-C-O 121.7 0.762 . . . . 0.0 109.987 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 41.6 mt -69.97 -35.83 74.74 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.411 -0.805 . . . . 0.0 111.049 -178.27 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -67.09 -54.2 23.73 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.026 -1.046 . . . . 0.0 110.805 -178.48 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.45 -46.18 94.35 Favored Glycine 0 N--CA 1.49 2.258 0 N-CA-C 109.783 -1.327 . . . . 0.0 109.783 -179.603 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.499 HD12 ' O ' ' A' ' 1' ' ' PHE . 85.7 mt -59.8 -39.86 81.02 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.443 0 O-C-N 121.622 -0.928 . . . . 0.0 110.005 -179.75 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -53.51 -44.8 69.38 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 120.971 -1.081 . . . . 0.0 109.351 -179.245 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -69.46 -42.16 75.27 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.126 -0.984 . . . . 0.0 109.424 179.275 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.46 -37.34 82.78 Favored 'General case' 0 C--N 1.3 -1.567 0 C-N-CA 120.066 -0.654 . . . . 0.0 109.294 179.671 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -56.32 -41.36 75.9 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.527 -0.733 . . . . 0.0 109.1 -179.239 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 27.4 tp10 -61.98 -40.27 95.05 Favored 'General case' 0 C--N 1.305 -1.33 0 C-N-CA 118.931 -1.107 . . . . 0.0 108.605 179.025 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 22.3 tp10 -61.34 -40.42 94.18 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.358 -0.839 . . . . 0.0 109.467 179.489 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.503 ' O ' ' N ' ' A' ' 16' ' ' HIS . 16.3 t60 -62.41 -45.5 92.84 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.243 -0.91 . . . . 0.0 109.666 179.798 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -60.22 -40.5 90.37 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.35 -0.844 . . . . 0.0 110.454 -179.251 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt -63.58 -39.85 95.45 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.522 -0.736 . . . . 0.0 112.884 -178.383 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -132.34 -0.16 3.66 Favored 'General case' 0 N--CA 1.507 2.419 0 O-C-N 121.031 -1.043 . . . . 0.0 112.562 -176.762 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.503 ' N ' ' O ' ' A' ' 12' ' ' HIS . 86.5 m-70 52.65 42.32 31.55 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.37 -1.456 . . . . 0.0 107.417 -177.832 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 79.5 p -62.99 153.86 32.46 Favored 'General case' 0 C--N 1.3 -1.564 0 C-N-CA 120.131 -0.628 . . . . 0.0 110.164 -178.766 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -74.15 161.17 30.26 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.428 -0.795 . . . . 0.0 109.127 179.593 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 39.4 p-90 -58.04 -30.26 66.02 Favored 'General case' 0 N--CA 1.49 1.545 0 C-N-CA 119.829 -0.748 . . . . 0.0 110.514 -179.285 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 84.4 mtm180 -63.89 -40.48 96.62 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.975 -1.078 . . . . 0.0 109.857 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.33 -48.23 62.05 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.439 -0.788 . . . . 0.0 109.521 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 74.5 mtm -61.55 -40.66 95.48 Favored 'General case' 0 C--N 1.297 -1.678 0 O-C-N 121.543 -0.723 . . . . 0.0 109.567 179.755 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.474 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -57.97 -48.03 81.21 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.151 -0.968 . . . . 0.0 109.082 179.795 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 8.6 t -69.72 -36.48 75.92 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.042 -1.036 . . . . 0.0 110.216 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 81.7 m-20 -60.04 -40.38 89.18 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.309 -0.869 . . . . 0.0 110.536 -179.176 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -111.51 3.17 17.85 Favored 'General case' 0 N--CA 1.503 2.206 0 O-C-N 121.315 -0.866 . . . . 0.0 110.077 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.474 ' N ' ' O ' ' A' ' 23' ' ' ALA . 48.9 m-20 55.74 48.08 19.09 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.517 -0.739 . . . . 0.0 109.923 179.453 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 80.4 mt -113.67 151.82 44.93 Favored Pre-proline 0 N--CA 1.5 2.041 0 O-C-N 121.185 -0.947 . . . . 0.0 108.966 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 28.2 Cg_endo -61.97 148.96 92.08 Favored 'Trans proline' 0 N--CA 1.491 1.356 0 C-N-CA 121.501 1.467 . . . . 0.0 111.638 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_exo -41.79 -38.28 4.5 Favored 'Trans proline' 0 C--N 1.312 -1.358 0 C-N-CA 122.16 1.907 . . . . 0.0 111.925 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 77.1 t -52.79 -51.54 35.41 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.705 0 O-C-N 121.366 -0.834 . . . . 0.0 110.367 -178.648 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.423 HG13 HD11 ' A' ' 5' ' ' ILE . 77.0 t -66.02 -47.34 85.44 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.013 0 C-N-CA 118.091 -1.444 . . . . 0.0 109.557 -179.029 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.49 -45.36 83.93 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.244 -0.91 . . . . 0.0 110.31 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 40.2 mtmt -63.3 -36.07 82.46 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 120.778 -1.201 . . . . 0.0 110.758 -179.741 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.2 tm-20 -60.51 -37.86 82.5 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 119.053 -1.059 . . . . 0.0 109.372 -179.112 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 62.8 mt -60.04 -39.91 81.69 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 120.859 -1.151 . . . . 0.0 108.632 179.267 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 92.3 t -63.39 -38.28 81.75 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 179.013 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.54 -32.18 70.09 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.698 -0.627 . . . . 0.0 109.364 179.734 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 59.3 m -79.53 -26.85 41.38 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.133 -0.98 . . . . 0.0 109.279 179.606 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 41.5 t -82.28 102.36 11.13 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.087 -1.008 . . . . 0.0 109.354 179.682 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -60.0 -31.45 69.94 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.518 -0.739 . . . . 0.0 110.427 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -69.23 -43.02 74.89 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.918 -1.114 . . . . 0.0 110.645 -178.793 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 98.9 m -84.96 -19.12 32.61 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.703 -1.248 . . . . 0.0 109.828 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 . . . . . 0 C--N 1.302 -1.481 0 O-C-N 121.122 -0.986 . . . . 0.0 109.743 -179.414 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 1' ' ' PHE . . . . . 0.467 ' O ' HD12 ' B' ' 5' ' ' ILE . 64.7 m-85 . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 121.694 0.759 . . . . 0.0 110.037 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 38.7 mt -70.85 -36.01 72.68 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.446 -0.784 . . . . 0.0 111.362 -177.849 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 51.0 t0 -66.93 -52.42 43.23 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.978 -1.076 . . . . 0.0 111.083 -178.583 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.6 -44.87 94.41 Favored Glycine 0 N--CA 1.49 2.246 0 N-CA-C 109.831 -1.308 . . . . 0.0 109.831 -179.418 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 5' ' ' ILE . . . . . 0.467 HD12 ' O ' ' B' ' 1' ' ' PHE . 86.9 mt -60.14 -39.53 80.81 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.491 -1.005 . . . . 0.0 109.97 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 61.6 t0 -53.64 -45.12 70.08 Favored 'General case' 0 C--N 1.3 -1.579 0 C-N-CA 119.555 -0.858 . . . . 0.0 109.144 -179.058 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 62.1 mttp -69.48 -42.11 75.26 Favored 'General case' 0 C--N 1.301 -1.531 0 C-N-CA 119.306 -0.958 . . . . 0.0 109.223 179.333 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.61 -36.47 80.91 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.589 -0.694 . . . . 0.0 109.219 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 9' ' ' GLN . . . . . 0.406 ' N ' ' O ' ' B' ' 5' ' ' ILE . 58.3 tt0 -57.31 -41.51 80.04 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.468 -0.77 . . . . 0.0 109.169 -179.451 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 28.9 tp10 -61.87 -40.4 95.25 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.009 -1.057 . . . . 0.0 108.464 178.744 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 21.8 tp10 -61.79 -40.3 94.72 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.478 -0.764 . . . . 0.0 109.613 179.39 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 12' ' ' HIS . . . . . 0.542 ' O ' ' N ' ' B' ' 16' ' ' HIS . 15.8 t60 -62.22 -45.3 93.98 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.117 -0.989 . . . . 0.0 109.575 179.639 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -60.28 -42.13 94.79 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.482 -0.761 . . . . 0.0 110.291 -178.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -62.11 -37.55 85.53 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.488 -0.758 . . . . 0.0 112.945 -178.579 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -134.32 -1.32 2.89 Favored 'General case' 0 N--CA 1.505 2.275 0 O-C-N 121.032 -1.043 . . . . 0.0 113.004 -176.692 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.542 ' N ' ' O ' ' B' ' 12' ' ' HIS . 88.0 m-70 53.43 41.18 32.14 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.443 -1.41 . . . . 0.0 107.524 -177.471 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 79.8 p -62.32 154.37 28.08 Favored 'General case' 0 C--N 1.304 -1.403 0 C-N-CA 119.974 -0.69 . . . . 0.0 110.145 -178.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -74.75 162.94 28.23 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.113 -0.992 . . . . 0.0 109.363 179.787 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 34.4 p-90 -59.29 -29.99 68.0 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.37 -0.831 . . . . 0.0 110.398 -179.479 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 85.1 mtm180 -64.33 -41.23 96.9 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 120.678 -1.264 . . . . 0.0 110.034 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.79 -48.97 62.31 Favored 'General case' 0 C--N 1.303 -1.433 0 C-N-CA 119.854 -0.738 . . . . 0.0 109.109 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 74.4 mtm -60.92 -42.12 97.5 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.347 -0.845 . . . . 0.0 109.502 179.666 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.465 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -56.72 -47.91 78.91 Favored 'General case' 0 C--N 1.299 -1.595 0 C-N-CA 119.376 -0.93 . . . . 0.0 109.062 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 8.4 t -69.69 -37.46 76.62 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.072 -1.018 . . . . 0.0 110.032 -179.792 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -59.01 -40.25 84.36 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.162 -0.961 . . . . 0.0 110.286 -178.753 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -111.08 2.34 17.86 Favored 'General case' 0 N--CA 1.504 2.273 0 O-C-N 121.326 -0.859 . . . . 0.0 110.352 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 27' ' ' ASN . . . . . 0.465 ' N ' ' O ' ' B' ' 23' ' ' ALA . 51.4 m-20 56.07 48.91 16.68 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.405 -0.809 . . . . 0.0 109.917 179.743 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 79.7 mt -115.13 152.27 46.52 Favored Pre-proline 0 N--CA 1.501 2.082 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_endo -61.54 150.48 85.16 Favored 'Trans proline' 0 N--CA 1.494 1.512 0 C-N-CA 121.651 1.568 . . . . 0.0 111.717 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -42.8 -39.3 7.35 Favored 'Trans proline' 0 N--CA 1.488 1.167 0 C-N-CA 121.992 1.795 . . . . 0.0 111.867 179.422 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 70.4 t -51.93 -51.26 30.0 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 121.197 -0.94 . . . . 0.0 110.666 -178.56 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 63.7 t -66.74 -45.91 86.93 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.953 0 C-N-CA 118.314 -1.355 . . . . 0.0 109.455 -179.207 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.07 -46.18 78.64 Favored 'General case' 0 C--N 1.299 -1.587 0 C-N-CA 119.774 -0.771 . . . . 0.0 110.119 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 41.0 mtmt -63.24 -36.1 82.54 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 120.57 -1.331 . . . . 0.0 110.89 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -60.35 -38.44 83.8 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 120.763 -1.21 . . . . 0.0 109.592 -178.835 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 68.3 mt -59.71 -40.19 81.72 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.344 0 C-N-CA 118.908 -1.117 . . . . 0.0 108.209 179.375 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 95.9 t -63.02 -38.03 80.92 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.852 0 O-C-N 121.342 -0.849 . . . . 0.0 108.847 179.039 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 38' ' ' ALA . . . . . 0.545 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -59.62 -31.98 70.0 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 179.685 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 49.5 m -79.47 -27.99 41.57 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.232 -0.918 . . . . 0.0 109.287 179.738 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 40.8 t -82.08 101.19 10.22 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.318 -0.864 . . . . 0.0 109.1 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -59.57 -31.56 69.55 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.29 -0.881 . . . . 0.0 110.466 -179.425 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -68.56 -41.13 80.2 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.714 -1.241 . . . . 0.0 110.874 -178.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 97.2 m -86.75 -19.56 28.93 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.938 -1.101 . . . . 0.0 109.535 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 44' ' ' GLN . . . . . 0.545 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 7.2 tt0 . . . . . 0 N--CA 1.489 1.492 0 O-C-N 121.22 -0.925 . . . . 0.0 109.582 -179.509 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 1' ' ' PHE . . . . . 0.501 ' O ' HD12 ' A' ' 5' ' ' ILE . 91.2 m-85 . . . . . 0 N--CA 1.493 1.678 0 CA-C-O 121.462 0.649 . . . . 0.0 109.726 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 16.7 mt -71.8 -33.62 68.71 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.446 -0.783 . . . . 0.0 111.658 -178.037 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.507 ' OD1' ' N ' ' A' ' 3' ' ' ASP . 18.8 p-10 -68.94 -57.72 5.11 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 120.935 -1.103 . . . . 0.0 111.873 -178.183 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.418 ' H ' ' CG ' ' A' ' 3' ' ' ASP . . . -63.28 -44.4 97.04 Favored Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.68 -1.368 . . . . 0.0 109.68 -178.776 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.501 HD12 ' O ' ' A' ' 1' ' ' PHE . 82.8 mt -58.93 -40.13 79.58 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.586 0 O-C-N 121.154 -1.203 . . . . 0.0 109.957 -179.514 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -55.39 -44.02 75.73 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 120.609 -1.307 . . . . 0.0 108.975 -179.423 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -70.26 -47.46 61.21 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.308 -0.87 . . . . 0.0 109.14 178.687 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.27 -34.34 77.88 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.292 -0.88 . . . . 0.0 109.659 179.638 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -56.93 -40.49 76.47 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.326 -0.859 . . . . 0.0 109.424 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -61.72 -41.25 97.37 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.174 -0.954 . . . . 0.0 108.947 179.433 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.4 tm-20 -60.45 -41.84 94.93 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.517 -0.739 . . . . 0.0 109.764 179.684 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.533 ' O ' ' N ' ' A' ' 16' ' ' HIS . 17.4 t60 -60.25 -40.82 91.65 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.19 -0.944 . . . . 0.0 109.449 -179.722 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -61.74 -45.68 92.91 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.664 -0.647 . . . . 0.0 110.637 -179.023 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 33.8 mtmm -62.39 -39.81 94.43 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.185 -0.947 . . . . 0.0 112.458 -178.328 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 49.3 m-85 -126.58 -4.6 6.53 Favored 'General case' 0 N--CA 1.506 2.37 0 O-C-N 120.952 -1.093 . . . . 0.0 113.073 -176.345 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.533 ' N ' ' O ' ' A' ' 12' ' ' HIS . 92.8 m-70 51.78 40.39 27.57 Favored 'General case' 0 N--CA 1.497 1.879 0 N-CA-C 106.777 -1.564 . . . . 0.0 106.777 -176.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 95.4 p -61.36 155.92 20.28 Favored 'General case' 0 C--N 1.303 -1.451 0 CA-C-O 121.438 0.637 . . . . 0.0 110.594 -177.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -73.75 160.79 31.0 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.587 -0.696 . . . . 0.0 109.209 179.691 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 38.6 p-90 -57.98 -30.29 65.92 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.053 -1.029 . . . . 0.0 110.416 -179.435 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 58.0 mtp180 -63.47 -39.9 95.67 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.044 -1.035 . . . . 0.0 109.674 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.15 -49.08 60.04 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.256 -0.902 . . . . 0.0 108.612 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 77.2 mtm -60.08 -40.74 90.61 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.448 -0.782 . . . . 0.0 109.859 179.416 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.504 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -59.63 -48.8 80.25 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.248 -0.908 . . . . 0.0 108.896 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 40.7 t -68.51 -36.47 78.94 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.405 -0.809 . . . . 0.0 110.342 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -60.49 -39.98 89.67 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.211 -0.931 . . . . 0.0 110.546 -178.783 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -111.85 0.16 16.06 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.48 -0.763 . . . . 0.0 109.619 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.504 ' N ' ' O ' ' A' ' 23' ' ' ALA . 38.0 t-20 58.49 50.44 9.26 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.39 -0.819 . . . . 0.0 109.848 179.151 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 76.0 mt -119.56 152.38 53.04 Favored Pre-proline 0 N--CA 1.5 2.061 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -59.99 163.1 14.67 Favored 'Trans proline' 0 C--N 1.314 -1.27 0 C-N-CA 121.465 1.443 . . . . 0.0 111.347 179.618 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -57.14 -33.38 95.76 Favored 'Trans proline' 0 C--N 1.306 -1.678 0 C-N-CA 122.761 2.307 . . . . 0.0 111.354 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.538 HG11 HD11 ' B' ' 5' ' ' ILE . 60.5 t -53.39 -50.53 47.8 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.72 0 O-C-N 120.816 -1.177 . . . . 0.0 109.472 -179.1 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 61.0 t -67.94 -49.57 67.38 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.73 0 C-N-CA 119.009 -1.077 . . . . 0.0 109.208 -179.466 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.11 -44.72 91.4 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.239 -0.913 . . . . 0.0 110.461 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.489 ' NZ ' ' OE2' ' B' ' 35' ' ' GLU . 8.0 mtmp? -63.16 -35.76 81.35 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.565 -1.335 . . . . 0.0 110.319 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.9 tm-20 -60.03 -39.89 87.44 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 120.996 -1.065 . . . . 0.0 110.342 -179.214 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 54.5 mt -60.55 -40.33 84.12 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.381 0 O-C-N 120.864 -1.148 . . . . 0.0 109.099 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 65.2 t -63.96 -38.78 83.29 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.487 0 O-C-N 121.052 -1.03 . . . . 0.0 108.603 179.345 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.73 -32.09 70.23 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.438 -0.789 . . . . 0.0 110.029 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.8 m -78.27 -21.6 49.57 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.186 -0.946 . . . . 0.0 110.049 -178.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 45.4 t -83.82 105.03 14.4 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.045 -1.034 . . . . 0.0 109.464 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -61.24 -30.78 70.65 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.355 -0.841 . . . . 0.0 110.539 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -69.14 -40.0 78.52 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.87 -1.143 . . . . 0.0 111.139 -178.607 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 66.6 m -84.39 -29.79 25.92 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.113 -0.992 . . . . 0.0 109.688 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 . . . . . 0 N--CA 1.499 2.024 0 O-C-N 121.162 -0.961 . . . . 0.0 111.143 -178.984 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 1' ' ' PHE . . . . . 0.48 ' O ' HD12 ' B' ' 5' ' ' ILE . 92.4 m-85 . . . . . 0 N--CA 1.49 1.573 0 CA-C-O 121.35 0.595 . . . . 0.0 109.636 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 14.6 mt -70.69 -34.73 72.28 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.517 -0.739 . . . . 0.0 111.557 -178.126 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 3' ' ' ASP . . . . . 0.535 ' OD1' ' N ' ' B' ' 3' ' ' ASP . 15.6 p-10 -66.3 -59.45 3.71 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.05 -1.031 . . . . 0.0 111.687 -177.825 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.84 -43.56 97.44 Favored Glycine 0 N--CA 1.492 2.367 0 C-N-CA 119.785 -1.198 . . . . 0.0 110.13 -178.511 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 5' ' ' ILE . . . . . 0.538 HD11 HG11 ' A' ' 31' ' ' VAL . 85.1 mt -59.07 -39.64 78.92 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.533 0 O-C-N 121.084 -1.244 . . . . 0.0 109.919 -179.408 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -55.34 -44.01 75.52 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.738 -1.226 . . . . 0.0 108.648 -179.721 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -70.81 -46.88 62.03 Favored 'General case' 0 C--N 1.298 -1.674 0 O-C-N 120.914 -1.116 . . . . 0.0 109.418 178.698 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.45 -34.03 77.26 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.416 -0.802 . . . . 0.0 109.469 179.544 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 9' ' ' GLN . . . . . 0.433 ' N ' ' O ' ' B' ' 5' ' ' ILE . 58.1 tt0 -57.16 -40.12 76.62 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.248 -0.907 . . . . 0.0 109.359 179.448 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -62.56 -40.98 98.56 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.107 -0.996 . . . . 0.0 108.875 179.767 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 14.5 tm-20 -60.9 -41.67 96.52 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.525 -0.734 . . . . 0.0 109.945 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 12' ' ' HIS . . . . . 0.565 ' O ' ' N ' ' B' ' 16' ' ' HIS . 18.8 t60 -60.41 -40.41 90.9 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.893 -1.13 . . . . 0.0 109.205 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -61.22 -46.7 89.34 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.618 -0.676 . . . . 0.0 110.536 -178.736 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 33.6 mtmm -61.16 -40.26 93.21 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.466 -0.772 . . . . 0.0 112.785 -178.629 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 -127.16 -4.06 6.24 Favored 'General case' 0 N--CA 1.503 2.19 0 O-C-N 121.161 -0.962 . . . . 0.0 113.264 -175.898 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.565 ' N ' ' O ' ' B' ' 12' ' ' HIS . 92.2 m-70 51.68 39.93 26.28 Favored 'General case' 0 N--CA 1.5 2.037 0 N-CA-C 106.998 -1.482 . . . . 0.0 106.998 -177.366 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 88.9 p -61.76 154.37 25.84 Favored 'General case' 0 C--N 1.3 -1.587 0 CA-C-O 121.681 0.753 . . . . 0.0 110.755 -177.708 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -72.36 159.63 33.7 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.463 -0.773 . . . . 0.0 109.233 179.678 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 34.7 p-90 -56.73 -30.39 63.48 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.327 -0.858 . . . . 0.0 111.015 -179.281 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 54.3 mtp180 -63.53 -40.46 97.08 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.72 -1.237 . . . . 0.0 109.703 179.666 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.9 -48.76 65.14 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.212 -0.93 . . . . 0.0 108.756 -179.637 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 76.9 mtm -61.04 -42.24 98.09 Favored 'General case' 0 N--CA 1.49 1.553 0 C-N-CA 119.942 -0.703 . . . . 0.0 109.622 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.509 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -58.3 -46.38 86.22 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.216 -0.927 . . . . 0.0 109.065 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 41.9 t -69.91 -37.49 75.97 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.56 -0.712 . . . . 0.0 110.578 179.562 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -60.04 -39.98 87.82 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.137 -0.977 . . . . 0.0 110.215 -178.687 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -111.43 -0.53 16.24 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.545 -0.722 . . . . 0.0 109.955 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 27' ' ' ASN . . . . . 0.509 ' N ' ' O ' ' B' ' 23' ' ' ALA . 33.7 t-20 58.64 49.78 9.86 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.049 -1.032 . . . . 0.0 110.11 179.188 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 68.9 mt -118.89 152.75 52.09 Favored Pre-proline 0 N--CA 1.497 1.9 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 179.636 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -59.81 163.02 14.36 Favored 'Trans proline' 0 N--CA 1.491 1.343 0 C-N-CA 121.481 1.454 . . . . 0.0 111.356 179.545 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -57.54 -30.79 89.66 Favored 'Trans proline' 0 C--N 1.304 -1.765 0 C-N-CA 122.722 2.281 . . . . 0.0 111.645 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.453 HG11 HD11 ' A' ' 5' ' ' ILE . 60.4 t -56.04 -49.61 74.59 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.78 0 O-C-N 120.846 -1.158 . . . . 0.0 109.024 -179.18 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 57.8 t -68.16 -49.29 68.76 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.523 0 C-N-CA 118.875 -1.13 . . . . 0.0 109.317 -179.468 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.39 -44.99 89.61 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.365 -0.835 . . . . 0.0 110.436 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 7.9 mtmp? -63.16 -34.69 78.18 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.61 -1.306 . . . . 0.0 110.327 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 35' ' ' GLU . . . . . 0.489 ' OE2' ' NZ ' ' A' ' 34' ' ' LYS . 15.6 tm-20 -60.27 -39.83 88.22 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.115 -0.991 . . . . 0.0 109.913 -179.267 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 60.5 mt -60.7 -39.9 83.1 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.456 0 O-C-N 120.773 -1.204 . . . . 0.0 109.389 179.694 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 67.7 t -64.9 -38.42 82.72 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 O-C-N 121.164 -0.96 . . . . 0.0 108.794 179.562 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.48 -32.17 71.17 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.35 -0.844 . . . . 0.0 109.907 179.761 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 15.1 m -77.94 -23.79 48.45 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.245 -0.909 . . . . 0.0 110.011 -178.769 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 46.6 t -81.86 103.89 11.84 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.207 -0.933 . . . . 0.0 109.642 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -60.46 -30.71 69.85 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.019 -1.051 . . . . 0.0 110.531 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -69.03 -39.51 79.17 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 120.823 -1.173 . . . . 0.0 110.864 -178.724 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 65.3 m -84.52 -28.72 26.5 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.915 -1.115 . . . . 0.0 109.915 -179.729 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 . . . . . 0 N--CA 1.5 2.066 0 O-C-N 121.069 -1.019 . . . . 0.0 111.491 -178.729 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 . . . . . 0 N--CA 1.487 1.4 0 CA-C-O 121.551 0.691 . . . . 0.0 109.377 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 15.5 mt -71.88 -39.86 69.34 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.57 -0.706 . . . . 0.0 110.808 -178.715 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -65.95 -43.89 86.64 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.222 -0.924 . . . . 0.0 111.307 -178.487 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.77 -46.99 42.67 Favored Glycine 0 N--CA 1.491 2.35 0 N-CA-C 109.215 -1.554 . . . . 0.0 109.215 -179.495 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.614 HD11 HG11 ' B' ' 31' ' ' VAL . 81.9 mt -59.96 -37.56 72.8 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.679 0 O-C-N 121.411 -1.052 . . . . 0.0 109.744 179.876 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 50.6 t0 -55.44 -47.13 76.48 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 120.852 -1.155 . . . . 0.0 108.709 -179.44 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -68.06 -45.07 74.88 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.236 -0.915 . . . . 0.0 109.53 179.076 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.83 -36.26 81.94 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.521 -0.737 . . . . 0.0 109.828 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -58.08 -39.84 79.55 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.244 -0.91 . . . . 0.0 109.108 -179.735 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -60.87 -43.81 97.89 Favored 'General case' 0 C--N 1.303 -1.454 0 C-N-CA 119.273 -0.971 . . . . 0.0 108.7 179.164 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.5 tm-20 -61.13 -40.65 94.59 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.309 -0.869 . . . . 0.0 108.899 179.022 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.525 ' O ' ' N ' ' A' ' 16' ' ' HIS . 14.0 t60 -60.49 -44.76 95.62 Favored 'General case' 0 C--N 1.305 -1.334 0 O-C-N 121.246 -0.909 . . . . 0.0 109.595 179.488 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -60.63 -44.89 95.84 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.212 -0.93 . . . . 0.0 110.725 -179.343 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt -60.28 -37.46 80.55 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.388 -0.82 . . . . 0.0 112.557 -178.416 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -133.68 -4.78 2.88 Favored 'General case' 0 N--CA 1.506 2.368 0 O-C-N 120.829 -1.169 . . . . 0.0 113.119 -176.376 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.525 ' N ' ' O ' ' A' ' 12' ' ' HIS . 91.6 m-70 54.72 41.12 32.16 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 120.482 -1.386 . . . . 0.0 107.458 -177.527 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 93.6 p -62.83 156.74 23.21 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.699 -0.626 . . . . 0.0 110.634 -178.441 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 70.4 m-20 -72.95 158.61 35.13 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.47 -0.769 . . . . 0.0 109.354 179.893 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 33.2 p-90 -56.85 -29.89 63.29 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.025 -1.047 . . . . 0.0 110.597 -179.614 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.416 HH11 ' HG2' ' A' ' 20' ' ' ARG . 60.2 mtt-85 -62.48 -39.88 94.87 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 120.99 -1.069 . . . . 0.0 109.637 179.336 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.77 -48.63 63.19 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.138 -0.976 . . . . 0.0 109.477 -179.742 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 77.3 mtm -61.28 -39.88 92.07 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.092 -1.005 . . . . 0.0 109.586 179.607 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.464 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -58.29 -47.6 83.13 Favored 'General case' 0 N--CA 1.488 1.475 0 C-N-CA 119.573 -0.851 . . . . 0.0 109.044 179.877 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 39.2 t -70.37 -37.06 74.51 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.174 -0.954 . . . . 0.0 110.577 179.681 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -60.3 -39.99 88.91 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.131 -0.981 . . . . 0.0 110.655 -178.633 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -111.25 -0.43 16.44 Favored 'General case' 0 N--CA 1.504 2.238 0 O-C-N 121.406 -0.809 . . . . 0.0 110.195 -179.747 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.464 ' N ' ' O ' ' A' ' 23' ' ' ALA . 6.8 m-20 57.42 50.08 11.91 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.517 -0.74 . . . . 0.0 109.511 179.741 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 79.2 mt -114.04 152.41 45.75 Favored Pre-proline 0 N--CA 1.496 1.86 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 179.483 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_endo -58.43 159.68 18.98 Favored 'Trans proline' 0 C--N 1.315 -1.211 0 C-N-CA 121.448 1.432 . . . . 0.0 110.606 179.386 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_endo -55.69 -31.03 78.21 Favored 'Trans proline' 0 C--N 1.298 -2.105 0 C-N-CA 122.46 2.107 . . . . 0.0 112.29 -179.79 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.651 HG11 HD11 ' B' ' 5' ' ' ILE . 93.6 t -58.57 -48.42 85.62 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.603 0 O-C-N 121.337 -0.852 . . . . 0.0 110.384 -178.782 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 63.3 t -66.36 -47.56 83.71 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.966 0 C-N-CA 118.65 -1.22 . . . . 0.0 109.484 -178.619 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.96 -47.99 72.78 Favored 'General case' 0 C--N 1.298 -1.659 0 C-N-CA 119.569 -0.852 . . . . 0.0 110.143 179.919 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 53.1 mtpt -61.12 -34.5 75.07 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 120.762 -1.211 . . . . 0.0 110.559 -179.704 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.6 tm-20 -62.23 -38.7 90.24 Favored 'General case' 0 C--N 1.307 -1.267 0 O-C-N 120.938 -1.101 . . . . 0.0 109.931 -179.124 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 79.2 mt -59.75 -40.39 82.35 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 O-C-N 120.948 -1.095 . . . . 0.0 108.957 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 97.6 t -61.52 -38.44 80.16 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.608 0 O-C-N 121.31 -0.869 . . . . 0.0 109.112 178.774 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.33 -31.92 70.75 Favored 'General case' 0 C--N 1.307 -1.276 0 O-C-N 121.437 -0.789 . . . . 0.0 109.172 179.634 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 22.8 m -78.64 -28.5 45.48 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.476 -0.765 . . . . 0.0 110.372 -179.218 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 46.8 t -81.82 102.46 10.84 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.356 -0.84 . . . . 0.0 109.538 -179.777 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -60.06 -30.88 69.49 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.234 -0.916 . . . . 0.0 110.315 -179.165 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 57.1 mtpt -69.94 -40.12 75.66 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.083 -1.011 . . . . 0.0 110.703 -178.501 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 66.9 m -85.48 -18.27 34.04 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.851 -1.156 . . . . 0.0 109.336 179.349 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 30.6 tt0 . . . . . 0 N--CA 1.49 1.565 0 O-C-N 121.129 -0.982 . . . . 0.0 109.085 -179.411 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 . . . . . 0 N--CA 1.495 1.815 0 CA-C-O 121.769 0.795 . . . . 0.0 109.72 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 15.1 mt -71.93 -39.82 69.19 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.5 -0.75 . . . . 0.0 110.693 -178.77 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -66.32 -43.5 86.0 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.094 -1.004 . . . . 0.0 111.71 -178.516 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.82 -46.78 43.56 Favored Glycine 0 N--CA 1.492 2.406 0 N-CA-C 109.242 -1.543 . . . . 0.0 109.242 -179.517 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 5' ' ' ILE . . . . . 0.651 HD11 HG11 ' A' ' 31' ' ' VAL . 83.7 mt -59.85 -38.02 74.38 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.636 0 O-C-N 121.461 -1.023 . . . . 0.0 109.751 179.712 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -54.83 -47.07 74.58 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 120.879 -1.138 . . . . 0.0 108.695 -179.685 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -68.58 -44.94 73.32 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.162 -0.961 . . . . 0.0 109.645 179.236 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.27 -35.75 80.15 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.507 -0.746 . . . . 0.0 109.661 -179.961 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 9' ' ' GLN . . . . . 0.422 ' N ' ' O ' ' B' ' 5' ' ' ILE . 61.8 tt0 -58.17 -40.73 82.18 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.079 -1.013 . . . . 0.0 108.584 -179.577 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -59.79 -43.89 94.19 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 119.134 -1.026 . . . . 0.0 108.866 179.24 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 12.9 tm-20 -61.14 -40.18 92.85 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.069 -1.019 . . . . 0.0 108.934 179.102 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 12' ' ' HIS . . . . . 0.535 ' O ' ' N ' ' B' ' 16' ' ' HIS . 14.6 t60 -61.04 -44.8 96.86 Favored 'General case' 0 N--CA 1.485 1.276 0 O-C-N 121.149 -0.97 . . . . 0.0 109.744 -179.905 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -60.72 -44.48 96.56 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.311 -0.868 . . . . 0.0 110.751 -179.321 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt -60.29 -38.43 83.58 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.311 -0.868 . . . . 0.0 112.668 -178.747 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 51.9 m-85 -132.33 -5.58 3.38 Favored 'General case' 0 N--CA 1.506 2.357 0 O-C-N 120.895 -1.128 . . . . 0.0 113.196 -176.185 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.535 ' N ' ' O ' ' B' ' 12' ' ' HIS . 91.5 m-70 54.94 40.47 32.02 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.508 -1.37 . . . . 0.0 107.366 -177.417 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 97.4 p -62.49 157.52 20.09 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.694 -0.629 . . . . 0.0 110.561 -178.78 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 72.2 m-20 -73.71 159.29 33.21 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.366 -0.834 . . . . 0.0 109.348 179.455 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 32.2 p-90 -57.51 -29.83 64.63 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.272 -0.893 . . . . 0.0 110.165 -179.209 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 20' ' ' ARG . . . . . 0.424 HH11 ' HG2' ' B' ' 20' ' ' ARG . 59.4 mtt-85 -62.25 -40.06 94.94 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.929 -1.107 . . . . 0.0 109.566 179.44 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.02 -48.73 62.23 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.232 -0.917 . . . . 0.0 109.428 -179.322 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 77.8 mtm -60.9 -39.97 91.35 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.354 -0.841 . . . . 0.0 109.574 179.358 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.472 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -58.32 -47.98 81.98 Favored 'General case' 0 C--N 1.303 -1.425 0 C-N-CA 119.529 -0.869 . . . . 0.0 109.401 179.895 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 38.1 t -70.55 -36.57 73.73 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.278 -0.888 . . . . 0.0 110.146 179.725 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -60.49 -39.87 89.27 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.047 -1.033 . . . . 0.0 110.744 -178.679 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -111.11 -1.42 16.23 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.491 -0.756 . . . . 0.0 110.177 -179.773 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 27' ' ' ASN . . . . . 0.472 ' N ' ' O ' ' B' ' 23' ' ' ALA . 5.8 m-20 58.32 50.01 10.2 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.233 -0.917 . . . . 0.0 109.914 -179.961 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 81.3 mt -114.51 152.29 46.02 Favored Pre-proline 0 N--CA 1.5 2.029 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 179.68 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_endo -58.56 159.21 20.81 Favored 'Trans proline' 0 C--N 1.316 -1.183 0 C-N-CA 121.166 1.244 . . . . 0.0 110.627 179.215 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_endo -55.01 -31.76 75.97 Favored 'Trans proline' 0 C--N 1.3 -1.989 0 C-N-CA 122.27 1.98 . . . . 0.0 112.554 -179.654 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.614 HG11 HD11 ' A' ' 5' ' ' ILE . 83.7 t -57.96 -48.38 84.23 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.573 0 O-C-N 121.266 -0.896 . . . . 0.0 110.341 -178.724 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 63.9 t -66.57 -47.21 84.19 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.925 0 C-N-CA 118.219 -1.393 . . . . 0.0 109.656 -178.799 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.85 -48.13 72.64 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 121.246 -0.909 . . . . 0.0 109.957 179.925 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 51.4 mtpt -60.96 -34.93 75.51 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 120.932 -1.105 . . . . 0.0 110.615 -179.496 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 14.6 tm-20 -61.75 -39.08 90.33 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.232 -0.918 . . . . 0.0 110.0 -179.029 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 83.6 mt -59.95 -39.59 80.58 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 121.086 -1.009 . . . . 0.0 109.191 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 94.9 t -61.97 -38.76 81.5 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.604 0 O-C-N 121.166 -0.959 . . . . 0.0 108.668 178.947 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.89 -31.44 69.8 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.347 -0.845 . . . . 0.0 109.286 179.608 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 19.0 m -79.94 -27.2 39.85 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.378 -0.827 . . . . 0.0 110.181 -179.171 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 47.3 t -82.69 102.81 11.75 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.089 -1.007 . . . . 0.0 109.21 179.918 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -60.35 -30.06 69.3 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.275 -0.891 . . . . 0.0 110.408 -179.438 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 57.0 mtpt -70.3 -40.74 74.05 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.341 -0.849 . . . . 0.0 110.673 -178.896 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 68.2 m -85.44 -17.95 35.06 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.83 -1.169 . . . . 0.0 109.163 179.567 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 30.9 tt0 . . . . . 0 C--N 1.302 -1.481 0 O-C-N 121.009 -1.057 . . . . 0.0 109.303 -179.497 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 1' ' ' PHE . . . . . 0.53 ' O ' HD12 ' A' ' 5' ' ' ILE . 66.8 m-85 . . . . . 0 N--CA 1.492 1.672 0 CA-C-O 121.518 0.675 . . . . 0.0 109.448 . . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 18.7 mt -72.51 -23.03 60.95 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.548 -0.72 . . . . 0.0 111.048 -178.716 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 55.3 t0 -68.07 -64.3 0.89 Allowed 'General case' 0 N--CA 1.497 1.916 0 O-C-N 120.834 -1.166 . . . . 0.0 111.358 -178.427 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.44 -40.87 99.63 Favored Glycine 0 N--CA 1.493 2.449 0 N-CA-C 109.853 -1.299 . . . . 0.0 109.853 -178.965 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.6 HD11 HG13 ' A' ' 32' ' ' VAL . 96.4 mt -59.59 -40.25 81.6 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.124 -1.221 . . . . 0.0 110.342 -179.748 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 58.2 t0 -55.37 -48.49 74.21 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 120.841 -1.162 . . . . 0.0 108.537 -179.972 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 30.5 ttmt -67.97 -43.31 79.29 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.172 -0.955 . . . . 0.0 109.192 178.907 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.58 -35.85 81.88 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.217 -0.927 . . . . 0.0 109.094 179.631 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 5' ' ' ILE . 8.9 tm0? -56.81 -40.9 76.83 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.273 -0.892 . . . . 0.0 109.221 -179.642 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 44.6 tp10 -60.36 -41.84 94.53 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.062 -1.024 . . . . 0.0 108.884 179.177 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.3 tm-20 -59.92 -41.54 91.94 Favored 'General case' 0 N--CA 1.491 1.585 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 179.241 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.565 ' O ' ' N ' ' A' ' 16' ' ' HIS . 14.9 t60 -60.68 -46.05 91.83 Favored 'General case' 0 C--N 1.303 -1.415 0 C-N-CA 119.766 -0.774 . . . . 0.0 109.392 179.722 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 24.6 tp10 -60.84 -42.44 97.78 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 121.185 -0.947 . . . . 0.0 110.307 -179.147 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.2 mtpp -62.94 -30.5 71.61 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.544 -0.723 . . . . 0.0 112.77 -178.409 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 48.6 m-85 -138.12 -6.3 1.62 Allowed 'General case' 0 N--CA 1.506 2.328 0 O-C-N 120.75 -1.219 . . . . 0.0 112.271 -177.036 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.565 ' N ' ' O ' ' A' ' 12' ' ' HIS . 84.2 m-70 53.27 41.81 32.12 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.45 -1.406 . . . . 0.0 107.357 -177.996 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 88.9 p -65.18 157.0 29.94 Favored 'General case' 0 C--N 1.302 -1.461 0 CA-C-O 121.543 0.687 . . . . 0.0 110.786 -178.533 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -73.47 156.5 38.15 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.612 -0.68 . . . . 0.0 109.712 179.897 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 46.7 p-90 -54.61 -29.78 52.83 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.311 -0.868 . . . . 0.0 109.836 -179.945 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 83.0 mtm180 -62.16 -40.99 97.84 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.959 -1.088 . . . . 0.0 109.762 -179.842 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.18 -48.46 57.15 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.376 -0.827 . . . . 0.0 109.401 -179.9 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 78.6 mtm -60.98 -39.84 91.15 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.311 -0.868 . . . . 0.0 109.375 179.87 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.461 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -58.21 -49.45 77.01 Favored 'General case' 0 C--N 1.303 -1.423 0 C-N-CA 119.365 -0.934 . . . . 0.0 109.111 179.571 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 44.7 t -69.7 -35.35 75.0 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.337 -0.852 . . . . 0.0 110.058 179.618 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 58.4 t0 -59.96 -40.78 90.19 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.272 -0.892 . . . . 0.0 110.552 -179.158 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -112.08 2.42 16.78 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.448 -0.783 . . . . 0.0 110.384 -179.98 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.461 ' N ' ' O ' ' A' ' 23' ' ' ALA . 15.3 m120 56.86 47.85 17.12 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.213 -0.929 . . . . 0.0 109.982 179.268 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 64.9 mt -113.19 152.9 45.47 Favored Pre-proline 0 N--CA 1.498 1.936 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 179.703 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -62.06 147.88 94.24 Favored 'Trans proline' 0 N--CA 1.492 1.431 0 C-N-CA 121.595 1.53 . . . . 0.0 111.446 179.629 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo -41.51 -37.04 3.27 Favored 'Trans proline' 0 C--N 1.314 -1.262 0 C-N-CA 122.065 1.844 . . . . 0.0 111.973 -179.965 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 42.3 t -52.95 -50.2 45.27 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.869 0 O-C-N 121.329 -0.857 . . . . 0.0 110.528 -178.469 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.6 HG13 HD11 ' A' ' 5' ' ' ILE . 98.7 t -66.9 -46.77 84.32 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.818 0 C-N-CA 118.688 -1.205 . . . . 0.0 109.611 -179.156 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.68 -42.11 82.62 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.382 -0.824 . . . . 0.0 109.912 -179.863 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.2 mmmm -60.65 -37.96 83.23 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.068 -1.02 . . . . 0.0 109.848 -179.855 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.3 tm-20 -62.22 -39.76 93.86 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.189 -0.944 . . . . 0.0 110.748 -178.53 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 61.9 mt -60.31 -39.62 81.42 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 O-C-N 120.772 -1.205 . . . . 0.0 108.28 179.733 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 55.4 t -64.77 -39.6 86.19 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 121.265 -0.897 . . . . 0.0 108.988 178.971 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.401 ' O ' ' OE1' ' A' ' 44' ' ' GLN . . . -62.1 -34.16 75.8 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.45 -0.781 . . . . 0.0 109.276 179.664 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 58.1 m -77.32 -26.18 51.89 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.137 -0.977 . . . . 0.0 110.14 -179.09 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 35.3 t -81.32 104.76 12.0 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.996 -1.065 . . . . 0.0 108.731 179.532 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -60.32 -30.09 69.29 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.48 -0.762 . . . . 0.0 110.525 -178.94 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -70.42 -41.09 73.39 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.143 -0.973 . . . . 0.0 110.048 -179.173 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 87.3 m -87.61 -27.31 22.59 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 120.958 -1.089 . . . . 0.0 109.664 179.891 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.401 ' OE1' ' O ' ' A' ' 38' ' ' ALA . 15.9 tt0 . . . . . 0 N--CA 1.489 1.511 0 O-C-N 121.439 -0.788 . . . . 0.0 109.185 -179.484 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 1' ' ' PHE . . . . . 0.514 ' O ' HD12 ' B' ' 5' ' ' ILE . 65.6 m-85 . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 121.455 0.645 . . . . 0.0 109.44 . . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 20.1 mt -72.62 -22.53 60.94 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.582 -0.699 . . . . 0.0 111.099 -178.63 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -68.14 -64.8 0.79 Allowed 'General case' 0 N--CA 1.497 1.911 0 O-C-N 120.91 -1.119 . . . . 0.0 111.288 -178.43 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.3 -40.55 99.17 Favored Glycine 0 N--CA 1.493 2.464 0 N-CA-C 110.151 -1.179 . . . . 0.0 110.151 -178.984 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 5' ' ' ILE . . . . . 0.611 HD11 HG13 ' B' ' 32' ' ' VAL . 96.1 mt -59.94 -40.02 81.78 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.485 0 O-C-N 121.253 -1.146 . . . . 0.0 110.09 -179.594 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 58.5 t0 -55.5 -48.45 74.6 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.008 -1.058 . . . . 0.0 108.249 -179.82 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 29.8 ttmt -67.99 -43.39 79.01 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.248 -0.908 . . . . 0.0 109.066 179.02 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.68 -35.49 80.73 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.307 -0.87 . . . . 0.0 109.304 179.655 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 9' ' ' GLN . . . . . 0.419 ' N ' ' O ' ' B' ' 5' ' ' ILE . 9.2 tm0? -57.14 -40.7 77.69 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.299 -0.875 . . . . 0.0 109.212 -179.554 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 45.0 tp10 -60.22 -41.9 94.05 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.161 -0.962 . . . . 0.0 108.67 178.945 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 13.1 tm-20 -60.25 -41.33 92.97 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.345 -0.847 . . . . 0.0 109.007 179.051 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 12' ' ' HIS . . . . . 0.552 ' O ' ' N ' ' B' ' 16' ' ' HIS . 14.6 t60 -60.79 -45.57 93.85 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.209 -0.932 . . . . 0.0 109.655 179.586 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 23.9 tp10 -61.04 -42.85 99.26 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.04 -1.038 . . . . 0.0 110.336 -179.182 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp -62.57 -30.54 71.39 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.479 -0.763 . . . . 0.0 112.894 -178.677 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 49.3 m-85 -137.75 -6.54 1.69 Allowed 'General case' 0 N--CA 1.505 2.288 0 O-C-N 120.734 -1.228 . . . . 0.0 112.333 -176.905 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.552 ' N ' ' O ' ' B' ' 12' ' ' HIS . 82.1 m-70 52.89 42.74 32.09 Favored 'General case' 0 N--CA 1.495 1.788 0 N-CA-C 107.374 -1.343 . . . . 0.0 107.374 -177.953 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 93.6 p -65.97 157.32 31.1 Favored 'General case' 0 C--N 1.301 -1.516 0 CA-C-O 121.599 0.714 . . . . 0.0 110.485 -178.099 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -73.94 156.72 37.32 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.48 -0.763 . . . . 0.0 109.446 179.674 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 46.7 p-90 -54.87 -30.07 56.99 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.36 -0.838 . . . . 0.0 109.704 -179.724 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 82.9 mtm180 -61.9 -40.79 96.65 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.92 -1.112 . . . . 0.0 109.983 -179.865 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.93 -49.01 56.23 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.28 -0.888 . . . . 0.0 109.323 179.808 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 78.2 mtm -60.5 -40.19 90.48 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.24 -0.912 . . . . 0.0 109.573 179.886 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.464 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -58.32 -48.89 79.09 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.261 -0.899 . . . . 0.0 109.101 -179.972 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 45.3 t -70.25 -35.1 73.57 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.351 -0.843 . . . . 0.0 109.879 179.667 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 57.9 t0 -60.25 -40.6 90.84 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.278 -0.889 . . . . 0.0 110.51 -179.305 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -112.09 2.32 16.72 Favored 'General case' 0 N--CA 1.502 2.142 0 O-C-N 121.39 -0.819 . . . . 0.0 110.271 -179.878 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 27' ' ' ASN . . . . . 0.464 ' N ' ' O ' ' B' ' 23' ' ' ALA . 14.6 m120 56.84 47.18 18.44 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.344 -0.847 . . . . 0.0 110.266 179.505 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 66.0 mt -112.84 152.33 44.74 Favored Pre-proline 0 N--CA 1.5 2.044 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 179.886 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -61.61 148.45 92.99 Favored 'Trans proline' 0 N--CA 1.49 1.31 0 C-N-CA 121.434 1.423 . . . . 0.0 111.538 179.974 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo -42.18 -36.7 4.24 Favored 'Trans proline' 0 C--N 1.315 -1.216 0 C-N-CA 122.091 1.861 . . . . 0.0 111.601 179.851 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 40.5 t -53.17 -50.09 48.0 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.721 0 O-C-N 121.141 -0.974 . . . . 0.0 110.579 -178.656 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 32' ' ' VAL . . . . . 0.611 HG13 HD11 ' B' ' 5' ' ' ILE . 89.8 t -66.87 -47.11 83.54 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.662 0 C-N-CA 118.649 -1.22 . . . . 0.0 109.57 -179.228 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.19 -42.59 83.94 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.568 -0.707 . . . . 0.0 110.261 179.967 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 3.2 mmmm -60.43 -37.43 80.86 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.07 -1.019 . . . . 0.0 109.874 -179.818 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 -62.46 -40.11 95.58 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.202 -0.936 . . . . 0.0 110.53 -178.596 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 61.6 mt -59.94 -40.17 82.19 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 O-C-N 120.647 -1.283 . . . . 0.0 108.102 179.821 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 60.2 t -64.13 -40.38 88.86 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 O-C-N 121.138 -0.976 . . . . 0.0 108.841 179.469 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.22 -33.88 74.21 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.521 -0.737 . . . . 0.0 109.346 179.873 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 57.9 m -77.33 -26.83 52.49 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.212 -0.93 . . . . 0.0 110.043 -178.714 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 31.2 t -81.39 105.0 12.22 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.155 -0.965 . . . . 0.0 108.975 179.623 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -60.31 -30.07 69.25 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.577 -0.702 . . . . 0.0 110.73 -178.687 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -70.44 -41.26 73.09 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 120.917 -1.114 . . . . 0.0 110.203 -179.203 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 86.0 m -87.02 -27.49 23.18 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.187 -0.946 . . . . 0.0 109.63 179.465 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 . . . . . 0 N--CA 1.492 1.667 0 O-C-N 121.095 -1.003 . . . . 0.0 109.211 -179.588 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 1' ' ' PHE . . . . . 0.441 ' CE2' ' CE2' ' B' ' 1' ' ' PHE . 43.1 m-85 . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 121.359 0.6 . . . . 0.0 109.481 . . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 73.0 mt -68.96 -38.0 79.14 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.272 -0.892 . . . . 0.0 111.247 -178.743 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 62.6 t0 -60.99 -50.31 73.91 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 120.593 -1.317 . . . . 0.0 111.468 -178.54 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.36 -43.65 92.23 Favored Glycine 0 N--CA 1.49 2.259 0 N-CA-C 109.314 -1.514 . . . . 0.0 109.314 -179.438 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.416 HD12 ' O ' ' A' ' 1' ' ' PHE . 88.1 mt -60.04 -38.58 77.35 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.499 0 O-C-N 121.616 -0.932 . . . . 0.0 110.892 -179.798 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -56.72 -47.24 80.42 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 120.505 -1.372 . . . . 0.0 108.8 -179.51 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.9 mtpp -69.15 -40.48 78.17 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.043 -1.035 . . . . 0.0 109.08 179.119 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.99 -38.05 85.33 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 119.764 -0.774 . . . . 0.0 109.565 179.843 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -55.48 -40.42 71.67 Favored 'General case' 0 C--N 1.297 -1.677 0 C-N-CA 119.676 -0.809 . . . . 0.0 109.115 -179.547 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -63.51 -43.58 96.78 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.912 -1.118 . . . . 0.0 109.557 179.079 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.0 tm-20 -60.08 -44.93 94.42 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.126 -0.983 . . . . 0.0 109.245 -179.888 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.517 ' O ' ' N ' ' A' ' 16' ' ' HIS . 15.8 t60 -61.19 -45.23 95.45 Favored 'General case' 0 C--N 1.3 -1.563 0 C-N-CA 119.191 -1.004 . . . . 0.0 109.726 179.958 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 15.0 tm-20 -61.12 -40.25 93.06 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 120.937 -1.102 . . . . 0.0 110.317 -178.94 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -65.0 -38.97 92.73 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.264 -0.897 . . . . 0.0 112.609 -178.954 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -129.98 -3.63 4.56 Favored 'General case' 0 N--CA 1.511 2.595 0 O-C-N 120.987 -1.071 . . . . 0.0 112.45 -176.488 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.517 ' N ' ' O ' ' A' ' 12' ' ' HIS . 93.1 m-70 53.85 40.36 31.45 Favored 'General case' 0 N--CA 1.497 1.916 0 N-CA-C 107.586 -1.264 . . . . 0.0 107.586 -178.114 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.5 p -59.72 154.76 17.3 Favored 'General case' 0 N--CA 1.489 1.476 0 CA-C-O 121.263 0.554 . . . . 0.0 110.475 -178.782 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -72.65 149.61 43.72 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.211 -0.931 . . . . 0.0 108.984 179.661 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 47.5 p-90 -51.22 -30.24 16.69 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 120.831 -1.168 . . . . 0.0 110.234 -179.273 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 63.1 mtp180 -63.3 -43.62 97.33 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.906 -1.121 . . . . 0.0 110.437 179.591 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.45 -46.43 66.72 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.685 -1.259 . . . . 0.0 108.446 179.901 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 22.0 mtp -60.59 -45.43 94.0 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.634 -0.667 . . . . 0.0 109.587 179.896 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.53 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -58.69 -43.04 89.87 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.301 -0.874 . . . . 0.0 109.08 179.547 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 31.2 m -70.2 -38.42 75.32 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.444 -0.785 . . . . 0.0 109.579 179.71 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 61.4 t0 -59.58 -42.21 91.99 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.202 -0.936 . . . . 0.0 110.215 -179.227 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -106.64 -2.41 21.76 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.463 -0.773 . . . . 0.0 109.561 179.894 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.53 ' N ' ' O ' ' A' ' 23' ' ' ALA . 11.8 t-20 56.52 50.04 13.68 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.499 -0.75 . . . . 0.0 109.584 179.186 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 68.2 mt -115.54 146.21 36.16 Favored Pre-proline 0 N--CA 1.5 2.033 0 O-C-N 121.609 -0.682 . . . . 0.0 109.385 179.789 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_exo -45.54 144.66 4.81 Favored 'Trans proline' 0 N--CA 1.489 1.217 0 C-N-CA 121.781 1.654 . . . . 0.0 111.585 178.927 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -44.57 -37.16 10.84 Favored 'Trans proline' 0 C--N 1.312 -1.376 0 C-N-CA 121.694 1.596 . . . . 0.0 111.729 178.986 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 48.4 t -53.73 -50.18 52.94 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.801 0 C-N-CA 120.148 -0.621 . . . . 0.0 110.086 -178.262 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 51.5 t -63.36 -50.36 79.07 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.806 0 C-N-CA 118.615 -1.234 . . . . 0.0 109.803 -178.616 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.92 -43.02 89.35 Favored 'General case' 0 N--CA 1.489 1.511 0 C-N-CA 119.079 -1.049 . . . . 0.0 109.597 179.562 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 23.8 mtpp -62.13 -37.91 86.97 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.863 -1.148 . . . . 0.0 110.415 -179.811 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.4 tm-20 -61.52 -39.87 92.57 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.016 -1.053 . . . . 0.0 110.731 -178.934 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 82.0 mt -59.71 -39.64 80.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 120.708 -1.245 . . . . 0.0 107.929 179.568 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 92.2 t -60.64 -39.95 83.15 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.231 -0.918 . . . . 0.0 108.728 178.687 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.404 ' O ' ' OE1' ' A' ' 44' ' ' GLN . . . -60.66 -31.57 70.79 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.171 -0.956 . . . . 0.0 108.661 178.714 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 63.2 m -75.55 -30.4 59.7 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.33 -0.856 . . . . 0.0 109.187 179.775 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 44.9 t -81.05 98.77 8.13 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.369 -0.832 . . . . 0.0 109.601 179.772 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -59.94 -28.87 67.99 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.547 -0.72 . . . . 0.0 110.589 -179.355 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 59.4 mttp -68.42 -38.13 80.93 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 120.843 -1.16 . . . . 0.0 110.058 -178.517 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 55.1 m -86.48 -34.79 19.95 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.386 -0.821 . . . . 0.0 110.89 -179.836 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.551 ' NE2' ' OE1' ' B' ' 44' ' ' GLN . 53.0 tt0 . . . . . 0 N--CA 1.499 2.011 0 O-C-N 121.359 -0.838 . . . . 0.0 111.666 -177.831 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 1' ' ' PHE . . . . . 0.441 ' CE2' ' CE2' ' A' ' 1' ' ' PHE . 34.7 m-85 . . . . . 0 N--CA 1.494 1.731 0 CA-C-O 121.384 0.612 . . . . 0.0 109.566 . . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 69.3 mt -70.64 -37.4 73.75 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.194 -0.941 . . . . 0.0 111.339 -178.672 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -60.37 -51.71 68.35 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 120.904 -1.123 . . . . 0.0 111.019 -178.218 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.46 -42.4 93.77 Favored Glycine 0 N--CA 1.49 2.25 0 C-N-CA 119.307 -1.425 . . . . 0.0 109.675 -179.402 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 5' ' ' ILE . . . . . 0.407 ' O ' ' N ' ' B' ' 9' ' ' GLN . 83.8 mt -60.29 -39.43 80.8 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.523 0 O-C-N 121.57 -0.959 . . . . 0.0 110.356 -179.74 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 62.0 t0 -55.67 -46.99 77.48 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 120.737 -1.227 . . . . 0.0 109.306 -179.314 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -69.59 -40.22 76.82 Favored 'General case' 0 N--CA 1.492 1.628 0 C-N-CA 119.155 -1.018 . . . . 0.0 109.093 178.908 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.11 -38.09 85.03 Favored 'General case' 0 C--N 1.304 -1.401 0 C-N-CA 120.062 -0.655 . . . . 0.0 109.437 -179.939 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 9' ' ' GLN . . . . . 0.407 ' N ' ' O ' ' B' ' 5' ' ' ILE . 61.2 tt0 -56.0 -40.72 73.77 Favored 'General case' 0 C--N 1.306 -1.303 0 C-N-CA 119.707 -0.797 . . . . 0.0 108.992 -179.465 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -62.76 -43.62 98.33 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.208 -0.933 . . . . 0.0 109.664 178.931 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 13.6 tm-20 -61.08 -44.67 97.01 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.345 -0.847 . . . . 0.0 109.178 -179.643 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 12' ' ' HIS . . . . . 0.562 ' O ' ' N ' ' B' ' 16' ' ' HIS . 14.6 t60 -60.92 -45.18 95.68 Favored 'General case' 0 C--N 1.298 -1.648 0 C-N-CA 119.323 -0.951 . . . . 0.0 109.231 179.807 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 13.9 tm-20 -60.86 -41.53 96.1 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.19 -0.944 . . . . 0.0 110.081 -178.914 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 26.3 mtpp -64.04 -37.65 88.2 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.167 -0.958 . . . . 0.0 112.505 -178.739 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 46.5 m-85 -131.29 -4.6 3.83 Favored 'General case' 0 N--CA 1.508 2.464 0 O-C-N 120.719 -1.238 . . . . 0.0 112.486 -176.233 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.562 ' N ' ' O ' ' B' ' 12' ' ' HIS . 92.9 m-70 54.77 41.5 31.87 Favored 'General case' 0 N--CA 1.493 1.705 0 N-CA-C 107.468 -1.308 . . . . 0.0 107.468 -177.969 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 8.4 p -60.94 155.12 20.63 Favored 'General case' 0 N--CA 1.488 1.45 0 CA-C-O 121.191 0.52 . . . . 0.0 110.441 -179.036 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -73.31 149.95 42.28 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.299 -0.876 . . . . 0.0 108.849 179.432 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 44.5 p-90 -51.21 -30.14 16.32 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.077 -1.014 . . . . 0.0 110.493 -178.963 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 62.4 mtp180 -63.25 -43.35 98.27 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.692 -1.255 . . . . 0.0 110.516 179.849 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.17 -47.42 64.98 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 120.942 -1.099 . . . . 0.0 108.372 -179.907 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 26.1 mtp -59.5 -44.73 93.03 Favored 'General case' 0 C--N 1.293 -1.865 0 CA-C-O 121.502 0.668 . . . . 0.0 110.146 179.2 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.532 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -59.71 -42.55 93.3 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.088 -1.007 . . . . 0.0 109.16 179.529 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 47.2 m -70.46 -38.48 74.46 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.293 -0.879 . . . . 0.0 109.913 179.514 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -59.7 -42.27 92.64 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.393 -0.817 . . . . 0.0 110.015 -179.21 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -106.06 -3.05 22.02 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 121.393 -0.817 . . . . 0.0 109.653 179.793 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 27' ' ' ASN . . . . . 0.532 ' N ' ' O ' ' B' ' 23' ' ' ALA . 15.4 t-20 57.41 49.84 12.33 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.584 -0.698 . . . . 0.0 110.048 179.594 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 65.3 mt -115.15 148.11 39.93 Favored Pre-proline 0 N--CA 1.503 2.195 0 O-C-N 121.314 -0.866 . . . . 0.0 109.812 -179.986 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -47.14 145.4 7.69 Favored 'Trans proline' 0 N--CA 1.488 1.189 0 C-N-CA 121.648 1.566 . . . . 0.0 111.676 178.475 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -44.96 -37.51 12.41 Favored 'Trans proline' 0 N--CA 1.488 1.179 0 C-N-CA 121.906 1.737 . . . . 0.0 111.541 179.237 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 47.2 t -53.63 -49.88 53.68 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.814 0 O-C-N 121.684 -0.635 . . . . 0.0 110.664 -178.628 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 61.2 t -63.44 -50.0 80.39 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.749 0 C-N-CA 118.441 -1.303 . . . . 0.0 109.747 -178.758 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.41 -43.09 86.71 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 120.94 -1.1 . . . . 0.0 109.876 179.661 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 23.8 mtpp -62.19 -37.82 86.77 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.972 -1.08 . . . . 0.0 110.253 179.871 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.1 tm-20 -61.65 -39.72 92.35 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.873 -1.142 . . . . 0.0 110.637 -179.025 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 78.2 mt -60.05 -38.9 78.69 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 120.854 -1.154 . . . . 0.0 108.034 179.55 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 85.4 t -61.6 -40.18 85.71 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.478 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 179.089 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 38' ' ' ALA . . . . . 0.547 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -60.5 -30.55 69.79 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.241 -0.912 . . . . 0.0 108.857 178.717 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 49.8 m -76.52 -29.63 56.83 Favored 'General case' 0 C--N 1.302 -1.486 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 179.933 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 44.4 t -81.6 98.54 8.39 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.467 -0.771 . . . . 0.0 109.223 179.764 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -59.58 -29.45 67.96 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.366 -0.834 . . . . 0.0 110.185 -179.644 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 58.6 mttp -68.2 -38.01 81.52 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.25 -0.907 . . . . 0.0 110.302 -178.457 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 54.9 m -86.75 -33.72 19.87 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 120.991 -1.068 . . . . 0.0 110.847 -179.496 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 44' ' ' GLN . . . . . 0.551 ' OE1' ' NE2' ' A' ' 44' ' ' GLN . 6.5 tt0 . . . . . 0 N--CA 1.5 2.071 0 O-C-N 121.165 -0.96 . . . . 0.0 111.595 -177.985 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 1' ' ' PHE . . . . . 0.55 ' O ' HD12 ' A' ' 5' ' ' ILE . 95.6 m-85 . . . . . 0 N--CA 1.488 1.435 0 CA-C-O 121.624 0.726 . . . . 0.0 109.523 . . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 25.2 mt -72.53 -35.58 68.09 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.548 -0.72 . . . . 0.0 111.669 -178.414 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 61.3 t0 -66.34 -50.7 62.68 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 120.723 -1.235 . . . . 0.0 111.558 -178.478 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.19 -45.59 79.62 Favored Glycine 0 N--CA 1.489 2.188 0 N-CA-C 109.536 -1.426 . . . . 0.0 109.536 -179.035 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.55 HD12 ' O ' ' A' ' 1' ' ' PHE . 89.7 mt -59.54 -39.96 80.72 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.575 0 O-C-N 121.692 -0.887 . . . . 0.0 110.267 179.903 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -54.65 -46.33 73.97 Favored 'General case' 0 C--N 1.297 -1.678 0 C-N-CA 119.173 -1.011 . . . . 0.0 109.235 -179.496 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -69.93 -41.78 74.16 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.782 -1.199 . . . . 0.0 109.187 178.791 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.36 -35.77 80.03 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.391 -0.818 . . . . 0.0 109.593 179.912 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.409 ' N ' ' O ' ' A' ' 5' ' ' ILE . 59.8 tt0 -59.06 -41.29 87.56 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.281 -0.887 . . . . 0.0 109.655 -179.361 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -60.89 -40.41 92.92 Favored 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 118.743 -1.183 . . . . 0.0 108.748 179.433 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.9 tm-20 -61.19 -40.67 94.79 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.136 -0.978 . . . . 0.0 109.03 179.047 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.518 ' O ' ' N ' ' A' ' 16' ' ' HIS . 16.4 t60 -60.88 -48.17 83.03 Favored 'General case' 0 C--N 1.305 -1.334 0 C-N-CA 119.362 -0.935 . . . . 0.0 109.182 179.277 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -60.25 -40.09 89.07 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.121 -0.987 . . . . 0.0 110.04 -179.55 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt -64.05 -35.08 79.54 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.122 -0.986 . . . . 0.0 112.603 -179.48 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 51.7 m-85 -136.01 -3.75 2.23 Favored 'General case' 0 N--CA 1.511 2.59 0 O-C-N 120.535 -1.353 . . . . 0.0 113.026 -176.908 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.518 ' N ' ' O ' ' A' ' 12' ' ' HIS . 87.8 m-70 53.7 42.68 31.77 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.571 -1.33 . . . . 0.0 107.455 -178.284 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 88.3 p -67.72 156.43 36.98 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.501 -0.75 . . . . 0.0 110.618 -178.393 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -72.74 160.28 32.46 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.517 -0.739 . . . . 0.0 109.03 179.608 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 41.0 p-90 -58.64 -30.75 67.54 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.293 -0.879 . . . . 0.0 110.658 -178.906 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -62.52 -39.97 95.26 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 120.762 -1.211 . . . . 0.0 109.987 179.984 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.85 -49.06 61.53 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 121.251 -0.906 . . . . 0.0 109.594 -179.566 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 77.9 mtm -60.59 -40.06 90.37 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.991 -1.068 . . . . 0.0 109.434 179.717 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.515 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -56.64 -45.65 81.47 Favored 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 119.507 -0.877 . . . . 0.0 109.351 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 15.2 t -69.42 -37.57 77.5 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.288 -0.883 . . . . 0.0 110.345 179.908 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -60.57 -39.63 88.71 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.305 -0.872 . . . . 0.0 110.719 -179.056 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -112.23 -0.49 15.48 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.376 -0.828 . . . . 0.0 109.665 -179.628 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.515 ' N ' ' O ' ' A' ' 23' ' ' ALA . 91.8 m-20 54.84 49.15 18.49 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.64 -0.663 . . . . 0.0 109.614 179.655 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 85.9 mt -112.37 153.42 44.83 Favored Pre-proline 0 N--CA 1.496 1.829 0 N-CA-C 108.45 -0.945 . . . . 0.0 108.45 -179.937 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -60.55 150.62 80.59 Favored 'Trans proline' 0 N--CA 1.492 1.399 0 C-N-CA 121.427 1.418 . . . . 0.0 111.27 179.923 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.463 ' O ' ' CG ' ' A' ' 34' ' ' LYS . 23.7 Cg_exo -44.69 -33.69 7.28 Favored 'Trans proline' 0 C--N 1.311 -1.446 0 C-N-CA 121.939 1.759 . . . . 0.0 111.604 179.36 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.457 HG11 HD11 ' B' ' 5' ' ' ILE . 84.9 t -55.43 -49.05 76.02 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.655 0 O-C-N 121.294 -0.879 . . . . 0.0 110.532 -177.836 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.436 HG13 HD11 ' A' ' 5' ' ' ILE . 59.7 t -67.95 -47.5 78.78 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.749 0 C-N-CA 118.115 -1.434 . . . . 0.0 109.309 -179.067 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.99 -41.07 87.38 Favored 'General case' 0 C--N 1.301 -1.526 0 C-N-CA 119.654 -0.818 . . . . 0.0 110.278 -179.797 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.463 ' CG ' ' O ' ' A' ' 30' ' ' PRO . 13.6 mmmt -62.51 -39.51 93.77 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.067 -1.021 . . . . 0.0 109.593 179.899 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.7 tm-20 -60.54 -39.68 88.8 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.357 -0.839 . . . . 0.0 110.559 -178.919 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 47.9 mt -59.59 -39.82 80.44 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 120.728 -1.232 . . . . 0.0 108.674 -179.583 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 78.3 t -60.72 -39.72 82.59 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.179 -0.951 . . . . 0.0 108.622 179.27 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.503 ' O ' ' NE2' ' A' ' 44' ' ' GLN . . . -61.2 -30.76 70.62 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.523 -0.735 . . . . 0.0 109.608 179.528 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.7 m -74.53 -33.43 62.77 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.413 -0.804 . . . . 0.0 109.066 -179.618 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 41.8 t -81.13 103.14 10.73 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.281 -0.887 . . . . 0.0 109.314 179.807 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -61.91 -29.93 70.55 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.245 -0.91 . . . . 0.0 109.94 -179.841 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 50.0 mtpt -68.78 -40.32 79.73 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.176 -0.953 . . . . 0.0 110.262 -178.647 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 80.1 m -84.89 -26.5 27.27 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.639 -1.288 . . . . 0.0 109.714 179.125 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.503 ' NE2' ' O ' ' A' ' 38' ' ' ALA . 7.1 tt0 . . . . . 0 C--N 1.3 -1.556 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 179.395 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 1' ' ' PHE . . . . . 0.576 ' O ' HD12 ' B' ' 5' ' ' ILE . 96.8 m-85 . . . . . 0 N--CA 1.491 1.591 0 CA-C-O 121.665 0.745 . . . . 0.0 109.788 . . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 25.4 mt -74.09 -36.48 64.28 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.495 -0.753 . . . . 0.0 111.776 -178.116 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 54.6 t0 -66.12 -50.34 64.37 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 120.794 -1.192 . . . . 0.0 111.952 -178.129 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.13 -44.64 65.58 Favored Glycine 0 N--CA 1.486 2.019 0 N-CA-C 109.347 -1.501 . . . . 0.0 109.347 -178.821 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 5' ' ' ILE . . . . . 0.576 HD12 ' O ' ' B' ' 1' ' ' PHE . 91.7 mt -59.76 -38.7 77.2 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.691 0 O-C-N 121.563 -0.963 . . . . 0.0 110.045 179.758 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -55.78 -45.81 78.07 Favored 'General case' 0 C--N 1.301 -1.502 0 C-N-CA 118.901 -1.12 . . . . 0.0 109.029 -179.384 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -69.68 -42.7 73.78 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 120.869 -1.144 . . . . 0.0 109.323 178.951 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.87 -35.88 81.04 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.273 -0.892 . . . . 0.0 109.663 179.935 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -58.91 -40.62 85.06 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.309 -0.869 . . . . 0.0 109.656 -179.062 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -61.29 -39.83 91.88 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 120.884 -1.135 . . . . 0.0 108.575 178.952 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 14.9 tm-20 -62.05 -42.49 99.23 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.285 -0.885 . . . . 0.0 109.071 179.193 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 12' ' ' HIS . . . . . 0.524 ' O ' ' N ' ' B' ' 16' ' ' HIS . 14.7 t60 -60.01 -46.53 89.18 Favored 'General case' 0 C--N 1.303 -1.452 0 C-N-CA 119.193 -1.003 . . . . 0.0 108.989 179.762 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -60.55 -39.79 89.23 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.43 -0.794 . . . . 0.0 110.307 -179.911 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -66.03 -30.64 71.21 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.191 -0.943 . . . . 0.0 112.578 -178.902 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -139.4 -4.99 1.43 Allowed 'General case' 0 N--CA 1.508 2.441 0 O-C-N 120.469 -1.395 . . . . 0.0 112.82 -176.87 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.524 ' N ' ' O ' ' B' ' 12' ' ' HIS . 89.8 m-70 54.45 43.2 30.73 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.567 -1.333 . . . . 0.0 107.755 -177.914 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 77.6 p -68.17 155.08 40.38 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.609 -0.682 . . . . 0.0 110.645 -178.865 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -71.31 158.65 35.98 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.603 -0.685 . . . . 0.0 109.494 179.659 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 38.5 p-90 -56.96 -30.45 64.09 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.264 -0.897 . . . . 0.0 110.445 -179.256 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -63.68 -39.91 95.49 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.958 -1.089 . . . . 0.0 110.214 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.37 -47.79 63.21 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.227 -0.921 . . . . 0.0 109.639 -179.277 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 77.3 mtm -61.77 -39.94 93.4 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.136 -0.977 . . . . 0.0 109.372 179.391 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.511 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -56.89 -44.84 82.71 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.432 -0.793 . . . . 0.0 109.11 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 12.6 t -69.97 -38.55 76.12 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.317 -0.864 . . . . 0.0 109.707 179.773 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -59.76 -37.36 78.79 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.394 -0.816 . . . . 0.0 111.029 -179.135 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -114.05 -1.94 13.62 Favored 'General case' 0 N--CA 1.5 2.06 0 O-C-N 121.171 -0.956 . . . . 0.0 109.771 -179.464 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 27' ' ' ASN . . . . . 0.511 ' N ' ' O ' ' B' ' 23' ' ' ALA . 89.5 m-20 55.48 48.13 19.54 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.619 -0.675 . . . . 0.0 109.347 179.886 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 82.8 mt -112.17 152.46 44.42 Favored Pre-proline 0 N--CA 1.499 1.975 0 N-CA-C 108.215 -1.031 . . . . 0.0 108.215 179.732 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -59.99 151.53 71.34 Favored 'Trans proline' 0 N--CA 1.494 1.528 0 C-N-CA 121.604 1.536 . . . . 0.0 111.788 179.677 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 30' ' ' PRO . . . . . 0.482 ' O ' ' CG ' ' B' ' 34' ' ' LYS . 24.2 Cg_exo -45.31 -33.38 8.67 Favored 'Trans proline' 0 C--N 1.31 -1.491 0 C-N-CA 122.052 1.834 . . . . 0.0 111.97 179.388 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.448 HG11 HD11 ' A' ' 5' ' ' ILE . 85.7 t -56.23 -49.49 76.06 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.614 0 C-N-CA 119.513 -0.875 . . . . 0.0 110.522 -177.802 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 32' ' ' VAL . . . . . 0.436 HG13 HD11 ' B' ' 5' ' ' ILE . 57.4 t -67.74 -48.1 77.23 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.664 0 C-N-CA 118.432 -1.307 . . . . 0.0 109.424 -178.813 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.52 -41.08 89.35 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.284 -0.885 . . . . 0.0 110.045 179.93 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.482 ' CG ' ' O ' ' B' ' 30' ' ' PRO . 13.5 mmmt -62.04 -39.84 93.73 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 120.988 -1.07 . . . . 0.0 109.786 179.848 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 12.8 tm-20 -60.48 -38.96 85.97 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.152 -0.967 . . . . 0.0 110.821 -178.927 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 49.2 mt -60.17 -39.87 81.85 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 O-C-N 120.963 -1.086 . . . . 0.0 108.158 -179.641 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 73.7 t -60.11 -39.9 81.81 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.479 0 O-C-N 121.132 -0.98 . . . . 0.0 108.615 179.177 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 38' ' ' ALA . . . . . 0.455 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -61.9 -30.01 70.59 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.639 -0.663 . . . . 0.0 109.469 179.452 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 34.5 m -75.28 -33.04 61.2 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.127 -0.983 . . . . 0.0 108.985 -179.473 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 41.4 t -80.95 101.84 9.74 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.425 -0.797 . . . . 0.0 109.572 179.743 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 83.1 m-20 -61.2 -29.26 69.7 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.566 -0.709 . . . . 0.0 109.625 -179.843 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 48.2 mtpt -69.71 -39.96 76.57 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.106 -0.996 . . . . 0.0 110.202 -178.697 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 65.6 m -84.65 -28.18 26.61 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 120.657 -1.277 . . . . 0.0 109.319 179.426 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 44' ' ' GLN . . . . . 0.455 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 6.9 tt0 . . . . . 0 C--N 1.303 -1.441 0 O-C-N 121.062 -1.024 . . . . 0.0 108.778 179.606 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 1' ' ' PHE . . . . . 0.469 ' CZ ' ' CZ ' ' B' ' 1' ' ' PHE . 45.1 m-85 . . . . . 0 N--CA 1.484 1.261 0 CA-C-O 121.357 0.599 . . . . 0.0 109.828 . . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 43.9 mt -69.92 -39.68 76.0 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.339 -0.851 . . . . 0.0 110.994 -178.504 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -63.63 -44.92 92.5 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 120.836 -1.165 . . . . 0.0 110.624 -178.721 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.06 -46.68 50.09 Favored Glycine 0 N--CA 1.492 2.406 0 N-CA-C 109.912 -1.275 . . . . 0.0 109.912 -179.937 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.454 HD11 HG11 ' B' ' 31' ' ' VAL . 82.2 mt -59.98 -39.69 80.93 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 121.645 -0.915 . . . . 0.0 110.197 -179.914 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 61.3 t0 -55.11 -46.55 75.57 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.947 -1.096 . . . . 0.0 109.255 -179.39 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -69.96 -42.92 72.52 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.733 -1.229 . . . . 0.0 109.032 178.474 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.21 -36.4 84.06 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.192 -0.942 . . . . 0.0 109.547 -179.897 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.432 ' N ' ' O ' ' A' ' 5' ' ' ILE . 55.4 tt0 -56.32 -42.37 77.53 Favored 'General case' 0 C--N 1.303 -1.426 0 C-N-CA 119.689 -0.804 . . . . 0.0 109.459 -179.648 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 79.9 tt0 -60.8 -40.76 93.9 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.996 -1.065 . . . . 0.0 108.74 178.914 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 15.6 tm-20 -60.48 -41.46 94.26 Favored 'General case' 0 N--CA 1.487 1.398 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 179.435 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.579 ' O ' ' N ' ' A' ' 16' ' ' HIS . 12.9 t60 -61.8 -47.93 82.91 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.186 -0.946 . . . . 0.0 109.815 179.624 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 52.0 tp10 -60.25 -42.48 95.42 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.113 -0.992 . . . . 0.0 110.564 -179.176 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -61.24 -37.45 83.11 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.312 -0.867 . . . . 0.0 112.267 -178.436 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -134.89 -0.89 2.76 Favored 'General case' 0 N--CA 1.505 2.296 0 O-C-N 120.909 -1.12 . . . . 0.0 112.592 -176.722 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.579 ' N ' ' O ' ' A' ' 12' ' ' HIS . 91.0 m-70 52.33 41.26 30.46 Favored 'General case' 0 N--CA 1.501 2.105 0 O-C-N 120.431 -1.418 . . . . 0.0 107.361 -177.99 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 64.5 p -60.32 156.39 15.79 Favored 'General case' 0 C--N 1.303 -1.434 0 CA-C-O 121.523 0.678 . . . . 0.0 110.502 -178.154 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 65.8 m-20 -73.23 158.87 34.37 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.575 -0.703 . . . . 0.0 109.273 -179.721 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.516 ' NE1' ' NH1' ' A' ' 20' ' ' ARG . 18.9 p-90 -56.74 -28.68 61.53 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.342 -0.849 . . . . 0.0 109.432 179.747 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.516 ' NH1' ' NE1' ' A' ' 19' ' ' TRP . 7.3 mtt-85 -63.09 -41.1 99.32 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.207 -0.933 . . . . 0.0 109.39 -179.644 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.0 -48.49 62.95 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.416 -0.802 . . . . 0.0 110.172 -179.238 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 79.0 mtm -61.12 -40.26 93.11 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.129 -0.982 . . . . 0.0 109.81 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.495 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -59.74 -48.53 81.32 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.217 -0.927 . . . . 0.0 109.492 -179.813 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 49.1 m -69.43 -36.6 76.82 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.447 -0.783 . . . . 0.0 110.228 179.843 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -60.22 -38.92 84.84 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.009 -1.057 . . . . 0.0 110.857 -178.592 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -114.19 -0.72 13.85 Favored 'General case' 0 N--CA 1.504 2.226 0 O-C-N 121.186 -0.946 . . . . 0.0 109.702 -179.902 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.495 ' N ' ' O ' ' A' ' 23' ' ' ALA . 51.8 t30 57.63 49.26 12.8 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.516 -0.74 . . . . 0.0 110.32 179.097 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 29.9 mt -114.24 149.1 41.5 Favored Pre-proline 0 N--CA 1.501 2.12 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 179.415 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_exo -49.31 147.16 12.35 Favored 'Trans proline' 0 N--CA 1.492 1.433 0 C-N-CA 121.409 1.406 . . . . 0.0 111.511 179.376 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -44.57 -38.69 12.42 Favored 'Trans proline' 0 C--N 1.315 -1.21 0 C-N-CA 121.765 1.644 . . . . 0.0 111.42 179.459 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.421 HG11 HD11 ' B' ' 5' ' ' ILE . 66.6 t -51.0 -47.48 30.43 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.726 0 O-C-N 121.786 -0.571 . . . . 0.0 110.223 -178.561 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 40.3 t -65.89 -48.46 81.9 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.919 0 C-N-CA 118.256 -1.378 . . . . 0.0 109.727 -179.245 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.61 -45.67 82.23 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.444 -0.785 . . . . 0.0 109.787 179.916 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.436 ' NZ ' ' OE2' ' B' ' 35' ' ' GLU . 7.8 mtmp? -61.91 -36.48 81.47 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.016 -1.053 . . . . 0.0 110.146 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -60.15 -38.11 82.16 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.911 -1.118 . . . . 0.0 109.774 -178.998 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 70.1 mt -59.39 -39.97 80.41 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.465 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 179.309 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 60.4 t -62.44 -37.89 79.93 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 179.124 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.438 ' O ' ' OE1' ' A' ' 44' ' ' GLN . . . -60.43 -34.06 73.43 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.158 -0.964 . . . . 0.0 109.283 179.214 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 51.0 m -77.17 -24.24 51.48 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.981 -1.075 . . . . 0.0 109.922 -179.744 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 42.2 t -83.03 106.76 15.11 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.103 -0.998 . . . . 0.0 109.561 -179.951 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -61.76 -32.19 72.43 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.217 -0.927 . . . . 0.0 110.431 -179.943 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 25.3 mtpp -69.88 -44.1 70.45 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.081 -1.012 . . . . 0.0 111.14 -178.478 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 89.4 m -82.5 -31.87 29.06 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.8 -1.188 . . . . 0.0 109.959 179.898 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.438 ' OE1' ' O ' ' A' ' 38' ' ' ALA . 42.6 tt0 . . . . . 0 N--CA 1.495 1.816 0 O-C-N 121.116 -0.99 . . . . 0.0 110.994 -178.754 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 1' ' ' PHE . . . . . 0.469 ' CZ ' ' CZ ' ' A' ' 1' ' ' PHE . 42.3 m-85 . . . . . 0 N--CA 1.49 1.535 0 CA-C-O 121.447 0.642 . . . . 0.0 109.599 . . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 43.8 mt -70.23 -39.94 74.78 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.352 -0.842 . . . . 0.0 111.192 -178.821 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -64.46 -44.68 90.31 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.785 -1.197 . . . . 0.0 110.518 -178.701 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.64 -47.22 50.56 Favored Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.672 -1.371 . . . . 0.0 109.672 -179.719 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 5' ' ' ILE . . . . . 0.437 HD12 ' O ' ' B' ' 1' ' ' PHE . 80.5 mt -59.59 -38.69 76.76 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.619 -0.93 . . . . 0.0 110.112 -179.954 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 59.0 t0 -56.35 -45.96 80.19 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 120.968 -1.082 . . . . 0.0 109.448 -179.24 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -70.25 -42.7 71.85 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.133 -0.979 . . . . 0.0 108.953 178.243 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.43 -37.72 87.74 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.239 -0.913 . . . . 0.0 109.498 179.824 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 -55.68 -41.84 74.29 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.326 -0.859 . . . . 0.0 109.291 -179.279 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 80.1 tt0 -61.26 -40.07 92.7 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.024 -1.047 . . . . 0.0 108.579 178.929 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 -61.19 -42.43 98.56 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.3 -0.875 . . . . 0.0 108.907 179.17 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 12' ' ' HIS . . . . . 0.59 ' O ' ' N ' ' B' ' 16' ' ' HIS . 12.4 t60 -60.77 -48.27 82.58 Favored 'General case' 0 C--N 1.305 -1.331 0 O-C-N 121.373 -0.829 . . . . 0.0 109.778 179.532 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 50.0 tp10 -60.09 -41.24 92.06 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.853 -1.154 . . . . 0.0 110.846 -179.165 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -61.82 -38.77 89.41 Favored 'General case' 0 C--N 1.299 -1.629 0 O-C-N 121.108 -0.995 . . . . 0.0 112.244 -178.412 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -133.21 -1.47 3.23 Favored 'General case' 0 N--CA 1.506 2.352 0 O-C-N 121.114 -0.991 . . . . 0.0 112.92 -176.506 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.59 ' N ' ' O ' ' B' ' 12' ' ' HIS . 90.7 m-70 52.85 42.34 31.95 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 120.305 -1.497 . . . . 0.0 107.347 -177.833 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 79.4 p -61.3 155.94 19.98 Favored 'General case' 0 C--N 1.3 -1.565 0 CA-C-O 121.529 0.68 . . . . 0.0 110.701 -178.249 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 67.7 m-20 -72.55 159.93 33.11 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.226 -0.921 . . . . 0.0 109.454 -179.936 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 19' ' ' TRP . . . . . 0.515 ' NE1' ' NH1' ' B' ' 20' ' ' ARG . 19.8 p-90 -57.68 -28.99 64.28 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.098 -1.001 . . . . 0.0 109.402 179.616 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 20' ' ' ARG . . . . . 0.519 ' HG2' HH11 ' B' ' 20' ' ' ARG . 7.8 mtt-85 -62.49 -41.34 98.74 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.18 -0.95 . . . . 0.0 109.282 -179.466 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.7 -48.79 62.97 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.462 -0.774 . . . . 0.0 110.087 -179.483 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 79.3 mtm -60.97 -39.96 91.55 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.027 -1.045 . . . . 0.0 109.658 -179.753 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.503 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -60.01 -48.76 80.36 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.089 -1.007 . . . . 0.0 109.61 -179.94 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 44.9 m -69.73 -34.84 74.41 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.324 -0.86 . . . . 0.0 110.275 179.692 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -61.12 -39.91 91.8 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.939 -1.101 . . . . 0.0 110.471 -178.539 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -113.31 -1.12 14.34 Favored 'General case' 0 N--CA 1.502 2.172 0 O-C-N 121.186 -0.946 . . . . 0.0 109.804 -179.959 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 27' ' ' ASN . . . . . 0.503 ' N ' ' O ' ' B' ' 23' ' ' ALA . 49.2 t30 58.14 49.52 11.28 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.425 -0.797 . . . . 0.0 110.375 179.121 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 29.8 mt -114.08 149.76 42.47 Favored Pre-proline 0 N--CA 1.498 1.966 0 O-C-N 121.536 -0.728 . . . . 0.0 109.086 179.149 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_exo -49.36 145.54 15.55 Favored 'Trans proline' 0 N--CA 1.491 1.338 0 C-N-CA 121.281 1.32 . . . . 0.0 111.543 179.0 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -44.26 -37.41 10.14 Favored 'Trans proline' 0 C--N 1.313 -1.298 0 C-N-CA 121.783 1.655 . . . . 0.0 111.389 179.829 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.454 HG11 HD11 ' A' ' 5' ' ' ILE . 78.4 t -51.71 -47.68 38.55 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.83 0 O-C-N 121.554 -0.716 . . . . 0.0 110.065 -178.783 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 33.7 t -65.59 -48.84 81.21 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.762 0 C-N-CA 118.379 -1.328 . . . . 0.0 109.528 -179.457 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.81 -45.89 84.32 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.315 -0.866 . . . . 0.0 109.689 -179.879 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 7.8 mtmp? -62.54 -36.3 82.18 Favored 'General case' 0 N--CA 1.484 1.241 0 O-C-N 120.935 -1.103 . . . . 0.0 110.351 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 35' ' ' GLU . . . . . 0.436 ' OE2' ' NZ ' ' A' ' 34' ' ' LYS . 7.8 tm-20 -60.33 -37.79 81.7 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.013 -1.054 . . . . 0.0 109.522 -178.922 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 67.6 mt -59.76 -39.8 80.78 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.277 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 179.214 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 59.3 t -62.65 -38.02 80.51 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.385 0 O-C-N 121.139 -0.976 . . . . 0.0 108.474 179.514 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 38' ' ' ALA . . . . . 0.58 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -60.12 -35.35 75.06 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.308 -0.87 . . . . 0.0 109.15 179.318 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 48.8 m -75.55 -24.5 56.72 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.812 -1.18 . . . . 0.0 109.858 -179.741 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 40.5 t -82.86 106.48 14.73 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.024 -1.047 . . . . 0.0 109.837 -179.773 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 -61.41 -33.19 73.27 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.546 -0.721 . . . . 0.0 110.393 -179.974 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 25.1 mtpp -69.18 -44.92 71.21 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.973 -1.08 . . . . 0.0 110.985 -178.795 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 88.1 m -81.92 -32.17 31.01 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 120.64 -1.288 . . . . 0.0 110.038 -179.854 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 44' ' ' GLN . . . . . 0.58 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 5.8 tt0 . . . . . 0 N--CA 1.497 1.91 0 O-C-N 121.199 -0.938 . . . . 0.0 111.028 -178.626 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 1' ' ' PHE . . . . . 0.563 ' O ' HD12 ' A' ' 5' ' ' ILE . 72.4 m-85 . . . . . 0 N--CA 1.494 1.751 0 CA-C-O 121.313 0.578 . . . . 0.0 110.16 . . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 18.9 mt -70.38 -37.75 74.6 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.165 -0.959 . . . . 0.0 111.366 -178.377 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 83.1 m-20 -61.86 -51.63 67.41 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.065 -1.022 . . . . 0.0 111.511 -178.081 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.6 -45.73 82.32 Favored Glycine 0 N--CA 1.491 2.365 0 N-CA-C 109.367 -1.493 . . . . 0.0 109.367 -179.532 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.563 HD12 ' O ' ' A' ' 1' ' ' PHE . 87.9 mt -59.1 -38.34 73.53 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.621 0 O-C-N 121.317 -1.107 . . . . 0.0 110.386 -179.807 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 60.7 t0 -54.36 -46.8 73.07 Favored 'General case' 0 C--N 1.3 -1.585 0 C-N-CA 118.612 -1.235 . . . . 0.0 109.022 -179.131 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 58.3 mttm -70.0 -40.2 75.41 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.092 -1.005 . . . . 0.0 109.217 178.599 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.71 -38.86 87.6 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.607 -0.683 . . . . 0.0 109.574 179.628 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -57.38 -40.22 77.7 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.383 -0.823 . . . . 0.0 109.64 -179.083 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -62.25 -40.54 96.52 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 120.861 -1.149 . . . . 0.0 108.807 178.899 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 32.1 tp10 -59.96 -39.73 86.61 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.371 -0.83 . . . . 0.0 109.34 179.405 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.535 ' O ' ' N ' ' A' ' 16' ' ' HIS . 14.2 t60 -63.19 -46.7 85.86 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.172 -0.955 . . . . 0.0 109.834 179.854 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -61.14 -40.69 94.79 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.214 -0.929 . . . . 0.0 110.477 -179.198 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.4 mtpp -61.32 -36.6 80.59 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.628 -0.67 . . . . 0.0 112.435 -178.208 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -136.81 -1.33 2.24 Favored 'General case' 0 N--CA 1.509 2.525 0 O-C-N 121.015 -1.053 . . . . 0.0 112.452 -177.279 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.535 ' N ' ' O ' ' A' ' 12' ' ' HIS . 92.6 m-70 52.87 43.49 31.49 Favored 'General case' 0 N--CA 1.503 2.22 0 O-C-N 120.091 -1.63 . . . . 0.0 107.531 -177.462 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 76.6 p -63.66 160.22 17.37 Favored 'General case' 0 N--CA 1.495 1.811 0 CA-C-O 121.399 0.618 . . . . 0.0 110.905 -178.37 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -75.65 158.08 32.85 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.964 -1.085 . . . . 0.0 109.091 179.454 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 47.6 p-90 -57.54 -27.47 62.64 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.202 -0.936 . . . . 0.0 109.593 179.967 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.409 HH11 ' HG2' ' A' ' 20' ' ' ARG . 60.5 mtt-85 -63.11 -40.66 98.26 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.306 -0.871 . . . . 0.0 110.911 179.484 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.33 -50.39 53.65 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.315 -0.865 . . . . 0.0 109.337 -179.506 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 59.5 mtm -60.44 -39.87 89.08 Favored 'General case' 0 C--N 1.298 -1.633 0 C-N-CA 119.561 -0.856 . . . . 0.0 109.318 -179.958 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.458 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -57.71 -48.34 79.86 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 119.158 -1.017 . . . . 0.0 108.628 179.51 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 19.9 m -70.88 -35.34 72.31 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.215 -0.928 . . . . 0.0 109.897 179.676 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 56.8 t0 -58.86 -40.86 85.58 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.928 -1.108 . . . . 0.0 110.23 -178.859 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -112.41 0.94 15.77 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 121.218 -0.926 . . . . 0.0 110.511 -179.988 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.458 ' N ' ' O ' ' A' ' 23' ' ' ALA . 5.7 t-20 59.67 49.75 7.93 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.175 -0.953 . . . . 0.0 109.819 179.708 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 76.6 mt -117.0 152.43 48.71 Favored Pre-proline 0 N--CA 1.501 2.1 0 O-C-N 121.721 -0.612 . . . . 0.0 109.377 -179.666 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo -61.71 146.61 96.59 Favored 'Trans proline' 0 C--N 1.308 -1.598 0 C-N-CA 121.408 1.405 . . . . 0.0 111.84 -179.276 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.401 ' O ' ' CG ' ' A' ' 34' ' ' LYS . 34.1 Cg_exo -41.4 -36.46 2.79 Favored 'Trans proline' 0 C--N 1.316 -1.17 0 C-N-CA 122.258 1.972 . . . . 0.0 112.004 -179.803 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 87.5 t -53.57 -49.67 54.32 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.671 0 O-C-N 121.224 -0.922 . . . . 0.0 110.454 -178.525 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.445 HG13 HD11 ' A' ' 5' ' ' ILE . 60.0 t -66.14 -49.48 75.92 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.748 0 C-N-CA 118.841 -1.144 . . . . 0.0 109.31 -179.105 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.77 -41.09 92.46 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.138 -0.976 . . . . 0.0 110.257 179.738 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.401 ' CG ' ' O ' ' A' ' 30' ' ' PRO . 2.9 mmmm -62.65 -39.12 92.9 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 120.776 -1.202 . . . . 0.0 110.053 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.1 tm-20 -60.84 -38.61 86.08 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 120.999 -1.063 . . . . 0.0 110.091 -178.917 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 60.3 mt -58.98 -39.94 79.36 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.387 0 C-N-CA 119.079 -1.048 . . . . 0.0 108.903 -179.715 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 93.5 t -63.47 -40.06 87.64 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 120.809 -1.182 . . . . 0.0 108.933 179.107 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.06 -29.94 70.04 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.507 -0.746 . . . . 0.0 109.742 179.812 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 68.1 m -78.01 -26.22 48.39 Favored 'General case' 0 C--N 1.298 -1.668 0 O-C-N 121.097 -1.002 . . . . 0.0 109.718 -179.161 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 28.3 t -82.02 104.32 12.29 Favored 'General case' 0 N--CA 1.489 1.498 0 CA-C-O 121.754 0.788 . . . . 0.0 109.249 179.89 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -60.49 -30.31 69.62 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.87 -0.519 . . . . 0.0 110.543 -179.121 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 57.3 mttp -69.94 -40.33 75.55 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.278 -0.889 . . . . 0.0 110.768 -178.858 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 66.8 m -84.01 -24.67 30.44 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 120.66 -1.275 . . . . 0.0 109.643 179.916 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 . . . . . 0 N--CA 1.49 1.525 0 O-C-N 121.056 -1.027 . . . . 0.0 109.65 -179.496 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' B' B ' 1' ' ' PHE . . . . . 0.481 ' O ' HD12 ' B' ' 5' ' ' ILE . 68.6 m-85 . . . . . 0 N--CA 1.49 1.567 0 CA-C-O 121.484 0.659 . . . . 0.0 109.693 . . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 18.7 mt -69.88 -37.75 76.15 Favored 'General case' 0 C--N 1.299 -1.625 0 O-C-N 121.156 -0.965 . . . . 0.0 111.999 -178.192 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -61.88 -52.16 65.24 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 120.991 -1.068 . . . . 0.0 111.424 -177.785 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.18 -43.36 89.77 Favored Glycine 0 N--CA 1.495 2.579 0 N-CA-C 109.734 -1.347 . . . . 0.0 109.734 -179.334 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 5' ' ' ILE . . . . . 0.481 HD12 ' O ' ' B' ' 1' ' ' PHE . 92.3 mt -59.81 -38.53 76.53 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.427 -1.043 . . . . 0.0 109.211 179.512 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -53.45 -47.91 69.28 Favored 'General case' 0 C--N 1.303 -1.449 0 C-N-CA 118.665 -1.214 . . . . 0.0 108.96 -179.573 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 59.6 mttm -69.79 -41.32 75.23 Favored 'General case' 0 C--N 1.303 -1.437 0 C-N-CA 119.125 -1.03 . . . . 0.0 109.081 179.534 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.46 -37.52 85.31 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.417 -0.802 . . . . 0.0 109.549 179.662 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 9' ' ' GLN . . . . . 0.472 ' N ' ' O ' ' B' ' 5' ' ' ILE . 56.9 tt0 -57.61 -41.32 81.05 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.225 -0.922 . . . . 0.0 109.022 -178.567 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.38 -41.12 93.1 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 120.979 -1.076 . . . . 0.0 108.913 178.855 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 31.7 tp10 -60.1 -40.82 90.98 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.331 -0.856 . . . . 0.0 108.896 -179.699 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 12' ' ' HIS . . . . . 0.527 ' O ' ' N ' ' B' ' 16' ' ' HIS . 15.6 t60 -61.28 -47.32 86.54 Favored 'General case' 0 C--N 1.3 -1.552 0 C-N-CA 119.623 -0.831 . . . . 0.0 110.14 179.384 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -60.37 -41.75 94.39 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.329 -0.857 . . . . 0.0 110.18 -178.777 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 23.6 mtpp -60.79 -36.52 79.23 Favored 'General case' 0 N--CA 1.495 1.8 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 -178.337 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -136.96 -3.17 2.03 Favored 'General case' 0 N--CA 1.512 2.649 0 O-C-N 120.792 -1.193 . . . . 0.0 112.4 -177.446 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.527 ' N ' ' O ' ' B' ' 12' ' ' HIS . 91.6 m-70 55.88 42.02 29.35 Favored 'General case' 0 N--CA 1.502 2.174 0 N-CA-C 107.421 -1.325 . . . . 0.0 107.421 -178.201 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 81.7 p -63.26 158.67 19.59 Favored 'General case' 0 N--CA 1.491 1.576 0 CA-C-O 121.618 0.723 . . . . 0.0 110.935 -178.311 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 -74.08 157.41 36.11 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.066 -1.021 . . . . 0.0 109.115 179.624 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 50.5 p-90 -56.69 -27.04 58.12 Favored 'General case' 0 C--N 1.299 -1.604 0 C-N-CA 119.781 -0.768 . . . . 0.0 109.556 179.564 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 20' ' ' ARG . . . . . 0.407 HH11 ' HG2' ' B' ' 20' ' ' ARG . 58.2 mtt-85 -63.48 -40.05 96.06 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.29 -0.881 . . . . 0.0 110.983 179.509 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.15 -49.17 59.24 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.193 -0.942 . . . . 0.0 109.52 -179.004 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 61.0 mtm -61.04 -40.24 92.87 Favored 'General case' 0 C--N 1.3 -1.582 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 179.707 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.482 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -57.69 -49.59 76.02 Favored 'General case' 0 C--N 1.304 -1.391 0 C-N-CA 118.909 -1.116 . . . . 0.0 108.734 179.015 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 19.8 m -69.72 -34.15 73.47 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.689 -0.632 . . . . 0.0 109.971 179.326 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -60.68 -43.14 98.07 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.971 -1.081 . . . . 0.0 110.26 -179.591 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -110.78 1.83 18.0 Favored 'General case' 0 N--CA 1.503 2.197 0 O-C-N 120.974 -1.079 . . . . 0.0 110.523 -179.625 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 27' ' ' ASN . . . . . 0.482 ' N ' ' O ' ' B' ' 23' ' ' ALA . 6.9 t-20 58.09 51.24 8.95 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.923 -1.11 . . . . 0.0 109.528 179.051 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 78.4 mt -117.67 151.87 49.03 Favored Pre-proline 0 N--CA 1.501 2.106 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 -179.565 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_endo -60.59 146.16 97.54 Favored 'Trans proline' 0 N--CA 1.491 1.332 0 C-N-CA 121.595 1.53 . . . . 0.0 111.261 -179.833 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 30' ' ' PRO . . . . . 0.419 ' O ' ' CG ' ' B' ' 34' ' ' LYS . 31.5 Cg_exo -42.19 -34.95 3.11 Favored 'Trans proline' 0 N--CA 1.488 1.193 0 C-N-CA 122.235 1.957 . . . . 0.0 111.785 -179.735 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 92.9 t -53.46 -48.26 57.96 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.707 0 O-C-N 121.205 -0.934 . . . . 0.0 110.744 -178.385 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 32' ' ' VAL . . . . . 0.475 HG13 HD11 ' B' ' 5' ' ' ILE . 60.2 t -68.39 -47.45 77.57 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.693 0 C-N-CA 118.807 -1.157 . . . . 0.0 109.403 -178.906 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.11 -41.16 86.68 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.118 -0.988 . . . . 0.0 109.704 179.629 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.419 ' CG ' ' O ' ' B' ' 30' ' ' PRO . 2.7 mmmm -62.34 -39.39 92.93 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.361 -0.837 . . . . 0.0 109.932 179.774 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 7.7 tm-20 -60.61 -39.42 88.07 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.073 -1.017 . . . . 0.0 110.159 -178.658 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 57.8 mt -59.19 -39.54 78.94 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.754 0 O-C-N 120.611 -1.305 . . . . 0.0 109.27 179.941 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 91.4 t -63.6 -40.32 88.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 C-N-CA 118.911 -1.115 . . . . 0.0 108.833 179.555 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 38' ' ' ALA . . . . . 0.566 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -60.57 -30.23 69.67 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.482 -0.761 . . . . 0.0 109.551 179.403 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 49.6 m -78.57 -24.27 45.64 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 120.593 -1.317 . . . . 0.0 109.845 -179.742 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 28.5 t -81.88 104.4 12.23 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.003 -1.06 . . . . 0.0 108.768 179.222 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 -60.99 -31.1 70.71 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.566 -0.709 . . . . 0.0 110.313 -178.934 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 58.2 mttp -69.58 -40.89 76.44 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.251 -0.906 . . . . 0.0 110.643 -178.913 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 63.1 m -83.16 -23.26 33.01 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 120.586 -1.321 . . . . 0.0 109.437 179.772 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 44' ' ' GLN . . . . . 0.566 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 16.3 tt0 . . . . . 0 N--CA 1.491 1.579 0 O-C-N 120.96 -1.087 . . . . 0.0 109.846 -179.393 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 . . . . . 0 N--CA 1.493 1.684 0 CA-C-O 121.207 0.527 . . . . 0.0 110.223 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 19.8 mt -70.37 -40.5 73.96 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.371 -0.831 . . . . 0.0 110.819 -178.243 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -67.44 -46.37 73.33 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.77 -1.207 . . . . 0.0 110.677 -179.2 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.01 -49.7 45.78 Favored Glycine 0 N--CA 1.496 2.677 0 C-N-CA 120.049 -1.072 . . . . 0.0 110.433 -179.04 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 81.6 mt -58.58 -37.91 67.74 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.763 0 O-C-N 121.302 -1.117 . . . . 0.0 110.057 -179.648 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -54.65 -46.85 74.06 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 120.708 -1.245 . . . . 0.0 108.566 -179.5 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 46.9 mtpt -69.32 -45.38 69.62 Favored 'General case' 0 C--N 1.302 -1.482 0 C-N-CA 119.27 -0.972 . . . . 0.0 109.276 179.167 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.42 -36.87 85.56 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.429 -0.795 . . . . 0.0 109.761 -179.689 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -56.66 -41.29 76.97 Favored 'General case' 0 C--N 1.307 -1.239 0 C-N-CA 119.483 -0.887 . . . . 0.0 108.833 -179.573 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -61.59 -42.82 99.41 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 120.753 -1.217 . . . . 0.0 108.749 179.076 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 34.5 tp10 -61.06 -41.02 95.83 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.24 -0.912 . . . . 0.0 108.59 179.304 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.535 ' O ' ' N ' ' A' ' 16' ' ' HIS . 13.0 t60 -61.01 -48.03 83.7 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.231 -0.918 . . . . 0.0 110.259 179.913 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -59.73 -42.09 92.35 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.226 -0.921 . . . . 0.0 110.443 -178.858 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -61.85 -30.32 70.77 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.293 -0.88 . . . . 0.0 112.806 -178.79 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -139.48 -8.12 1.29 Allowed 'General case' 0 N--CA 1.509 2.495 0 O-C-N 120.54 -1.35 . . . . 0.0 112.244 -177.342 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.535 ' N ' ' O ' ' A' ' 12' ' ' HIS . 91.6 m-70 55.5 41.92 30.33 Favored 'General case' 0 N--CA 1.494 1.766 0 N-CA-C 107.349 -1.352 . . . . 0.0 107.349 -177.424 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 99.1 p -63.21 157.32 22.86 Favored 'General case' 0 C--N 1.305 -1.336 0 CA-C-O 121.426 0.632 . . . . 0.0 109.751 -179.338 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 74.3 m-20 -72.6 159.48 33.82 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.237 -0.914 . . . . 0.0 108.995 179.651 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 40.2 p-90 -57.81 -29.51 64.96 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.16 -0.963 . . . . 0.0 110.186 -179.593 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 81.7 mtm180 -63.46 -40.77 98.0 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.004 -1.06 . . . . 0.0 110.512 -179.857 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.03 -46.94 66.68 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 120.98 -1.075 . . . . 0.0 109.463 -179.113 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 76.9 mtm -61.66 -40.53 95.26 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.429 -0.794 . . . . 0.0 109.68 179.251 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.475 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -58.58 -46.27 87.3 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.175 -0.953 . . . . 0.0 108.968 -179.673 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 67.9 m -70.32 -35.65 73.78 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.28 -0.887 . . . . 0.0 109.414 178.881 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 52.0 t0 -61.02 -40.78 94.86 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.343 -0.848 . . . . 0.0 110.112 -179.413 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -107.95 -0.6 21.29 Favored 'General case' 0 N--CA 1.504 2.24 0 O-C-N 121.467 -0.77 . . . . 0.0 110.626 -179.9 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.475 ' N ' ' O ' ' A' ' 23' ' ' ALA . 10.3 t-20 57.74 45.75 18.33 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.361 -0.837 . . . . 0.0 109.615 -179.848 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 46.9 mt -115.95 151.32 46.35 Favored Pre-proline 0 N--CA 1.504 2.242 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 179.685 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -61.53 151.49 79.6 Favored 'Trans proline' 0 N--CA 1.493 1.47 0 C-N-CA 121.902 1.735 . . . . 0.0 111.77 -179.383 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_exo -43.82 -34.84 6.29 Favored 'Trans proline' 0 C--N 1.315 -1.219 0 C-N-CA 122.059 1.839 . . . . 0.0 111.642 179.896 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 71.8 t -52.03 -49.83 37.25 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.775 0 O-C-N 121.376 -0.827 . . . . 0.0 110.425 -178.328 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 88.9 t -68.81 -49.31 65.06 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.623 0 C-N-CA 118.896 -1.122 . . . . 0.0 109.782 -179.283 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.44 -43.42 94.36 Favored 'General case' 0 C--N 1.3 -1.568 0 C-N-CA 119.614 -0.835 . . . . 0.0 110.237 -179.791 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 26.4 mtpp -61.71 -36.33 80.63 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 120.701 -1.25 . . . . 0.0 110.238 179.963 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.3 tm-20 -62.34 -38.64 90.28 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.051 -1.031 . . . . 0.0 110.24 -178.726 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 21.1 mt -60.63 -40.64 85.29 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.129 -0.982 . . . . 0.0 109.043 179.948 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 98.7 t -62.73 -39.0 83.13 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.452 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 179.261 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.16 -33.82 72.72 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.821 -0.549 . . . . 0.0 109.663 179.748 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 20.2 m -78.04 -25.41 47.78 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.053 -1.029 . . . . 0.0 109.456 -179.499 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 47.0 t -82.15 99.96 9.54 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.1 -1.0 . . . . 0.0 109.137 179.835 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -60.46 -29.81 69.27 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.34 -0.85 . . . . 0.0 109.976 -179.778 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 52.6 mtpt -69.1 -39.21 79.13 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.141 -0.974 . . . . 0.0 110.545 -178.926 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 59.9 m -84.95 -22.05 29.35 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.736 -1.227 . . . . 0.0 108.984 179.298 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 . . . . . 0 N--CA 1.497 1.893 0 O-C-N 121.211 -0.931 . . . . 0.0 109.009 -179.839 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 . . . . . 0 N--CA 1.492 1.641 0 CA-C-O 121.424 0.63 . . . . 0.0 110.103 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 22.1 mt -70.88 -41.21 71.64 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.306 -0.871 . . . . 0.0 110.784 -178.144 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 53.5 t0 -67.51 -45.98 74.22 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.747 -1.221 . . . . 0.0 110.408 -179.149 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.8 -50.08 44.43 Favored Glycine 0 N--CA 1.494 2.504 0 C-N-CA 119.993 -1.098 . . . . 0.0 110.653 -179.336 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 83.4 mt -58.67 -38.07 69.35 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.568 0 O-C-N 121.254 -1.144 . . . . 0.0 109.771 -179.6 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 62.5 t0 -54.46 -47.12 73.31 Favored 'General case' 0 C--N 1.302 -1.459 0 C-N-CA 118.563 -1.255 . . . . 0.0 108.921 -179.531 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 47.1 mtpt -69.54 -44.37 71.07 Favored 'General case' 0 N--CA 1.487 1.425 0 C-N-CA 119.309 -0.956 . . . . 0.0 109.291 178.93 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.61 -37.83 88.91 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.154 -0.966 . . . . 0.0 109.611 -179.816 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -56.28 -40.99 75.17 Favored 'General case' 0 N--CA 1.484 1.249 0 O-C-N 121.264 -0.897 . . . . 0.0 109.16 -179.581 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -61.45 -43.12 99.43 Favored 'General case' 0 C--N 1.3 -1.555 0 C-N-CA 118.592 -1.243 . . . . 0.0 108.605 178.624 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 33.4 tp10 -60.73 -41.98 96.41 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.224 -0.923 . . . . 0.0 108.917 179.288 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 12' ' ' HIS . . . . . 0.541 ' O ' ' N ' ' B' ' 16' ' ' HIS . 12.5 t60 -60.74 -47.27 87.04 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.332 -0.855 . . . . 0.0 110.281 179.899 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -60.48 -41.1 93.55 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.015 -1.053 . . . . 0.0 110.508 -178.988 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -62.71 -29.81 70.94 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.512 -0.742 . . . . 0.0 112.7 -178.679 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -139.81 -8.21 1.23 Allowed 'General case' 0 N--CA 1.509 2.489 0 O-C-N 120.669 -1.27 . . . . 0.0 112.143 -177.133 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.541 ' N ' ' O ' ' B' ' 12' ' ' HIS . 90.8 m-70 55.67 42.75 29.06 Favored 'General case' 0 N--CA 1.492 1.642 0 N-CA-C 107.229 -1.397 . . . . 0.0 107.229 -177.851 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 93.6 p -64.56 156.46 29.8 Favored 'General case' 0 C--N 1.304 -1.393 0 CA-C-O 121.393 0.616 . . . . 0.0 109.832 -179.101 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 69.7 m-20 -72.01 158.85 35.22 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.029 -1.044 . . . . 0.0 108.817 179.653 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 40.9 p-90 -57.58 -29.1 64.18 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.239 -0.913 . . . . 0.0 110.257 -179.62 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 82.2 mtm180 -64.05 -40.56 96.57 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 120.925 -1.109 . . . . 0.0 110.477 -179.905 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.88 -46.12 69.23 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 120.856 -1.153 . . . . 0.0 109.496 -179.538 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 77.2 mtm -63.09 -39.76 95.65 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.88 -1.137 . . . . 0.0 109.792 179.58 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.479 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -58.59 -46.28 87.29 Favored 'General case' 0 N--CA 1.491 1.618 0 C-N-CA 119.432 -0.907 . . . . 0.0 108.639 -179.862 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 67.9 m -69.99 -36.87 75.49 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.232 -0.918 . . . . 0.0 109.394 179.365 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 51.1 t0 -60.03 -41.2 91.72 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.449 -0.782 . . . . 0.0 110.346 -179.438 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -107.88 -0.31 21.58 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.266 -0.896 . . . . 0.0 110.168 -179.676 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 27' ' ' ASN . . . . . 0.479 ' N ' ' O ' ' B' ' 23' ' ' ALA . 10.4 t-20 57.96 44.83 19.07 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.269 -0.895 . . . . 0.0 109.456 179.917 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 49.9 mt -114.95 151.45 45.54 Favored Pre-proline 0 N--CA 1.498 1.938 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 179.5 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_endo -61.55 150.45 85.3 Favored 'Trans proline' 0 N--CA 1.495 1.601 0 C-N-CA 121.936 1.757 . . . . 0.0 112.031 -179.531 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 27.2 Cg_exo -42.93 -34.61 3.87 Favored 'Trans proline' 0 C--N 1.312 -1.379 0 C-N-CA 122.023 1.815 . . . . 0.0 111.6 179.685 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 75.8 t -52.9 -49.85 46.36 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.563 0 O-C-N 121.334 -0.854 . . . . 0.0 110.335 -178.572 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 61.5 t -68.6 -49.57 63.86 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.813 0 C-N-CA 118.506 -1.278 . . . . 0.0 109.811 -179.204 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.45 -43.23 94.94 Favored 'General case' 0 C--N 1.304 -1.375 0 C-N-CA 119.593 -0.843 . . . . 0.0 110.24 -179.752 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -61.67 -36.82 81.94 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.614 -1.304 . . . . 0.0 110.258 179.836 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.4 tm-20 -61.3 -39.07 89.1 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 120.947 -1.096 . . . . 0.0 110.452 -178.61 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 22.4 mt -60.42 -40.73 85.01 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.224 -0.923 . . . . 0.0 109.072 -179.971 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 94.7 t -62.2 -39.44 83.99 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.395 0 N-CA-C 108.431 -0.951 . . . . 0.0 108.431 179.471 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.16 -33.48 72.24 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.717 -0.614 . . . . 0.0 109.71 179.739 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 22.2 m -77.88 -24.77 48.38 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.383 -0.823 . . . . 0.0 109.505 -179.835 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 46.2 t -83.58 99.53 10.23 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.367 -0.833 . . . . 0.0 109.089 179.846 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 92.7 m-20 -60.1 -29.95 68.93 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.126 -0.984 . . . . 0.0 109.873 -179.834 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 50.6 mtpt -68.71 -38.65 80.4 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.196 -0.94 . . . . 0.0 110.578 -178.803 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 58.9 m -85.74 -21.01 28.44 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 120.672 -1.268 . . . . 0.0 109.231 179.349 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 . . . . . 0 N--CA 1.492 1.653 0 O-C-N 121.273 -0.892 . . . . 0.0 108.897 -179.719 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 1' ' ' PHE . . . . . 0.505 ' CE2' ' CE2' ' B' ' 1' ' ' PHE . 34.1 m-85 . . . . . 0 N--CA 1.495 1.786 0 CA-C-O 121.676 0.75 . . . . 0.0 109.816 . . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 44.3 mt -66.7 -36.55 82.76 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.354 -0.841 . . . . 0.0 111.423 -177.918 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 53.7 t0 -61.62 -48.54 80.41 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.958 -1.089 . . . . 0.0 109.861 -179.059 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.3 -43.17 80.45 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 110.046 -1.221 . . . . 0.0 110.046 -179.655 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 74.6 mt -61.48 -39.99 84.85 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.739 0 O-C-N 121.508 -0.995 . . . . 0.0 110.378 -179.546 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -57.88 -47.18 83.52 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 120.96 -1.087 . . . . 0.0 109.601 -179.132 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -69.01 -39.89 79.03 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.133 -0.979 . . . . 0.0 109.226 179.338 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.38 -39.3 85.62 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.686 -0.634 . . . . 0.0 109.953 179.954 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 10.9 tm0? -56.37 -40.85 75.22 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 119.278 -0.969 . . . . 0.0 109.248 -179.65 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -61.45 -42.29 98.53 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.953 -1.092 . . . . 0.0 109.001 179.43 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.0 tp10 -60.69 -40.3 91.69 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 179.598 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.572 ' O ' ' N ' ' A' ' 16' ' ' HIS . 14.2 t60 -60.78 -47.71 85.09 Favored 'General case' 0 N--CA 1.486 1.371 0 O-C-N 121.527 -0.733 . . . . 0.0 110.227 179.528 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -60.4 -40.79 92.24 Favored 'General case' 0 C--N 1.294 -1.815 0 O-C-N 121.047 -1.033 . . . . 0.0 110.057 -178.684 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 51.5 mtpt -62.86 -33.63 75.67 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.761 -0.587 . . . . 0.0 112.549 -177.995 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -138.94 -2.18 1.72 Allowed 'General case' 0 N--CA 1.509 2.476 0 O-C-N 120.953 -1.092 . . . . 0.0 112.241 -177.463 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.572 ' N ' ' O ' ' A' ' 12' ' ' HIS . 91.0 m-70 52.56 42.16 31.32 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 120.183 -1.573 . . . . 0.0 107.816 -177.598 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 89.8 p -62.41 159.35 15.62 Favored 'General case' 0 C--N 1.298 -1.646 0 C-N-CA 119.834 -0.746 . . . . 0.0 110.365 -178.572 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 22.9 m120 -75.02 158.21 33.59 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.61 -0.681 . . . . 0.0 109.532 179.664 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 36.1 p-90 -57.18 -30.04 64.17 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.003 -1.06 . . . . 0.0 110.098 -179.762 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -63.64 -39.85 95.37 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.512 -1.367 . . . . 0.0 109.255 179.43 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.67 -50.16 53.28 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.375 -0.828 . . . . 0.0 109.619 -179.863 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 78.0 mtm -60.38 -39.87 88.8 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.11 -0.994 . . . . 0.0 109.485 -179.843 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.5 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -60.39 -44.45 95.66 Favored 'General case' 0 N--CA 1.489 1.507 0 C-N-CA 119.293 -0.963 . . . . 0.0 109.182 -179.673 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 31.0 m -70.08 -38.45 75.72 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.506 -0.746 . . . . 0.0 110.222 -179.694 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -59.5 -40.24 86.42 Favored 'General case' 0 C--N 1.297 -1.692 0 C-N-CA 119.306 -0.958 . . . . 0.0 110.333 -177.972 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -110.87 -3.22 15.76 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.512 -0.742 . . . . 0.0 110.326 -179.132 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.5 ' N ' ' O ' ' A' ' 23' ' ' ALA . 59.1 t30 58.87 49.13 10.21 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.557 -0.714 . . . . 0.0 110.145 179.389 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 46.8 mt -112.91 146.31 34.84 Favored Pre-proline 0 N--CA 1.505 2.286 0 O-C-N 121.101 -0.999 . . . . 0.0 109.003 179.561 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -46.04 147.14 3.75 Favored 'Trans proline' 0 N--CA 1.489 1.239 0 C-N-CA 120.951 1.101 . . . . 0.0 111.466 179.082 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -44.36 -40.2 12.95 Favored 'Trans proline' 0 C--N 1.314 -1.253 0 C-N-CA 121.954 1.77 . . . . 0.0 111.842 178.585 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.452 HG21 ' CD1' ' B' ' 5' ' ' ILE . 57.8 t -51.8 -46.54 39.82 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 121.4 -0.813 . . . . 0.0 110.361 -178.572 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 45.4 t -65.16 -50.29 74.77 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.885 0 C-N-CA 117.886 -1.525 . . . . 0.0 108.543 -178.737 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.49 -46.9 84.0 Favored 'General case' 0 C--N 1.3 -1.55 0 C-N-CA 120.07 -0.652 . . . . 0.0 110.307 179.545 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 41.3 mtmt -60.84 -36.62 79.58 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.007 -1.058 . . . . 0.0 110.182 179.919 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.7 tm-20 -60.48 -37.18 80.21 Favored 'General case' 0 C--N 1.305 -1.355 0 C-N-CA 119.242 -0.983 . . . . 0.0 108.89 -179.27 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 68.0 mt -59.77 -40.76 83.39 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.491 0 O-C-N 121.166 -0.959 . . . . 0.0 108.832 178.851 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 92.0 t -62.17 -39.66 84.75 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.465 0 O-C-N 121.041 -1.037 . . . . 0.0 108.517 179.317 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.18 -32.11 69.62 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.43 -0.793 . . . . 0.0 109.257 179.67 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 30.7 m -77.8 -30.1 51.08 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.99 -1.069 . . . . 0.0 110.026 -179.486 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 43.1 t -83.11 104.1 13.04 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.454 -0.778 . . . . 0.0 109.764 179.709 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 84.4 m-20 -61.61 -30.4 70.67 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.352 -0.843 . . . . 0.0 110.823 -179.699 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 64.4 mttp -68.9 -40.25 79.24 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.968 -1.083 . . . . 0.0 110.506 -178.656 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 90.7 m -88.02 -21.01 25.03 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 120.737 -1.227 . . . . 0.0 110.105 -179.918 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 . . . . . 0 C--N 1.298 -1.668 0 C-N-CA 119.531 -0.867 . . . . 0.0 109.695 -178.285 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' B' B ' 1' ' ' PHE . . . . . 0.505 ' CE2' ' CE2' ' A' ' 1' ' ' PHE . 33.4 m-85 . . . . . 0 N--CA 1.492 1.663 0 CA-C-O 121.533 0.682 . . . . 0.0 109.664 . . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 33.1 mt -66.07 -36.53 83.47 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.3 -0.875 . . . . 0.0 111.114 -178.458 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 53.5 t0 -61.5 -47.61 84.83 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 120.945 -1.097 . . . . 0.0 109.921 -178.768 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.96 -43.46 65.39 Favored Glycine 0 N--CA 1.492 2.426 0 N-CA-C 109.974 -1.251 . . . . 0.0 109.974 -179.56 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 5' ' ' ILE . . . . . 0.452 ' CD1' HG21 ' A' ' 31' ' ' VAL . 74.0 mt -61.62 -40.14 85.6 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.407 -1.055 . . . . 0.0 110.515 -179.537 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -56.96 -48.65 77.84 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.061 -1.025 . . . . 0.0 109.303 -179.166 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -69.33 -39.7 78.03 Favored 'General case' 0 C--N 1.296 -1.721 0 C-N-CA 119.145 -1.022 . . . . 0.0 109.516 179.118 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.9 -38.49 86.36 Favored 'General case' 0 C--N 1.3 -1.571 0 C-N-CA 119.497 -0.881 . . . . 0.0 109.73 179.981 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 11.6 tm0? -56.87 -41.09 77.37 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.249 -0.907 . . . . 0.0 110.063 -179.608 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -61.16 -42.75 99.11 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.889 -1.132 . . . . 0.0 109.017 179.245 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 40.0 tp10 -59.88 -40.08 87.48 Favored 'General case' 0 C--N 1.303 -1.427 0 N-CA-C 108.307 -0.998 . . . . 0.0 108.307 179.517 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 12' ' ' HIS . . . . . 0.607 ' O ' ' N ' ' B' ' 16' ' ' HIS . 14.0 t60 -61.03 -47.99 83.83 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.501 -0.749 . . . . 0.0 110.105 179.192 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -60.32 -40.8 91.9 Favored 'General case' 0 C--N 1.297 -1.691 0 O-C-N 121.249 -0.907 . . . . 0.0 109.817 -178.798 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 52.9 mtpt -62.36 -32.86 73.71 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.537 -0.727 . . . . 0.0 112.84 -178.426 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -140.48 -0.13 1.61 Allowed 'General case' 0 N--CA 1.508 2.433 0 O-C-N 120.59 -1.319 . . . . 0.0 111.915 -177.865 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.607 ' N ' ' O ' ' B' ' 12' ' ' HIS . 90.8 m-70 51.78 42.57 30.03 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.431 -1.418 . . . . 0.0 107.935 -177.764 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 81.0 p -62.58 157.47 20.5 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 121.432 -0.792 . . . . 0.0 110.656 -178.655 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 20.6 m120 -73.99 156.71 37.27 Favored 'General case' 0 N--CA 1.493 1.714 0 CA-C-O 121.225 0.536 . . . . 0.0 109.915 -179.888 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 35.7 p-90 -55.51 -31.24 61.88 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.087 -1.008 . . . . 0.0 110.518 -179.511 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -63.18 -39.7 95.39 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 120.733 -1.229 . . . . 0.0 109.595 179.278 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.73 -49.47 58.51 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.44 -0.787 . . . . 0.0 109.48 -179.745 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 77.3 mtm -61.38 -40.18 93.39 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.407 -0.808 . . . . 0.0 110.167 179.689 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.492 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -60.42 -43.51 96.67 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.132 -0.98 . . . . 0.0 109.286 179.952 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 25.0 m -70.25 -37.44 74.94 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.444 -0.785 . . . . 0.0 110.562 -179.497 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -61.57 -39.74 92.22 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.27 -0.894 . . . . 0.0 110.537 -178.666 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -110.61 -3.07 16.1 Favored 'General case' 0 N--CA 1.502 2.17 0 O-C-N 121.387 -0.82 . . . . 0.0 110.188 -179.391 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 27' ' ' ASN . . . . . 0.492 ' N ' ' O ' ' B' ' 23' ' ' ALA . 58.1 t30 58.32 48.83 11.88 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.4 -0.812 . . . . 0.0 110.222 179.447 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 57.5 mt -112.57 144.19 30.44 Favored Pre-proline 0 N--CA 1.502 2.159 0 O-C-N 121.158 -0.964 . . . . 0.0 109.358 -179.713 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_exo -45.02 145.17 3.26 Favored 'Trans proline' 0 N--CA 1.49 1.288 0 C-N-CA 121.589 1.526 . . . . 0.0 111.546 179.184 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -42.73 -40.7 8.11 Favored 'Trans proline' 0 C--N 1.31 -1.498 0 C-N-CA 121.671 1.581 . . . . 0.0 111.588 179.433 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 60.9 t -51.25 -47.27 33.62 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.779 0 O-C-N 121.543 -0.723 . . . . 0.0 110.384 -178.268 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 48.2 t -65.11 -49.61 78.44 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.885 0 C-N-CA 118.233 -1.387 . . . . 0.0 109.143 -179.003 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.98 -46.92 82.44 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.347 -0.846 . . . . 0.0 109.683 179.794 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 39.9 mtmt -60.74 -36.78 79.73 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.286 -0.884 . . . . 0.0 109.953 -179.77 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 14.6 tm-20 -60.41 -37.51 81.07 Favored 'General case' 0 C--N 1.305 -1.334 0 O-C-N 120.953 -1.092 . . . . 0.0 109.004 -178.911 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 76.8 mt -59.6 -38.7 76.85 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.483 0 O-C-N 121.061 -1.024 . . . . 0.0 108.835 178.818 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 87.0 t -63.29 -39.36 84.99 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.455 0 O-C-N 121.129 -0.982 . . . . 0.0 108.652 179.055 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 38' ' ' ALA . . . . . 0.553 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -59.6 -31.81 69.82 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 -179.827 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 45.3 m -78.09 -30.58 49.66 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 119.848 -0.741 . . . . 0.0 110.179 -179.443 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 43.0 t -83.2 105.08 13.88 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.2 -0.937 . . . . 0.0 109.123 -179.978 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -62.04 -30.14 70.77 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.121 -0.987 . . . . 0.0 110.48 -179.405 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -68.28 -39.9 81.97 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.11 -0.994 . . . . 0.0 111.012 -178.773 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 96.4 m -88.63 -20.89 24.35 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.904 -1.122 . . . . 0.0 109.771 -179.82 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 44' ' ' GLN . . . . . 0.553 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 7.2 tt0 . . . . . 0 N--CA 1.491 1.604 0 O-C-N 121.358 -0.839 . . . . 0.0 109.897 -178.815 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 . . . . . 0 N--CA 1.494 1.738 0 CA-C-O 121.508 0.671 . . . . 0.0 110.322 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 41.9 mt -71.35 -39.22 71.43 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.147 -0.971 . . . . 0.0 110.668 -178.774 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -66.04 -39.77 90.44 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.019 -1.051 . . . . 0.0 111.227 -178.869 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.11 -49.7 15.28 Favored Glycine 0 N--CA 1.495 2.595 0 N-CA-C 109.97 -1.252 . . . . 0.0 109.97 -179.454 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.526 ' O ' ' N ' ' A' ' 9' ' ' GLN . 84.7 mt -59.89 -40.08 81.81 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.653 0 O-C-N 121.151 -1.205 . . . . 0.0 109.79 -179.738 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -53.02 -47.72 68.13 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 120.781 -1.199 . . . . 0.0 109.359 -178.902 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -69.75 -43.95 71.22 Favored 'General case' 0 C--N 1.302 -1.485 0 C-N-CA 119.038 -1.065 . . . . 0.0 109.236 178.624 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.71 -32.38 73.64 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.0 -1.063 . . . . 0.0 109.985 179.973 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.526 ' N ' ' O ' ' A' ' 5' ' ' ILE . 60.5 tt0 -59.44 -41.11 88.86 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.229 -0.919 . . . . 0.0 109.797 -179.554 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -61.94 -41.72 98.29 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 179.702 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.7 tm-20 -60.94 -40.71 94.31 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 178.745 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.575 ' O ' ' N ' ' A' ' 16' ' ' HIS . 12.8 t60 -63.38 -47.3 82.62 Favored 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 119.325 -0.95 . . . . 0.0 109.856 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -59.94 -41.66 92.3 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.084 -1.01 . . . . 0.0 110.497 -178.842 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.7 mtpp -63.19 -33.63 75.89 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.539 -0.726 . . . . 0.0 112.46 -178.402 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -136.31 -7.64 2.01 Favored 'General case' 0 N--CA 1.508 2.443 0 O-C-N 120.863 -1.148 . . . . 0.0 112.482 -176.864 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.575 ' N ' ' O ' ' A' ' 12' ' ' HIS . 95.7 m-70 55.82 43.93 26.86 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 107.163 -1.421 . . . . 0.0 107.163 -177.74 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 97.8 p -64.21 159.85 19.81 Favored 'General case' 0 C--N 1.303 -1.425 0 CA-C-O 121.576 0.703 . . . . 0.0 110.043 -178.828 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -74.03 160.56 31.13 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 -179.989 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 33.2 p-90 -59.54 -30.33 68.53 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.886 -1.134 . . . . 0.0 110.19 -179.305 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -63.83 -42.15 97.7 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.001 -1.062 . . . . 0.0 110.416 -179.935 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.56 -49.02 70.39 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.204 -0.935 . . . . 0.0 109.722 -179.498 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 76.8 mtm -60.44 -39.96 89.38 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.163 -0.96 . . . . 0.0 109.437 179.863 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.469 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -57.67 -45.33 85.73 Favored 'General case' 0 C--N 1.299 -1.625 0 C-N-CA 119.633 -0.827 . . . . 0.0 109.517 -179.872 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 21.6 t -70.77 -37.85 73.41 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.399 -0.813 . . . . 0.0 109.74 179.738 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -60.65 -41.93 95.95 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.596 -0.69 . . . . 0.0 110.695 -179.45 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -108.51 -0.34 20.47 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.552 -0.717 . . . . 0.0 110.008 -179.455 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.469 ' N ' ' O ' ' A' ' 23' ' ' ALA . 11.3 t-20 56.79 51.39 10.94 Favored 'General case' 0 C--N 1.301 -1.539 0 C-N-CA 119.634 -0.826 . . . . 0.0 109.536 -179.768 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 66.1 mt -121.17 150.49 53.88 Favored Pre-proline 0 N--CA 1.509 2.495 0 O-C-N 121.085 -1.009 . . . . 0.0 108.885 -179.915 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_endo -59.33 148.86 84.51 Favored 'Trans proline' 0 C--N 1.313 -1.311 0 C-N-CA 121.465 1.443 . . . . 0.0 111.646 -179.75 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 27.2 Cg_exo -42.08 -31.71 1.66 Allowed 'Trans proline' 0 C--N 1.31 -1.466 0 C-N-CA 121.952 1.768 . . . . 0.0 110.9 178.972 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 42.8 t -52.76 -52.64 26.08 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.618 0 O-C-N 121.334 -0.854 . . . . 0.0 110.834 -178.234 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 99.3 t -68.27 -49.12 69.72 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.962 0 C-N-CA 118.435 -1.306 . . . . 0.0 109.559 -178.97 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.6 -44.34 94.29 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.243 -0.911 . . . . 0.0 110.611 -179.716 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -61.07 -36.14 78.84 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.832 -1.168 . . . . 0.0 110.457 -179.609 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.6 tm-20 -60.98 -39.47 89.76 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.712 -1.242 . . . . 0.0 110.188 -179.347 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 12.8 mt -60.21 -40.23 83.0 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.453 0 O-C-N 120.915 -1.116 . . . . 0.0 108.976 -179.922 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 74.9 t -62.64 -40.08 87.07 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.621 0 O-C-N 121.303 -0.873 . . . . 0.0 108.878 179.455 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.82 -32.46 70.67 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.394 -0.816 . . . . 0.0 111.222 -179.512 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 41.0 m -80.5 -23.43 40.12 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.967 -1.083 . . . . 0.0 110.417 -178.952 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 41.6 t -86.26 108.01 18.2 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.093 -1.004 . . . . 0.0 110.783 -179.407 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 -63.52 -28.23 69.81 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.456 -0.777 . . . . 0.0 109.43 179.066 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 62.1 mttp -74.88 9.92 1.67 Allowed 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.475 -0.765 . . . . 0.0 109.837 -179.443 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 78.3 m -147.7 -32.4 0.28 Allowed 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.35 -0.844 . . . . 0.0 109.579 -179.981 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 . . . . . 0 N--CA 1.494 1.769 0 O-C-N 121.033 -1.042 . . . . 0.0 109.721 179.785 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 . . . . . 0 N--CA 1.492 1.668 0 CA-C-O 121.628 0.727 . . . . 0.0 110.254 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 46.4 mt -68.66 -39.59 80.59 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.209 -0.932 . . . . 0.0 110.468 -178.075 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -64.24 -40.14 95.41 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.349 -0.844 . . . . 0.0 111.144 -179.272 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.29 -50.46 12.25 Favored Glycine 0 N--CA 1.494 2.535 0 N-CA-C 109.926 -1.27 . . . . 0.0 109.926 -179.533 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 5' ' ' ILE . . . . . 0.519 ' O ' ' N ' ' B' ' 9' ' ' GLN . 87.9 mt -59.6 -39.65 80.04 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.605 0 O-C-N 121.529 -0.983 . . . . 0.0 110.36 -179.444 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -53.26 -49.03 67.74 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 120.876 -1.14 . . . . 0.0 109.419 -179.781 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 61.2 mttp -69.08 -44.91 71.6 Favored 'General case' 0 C--N 1.3 -1.562 0 C-N-CA 119.06 -1.056 . . . . 0.0 109.497 179.244 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.75 -32.8 74.55 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.195 -0.94 . . . . 0.0 110.096 179.99 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 9' ' ' GLN . . . . . 0.519 ' N ' ' O ' ' B' ' 5' ' ' ILE . 61.0 tt0 -59.28 -41.46 88.95 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 121.388 -0.82 . . . . 0.0 109.722 -179.56 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -61.17 -42.64 98.93 Favored 'General case' 0 C--N 1.302 -1.463 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 179.91 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 11.4 tm-20 -60.16 -40.83 91.26 Favored 'General case' 0 N--CA 1.487 1.414 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 178.783 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 12' ' ' HIS . . . . . 0.553 ' O ' ' N ' ' B' ' 16' ' ' HIS . 14.5 t60 -63.49 -47.29 82.37 Favored 'General case' 0 C--N 1.305 -1.338 0 O-C-N 121.283 -0.886 . . . . 0.0 109.976 179.762 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -59.93 -42.03 93.06 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.995 -1.066 . . . . 0.0 110.151 -178.765 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 24.2 mtpp -62.23 -34.52 76.67 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.588 -0.695 . . . . 0.0 112.604 -178.855 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -135.59 -8.88 2.17 Favored 'General case' 0 N--CA 1.514 2.733 0 O-C-N 120.776 -1.203 . . . . 0.0 112.712 -177.1 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.553 ' N ' ' O ' ' B' ' 12' ' ' HIS . 95.3 m-70 57.26 43.03 24.3 Favored 'General case' 0 N--CA 1.496 1.859 0 N-CA-C 107.356 -1.35 . . . . 0.0 107.356 -177.785 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 85.7 p -64.58 159.8 20.99 Favored 'General case' 0 C--N 1.306 -1.301 0 O-C-N 121.572 -0.705 . . . . 0.0 110.495 -178.917 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 -73.69 160.73 31.14 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 179.368 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 34.9 p-90 -59.22 -31.55 69.16 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.993 -1.067 . . . . 0.0 110.257 -179.276 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -62.61 -40.47 97.07 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.17 -0.956 . . . . 0.0 110.413 179.868 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.85 -48.8 65.11 Favored 'General case' 0 C--N 1.298 -1.672 0 O-C-N 121.219 -0.926 . . . . 0.0 110.15 -179.075 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 77.0 mtm -61.15 -39.78 91.36 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.099 -1.0 . . . . 0.0 109.12 179.402 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.527 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -56.44 -46.87 80.1 Favored 'General case' 0 C--N 1.299 -1.622 0 C-N-CA 119.476 -0.89 . . . . 0.0 109.446 -179.602 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 23.3 t -69.92 -39.05 76.39 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.558 -0.714 . . . . 0.0 109.784 179.796 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -59.57 -39.2 83.3 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.547 -0.721 . . . . 0.0 110.403 -179.124 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -111.94 -0.36 15.81 Favored 'General case' 0 N--CA 1.504 2.253 0 O-C-N 121.446 -0.784 . . . . 0.0 110.038 179.796 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 27' ' ' ASN . . . . . 0.527 ' N ' ' O ' ' B' ' 23' ' ' ALA . 12.9 t-20 56.5 50.27 13.28 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.441 -0.787 . . . . 0.0 110.183 179.861 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 70.9 mt -118.77 150.37 48.27 Favored Pre-proline 0 N--CA 1.505 2.29 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 179.831 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_endo -59.82 148.72 87.18 Favored 'Trans proline' 0 N--CA 1.487 1.11 0 C-N-CA 121.381 1.388 . . . . 0.0 111.424 -179.918 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -43.67 -30.32 2.74 Favored 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 121.501 1.467 . . . . 0.0 111.226 179.768 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 37.3 t -52.52 -52.59 25.18 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.609 0 O-C-N 121.301 -0.875 . . . . 0.0 110.397 -178.678 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 97.6 t -67.95 -50.06 62.84 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.797 0 C-N-CA 118.857 -1.137 . . . . 0.0 109.869 -178.568 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.75 -44.92 94.95 Favored 'General case' 0 C--N 1.297 -1.698 0 O-C-N 121.264 -0.897 . . . . 0.0 110.473 -179.951 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 52.3 mtpt -60.69 -36.79 79.67 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 120.914 -1.116 . . . . 0.0 110.395 -179.826 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -61.05 -39.46 89.93 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.933 -1.104 . . . . 0.0 110.145 -179.76 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 13.5 mt -59.97 -40.66 83.65 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 120.976 -1.078 . . . . 0.0 109.003 179.783 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 78.5 t -63.38 -37.62 80.0 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 O-C-N 121.283 -0.886 . . . . 0.0 109.18 179.329 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.62 -32.0 72.11 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.337 -0.852 . . . . 0.0 111.03 -179.541 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 50.4 m -80.72 -23.22 39.63 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.022 -1.049 . . . . 0.0 110.616 -179.093 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 43.1 t -86.15 108.4 18.3 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.145 -0.972 . . . . 0.0 110.601 -179.047 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -63.84 -29.15 70.37 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.527 -0.733 . . . . 0.0 109.156 178.975 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.96 9.59 1.13 Allowed 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.439 -0.788 . . . . 0.0 109.989 -179.458 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 85.4 m -148.08 -34.15 0.23 Allowed 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.238 -0.913 . . . . 0.0 109.58 -179.713 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 16.8 tt0 . . . . . 0 N--CA 1.493 1.704 0 O-C-N 121.103 -0.998 . . . . 0.0 109.81 179.906 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 1' ' ' PHE . . . . . 0.513 ' CE2' ' CE2' ' B' ' 1' ' ' PHE . 77.0 m-85 . . . . . 0 N--CA 1.487 1.413 0 CA-C-O 121.508 0.67 . . . . 0.0 109.477 . . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 22.9 mt -73.99 -42.72 59.99 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.424 -0.797 . . . . 0.0 110.687 -178.796 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 62.3 t0 -61.15 -49.73 76.04 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.151 -0.968 . . . . 0.0 111.239 -178.329 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.68 -44.65 89.09 Favored Glycine 0 N--CA 1.488 2.158 0 N-CA-C 109.989 -1.244 . . . . 0.0 109.989 -179.203 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.553 HD11 HG11 ' B' ' 31' ' ' VAL . 74.3 mt -60.17 -40.15 82.69 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.195 -1.179 . . . . 0.0 110.566 -179.606 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -56.81 -47.58 79.95 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.832 -1.168 . . . . 0.0 109.647 -179.202 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -68.79 -40.03 79.83 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.197 -0.939 . . . . 0.0 109.041 178.858 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.15 -36.77 77.76 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.274 -0.892 . . . . 0.0 109.778 179.719 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 5' ' ' ILE . 61.9 tt0 -57.07 -41.53 78.97 Favored 'General case' 0 C--N 1.302 -1.461 0 C-N-CA 119.385 -0.926 . . . . 0.0 109.404 -179.439 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 78.2 tt0 -61.53 -41.21 97.0 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 120.908 -1.12 . . . . 0.0 108.836 179.213 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 19.6 tp10 -61.52 -41.13 96.85 Favored 'General case' 0 N--CA 1.493 1.704 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 178.893 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.556 ' O ' ' N ' ' A' ' 16' ' ' HIS . 15.6 t60 -61.35 -49.81 75.45 Favored 'General case' 0 C--N 1.305 -1.362 0 CA-C-O 121.514 0.673 . . . . 0.0 109.846 179.38 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 31.6 tp10 -59.76 -40.57 88.61 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 121.176 -0.953 . . . . 0.0 110.112 -178.768 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.1 mtpp -60.56 -39.3 87.49 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.172 -0.955 . . . . 0.0 112.254 -178.663 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -133.68 -3.0 2.96 Favored 'General case' 0 N--CA 1.51 2.551 0 O-C-N 120.961 -1.087 . . . . 0.0 112.701 -176.967 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.556 ' N ' ' O ' ' A' ' 12' ' ' HIS . 93.6 m-70 54.45 46.85 24.12 Favored 'General case' 0 N--CA 1.498 1.966 0 N-CA-C 107.335 -1.357 . . . . 0.0 107.335 -177.613 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 96.7 p -66.26 154.64 39.34 Favored 'General case' 0 C--N 1.302 -1.473 0 CA-C-O 121.459 0.647 . . . . 0.0 110.121 -178.489 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -70.9 159.16 35.17 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.184 -0.948 . . . . 0.0 108.84 179.96 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 27.6 p-90 -58.21 -27.98 64.41 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.363 -0.835 . . . . 0.0 110.076 -179.187 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -64.48 -39.84 94.56 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.029 -1.045 . . . . 0.0 110.213 179.648 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.42 -45.17 69.81 Favored 'General case' 0 C--N 1.298 -1.644 0 O-C-N 121.26 -0.9 . . . . 0.0 109.835 -179.093 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 79.8 mtm -63.44 -39.98 95.93 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.137 -0.977 . . . . 0.0 109.628 -179.958 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.487 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -56.56 -46.6 80.63 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.317 -0.864 . . . . 0.0 109.601 -179.966 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 27.8 t -70.84 -38.21 73.2 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.375 -0.828 . . . . 0.0 110.161 179.931 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -60.08 -39.46 86.19 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.191 -0.943 . . . . 0.0 110.41 -179.343 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -112.6 2.66 16.29 Favored 'General case' 0 N--CA 1.502 2.165 0 O-C-N 121.305 -0.872 . . . . 0.0 109.761 -179.746 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.487 ' N ' ' O ' ' A' ' 23' ' ' ALA . 83.2 m-20 54.41 49.06 19.22 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.499 -0.751 . . . . 0.0 109.968 179.949 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 73.8 mt -117.78 151.62 48.86 Favored Pre-proline 0 N--CA 1.505 2.318 0 O-C-N 121.317 -0.864 . . . . 0.0 108.838 179.786 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_endo -60.32 161.33 20.35 Favored 'Trans proline' 0 N--CA 1.49 1.282 0 C-N-CA 121.702 1.601 . . . . 0.0 111.067 179.912 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_endo -54.77 -34.14 83.45 Favored 'Trans proline' 0 C--N 1.302 -1.886 0 C-N-CA 122.361 2.041 . . . . 0.0 111.613 179.846 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.529 HG11 HD11 ' B' ' 5' ' ' ILE . 95.4 t -54.27 -48.97 66.49 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.577 0 O-C-N 121.339 -0.85 . . . . 0.0 110.131 -178.79 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 68.6 t -68.05 -46.37 81.74 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.923 0 C-N-CA 118.239 -1.384 . . . . 0.0 109.48 -179.689 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.95 -45.14 86.97 Favored 'General case' 0 C--N 1.294 -1.812 0 C-N-CA 119.705 -0.798 . . . . 0.0 110.365 179.924 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.9 mtmm -62.7 -35.69 80.52 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 120.555 -1.341 . . . . 0.0 110.408 -179.505 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.8 tm-20 -59.9 -38.77 83.23 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.764 -1.21 . . . . 0.0 109.149 -179.359 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 21.4 mt -60.03 -40.24 82.62 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 120.834 -1.166 . . . . 0.0 108.396 179.49 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 97.0 t -62.86 -39.72 86.06 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.441 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 179.086 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.87 -30.52 71.58 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 179.508 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.3 m -79.46 -27.31 41.6 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.235 -0.916 . . . . 0.0 109.188 179.793 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 35.8 t -82.59 103.34 12.05 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.195 -0.941 . . . . 0.0 109.107 179.669 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -60.65 -29.52 69.32 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.275 -0.891 . . . . 0.0 110.699 -179.688 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 48.5 mtpt -70.41 -40.84 73.63 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.076 -1.015 . . . . 0.0 110.887 -178.768 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 81.4 m -85.99 -23.52 26.82 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.058 -1.026 . . . . 0.0 109.808 -179.911 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 . . . . . 0 N--CA 1.491 1.615 0 O-C-N 121.222 -0.924 . . . . 0.0 110.532 -178.588 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' B' B ' 1' ' ' PHE . . . . . 0.513 ' CE2' ' CE2' ' A' ' 1' ' ' PHE . 74.1 m-85 . . . . . 0 N--CA 1.488 1.453 0 CA-C-O 121.484 0.659 . . . . 0.0 109.729 . . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 17.0 mt -74.53 -41.7 60.15 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.153 -0.967 . . . . 0.0 110.859 -178.948 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -62.27 -49.81 74.2 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.319 -0.863 . . . . 0.0 111.308 -178.251 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.67 -45.66 82.6 Favored Glycine 0 N--CA 1.484 1.887 0 N-CA-C 109.759 -1.336 . . . . 0.0 109.759 -178.927 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 5' ' ' ILE . . . . . 0.529 HD11 HG11 ' A' ' 31' ' ' VAL . 72.7 mt -59.3 -40.25 80.91 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.47 0 O-C-N 121.401 -1.058 . . . . 0.0 110.607 -179.572 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -57.0 -45.88 82.68 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.761 -1.212 . . . . 0.0 109.542 -178.99 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -70.41 -40.07 74.09 Favored 'General case' 0 C--N 1.303 -1.451 0 C-N-CA 119.189 -1.004 . . . . 0.0 108.814 179.032 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.16 -37.61 81.19 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.341 -0.849 . . . . 0.0 109.531 179.747 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -56.19 -42.45 77.16 Favored 'General case' 0 C--N 1.302 -1.469 0 C-N-CA 119.306 -0.958 . . . . 0.0 109.556 -179.802 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 79.4 tt0 -60.7 -41.48 95.26 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.985 -1.072 . . . . 0.0 108.734 179.304 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 19.1 tp10 -61.51 -41.0 96.65 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.035 -1.041 . . . . 0.0 108.385 178.92 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 12' ' ' HIS . . . . . 0.534 ' O ' ' N ' ' B' ' 16' ' ' HIS . 14.6 t60 -61.72 -48.81 79.05 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 119.807 -0.757 . . . . 0.0 109.869 179.229 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 31.0 tp10 -59.96 -40.67 89.81 Favored 'General case' 0 C--N 1.297 -1.702 0 O-C-N 121.029 -1.044 . . . . 0.0 109.931 -178.448 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 25.5 mtpp -60.76 -38.14 84.22 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.295 -0.878 . . . . 0.0 112.507 -178.701 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -135.19 -1.89 2.58 Favored 'General case' 0 N--CA 1.507 2.403 0 O-C-N 120.868 -1.145 . . . . 0.0 112.67 -176.641 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.534 ' N ' ' O ' ' B' ' 12' ' ' HIS . 92.8 m-70 54.19 42.83 31.34 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.557 -1.34 . . . . 0.0 107.605 -178.047 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 85.5 p -61.54 155.58 21.74 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.698 -0.626 . . . . 0.0 110.437 -178.781 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 68.8 m-20 -72.45 158.84 34.99 Favored 'General case' 0 N--CA 1.486 1.367 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 179.713 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 27.4 p-90 -57.88 -29.08 64.75 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.195 -0.941 . . . . 0.0 110.056 -179.231 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -62.74 -40.35 96.95 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.104 -0.998 . . . . 0.0 109.994 179.634 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.78 -47.06 64.29 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.29 -0.881 . . . . 0.0 109.773 -179.086 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 79.1 mtm -61.01 -39.71 90.8 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.94 -1.1 . . . . 0.0 109.804 179.793 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.504 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -57.12 -47.34 81.35 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.179 -0.951 . . . . 0.0 109.54 -179.814 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 22.8 t -70.31 -36.99 74.67 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.328 -0.857 . . . . 0.0 110.137 179.75 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 60.0 t0 -60.83 -40.37 92.55 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.338 -0.851 . . . . 0.0 110.453 -179.304 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -111.66 2.68 17.39 Favored 'General case' 0 N--CA 1.504 2.253 0 O-C-N 121.326 -0.859 . . . . 0.0 109.957 179.899 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 27' ' ' ASN . . . . . 0.504 ' N ' ' O ' ' B' ' 23' ' ' ALA . 84.5 m-20 54.85 49.08 18.61 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.408 -0.807 . . . . 0.0 109.847 179.885 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 74.9 mt -117.67 150.83 47.58 Favored Pre-proline 0 N--CA 1.502 2.156 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 179.805 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -60.07 161.46 19.18 Favored 'Trans proline' 0 N--CA 1.491 1.35 0 C-N-CA 121.65 1.567 . . . . 0.0 110.999 179.69 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_endo -54.77 -34.26 83.96 Favored 'Trans proline' 0 C--N 1.303 -1.824 0 C-N-CA 122.412 2.075 . . . . 0.0 111.535 179.954 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.553 HG11 HD11 ' A' ' 5' ' ' ILE . 89.9 t -53.73 -49.92 54.48 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.741 0 O-C-N 121.289 -0.882 . . . . 0.0 109.789 -178.607 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 87.0 t -67.38 -47.39 81.13 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.986 0 C-N-CA 118.402 -1.319 . . . . 0.0 109.422 -179.188 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.19 -45.55 87.83 Favored 'General case' 0 C--N 1.298 -1.663 0 O-C-N 121.354 -0.841 . . . . 0.0 110.243 179.909 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 17.5 mtmm -61.89 -36.17 80.51 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 120.615 -1.303 . . . . 0.0 110.497 -179.458 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -59.63 -39.2 83.54 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.566 -1.334 . . . . 0.0 109.595 -179.517 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 21.6 mt -59.54 -39.76 80.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 120.807 -1.183 . . . . 0.0 107.855 179.674 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 87.9 t -63.79 -39.99 87.4 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.503 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 179.272 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 38' ' ' ALA . . . . . 0.525 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -61.96 -31.13 71.44 Favored 'General case' 0 C--N 1.299 -1.609 0 N-CA-C 108.62 -0.882 . . . . 0.0 108.62 179.177 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 7.4 m -78.44 -27.21 46.44 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.234 -0.916 . . . . 0.0 109.272 179.959 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 38.2 t -83.0 102.96 12.09 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.044 -1.035 . . . . 0.0 109.425 -179.937 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -60.55 -28.51 68.49 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.26 -0.9 . . . . 0.0 110.619 -179.787 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 48.3 mtpt -71.49 -41.58 69.13 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.114 -0.992 . . . . 0.0 110.802 -178.86 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 83.7 m -85.75 -23.72 27.18 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.912 -1.118 . . . . 0.0 109.867 -179.955 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 44' ' ' GLN . . . . . 0.525 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 6.8 tt0 . . . . . 0 N--CA 1.488 1.449 0 O-C-N 121.281 -0.887 . . . . 0.0 110.556 -178.703 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 1' ' ' PHE . . . . . 0.421 ' O ' HD12 ' A' ' 5' ' ' ILE . 71.9 m-85 . . . . . 0 N--CA 1.492 1.636 0 CA-C-O 121.287 0.565 . . . . 0.0 110.437 . . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 45.6 mt -70.61 -32.63 70.05 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.295 -0.878 . . . . 0.0 111.21 -177.763 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -63.75 -51.59 64.19 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.042 -1.036 . . . . 0.0 110.578 -178.196 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.44 -43.02 93.42 Favored Glycine 0 N--CA 1.488 2.118 0 N-CA-C 109.553 -1.419 . . . . 0.0 109.553 -179.897 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.421 HD12 ' O ' ' A' ' 1' ' ' PHE . 80.3 mt -59.66 -39.98 81.02 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 O-C-N 121.413 -1.051 . . . . 0.0 110.306 -179.039 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -56.24 -46.0 79.78 Favored 'General case' 0 N--CA 1.49 1.568 0 C-N-CA 119.129 -1.028 . . . . 0.0 108.917 -179.318 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 60.0 mttp -70.0 -39.79 75.68 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 120.848 -1.158 . . . . 0.0 109.28 179.158 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.28 -38.41 81.67 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.588 -0.695 . . . . 0.0 109.489 -179.808 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -58.29 -39.97 80.71 Favored 'General case' 0 N--CA 1.485 1.285 0 O-C-N 121.237 -0.914 . . . . 0.0 109.835 -178.991 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 77.8 tt0 -63.13 -41.08 99.24 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.092 -1.005 . . . . 0.0 109.907 179.772 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.501 ' CD ' ' HG ' ' A' ' 17' ' ' SER . 14.3 tm-20 -60.9 -43.93 97.84 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.236 -0.915 . . . . 0.0 109.259 179.48 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.509 ' O ' ' N ' ' A' ' 16' ' ' HIS . 14.7 t60 -61.03 -42.63 98.83 Favored 'General case' 0 C--N 1.301 -1.508 0 C-N-CA 119.493 -0.883 . . . . 0.0 110.222 -179.729 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.4 tp10 -61.08 -42.77 99.13 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 120.574 -1.329 . . . . 0.0 110.574 -179.385 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -63.54 -38.94 93.04 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.816 -0.553 . . . . 0.0 112.356 -178.7 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 33.2 m-85 -131.63 -0.92 3.89 Favored 'General case' 0 N--CA 1.508 2.436 0 O-C-N 120.897 -1.127 . . . . 0.0 113.269 -176.629 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.509 ' N ' ' O ' ' A' ' 12' ' ' HIS . 92.7 m-70 52.09 41.78 30.15 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 120.177 -1.577 . . . . 0.0 107.219 -178.659 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.501 ' HG ' ' CD ' ' A' ' 11' ' ' GLU . 6.7 p -62.52 150.32 40.59 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.465 -0.772 . . . . 0.0 109.819 -178.449 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 28.1 m120 -68.81 152.96 44.63 Favored 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 108.164 -1.051 . . . . 0.0 108.164 179.746 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 46.4 p-90 -55.01 -30.14 58.85 Favored 'General case' 0 C--N 1.299 -1.616 0 C-N-CA 119.633 -0.827 . . . . 0.0 109.268 -178.591 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -62.77 -43.76 97.95 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 120.777 -1.202 . . . . 0.0 110.249 179.81 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.33 -44.92 70.67 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.623 -1.298 . . . . 0.0 108.94 179.734 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 21.8 mtp -61.71 -44.36 97.08 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.527 -0.733 . . . . 0.0 110.19 -179.879 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.51 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -58.26 -44.61 88.43 Favored 'General case' 0 C--N 1.296 -1.731 0 C-N-CA 118.996 -1.081 . . . . 0.0 109.04 179.457 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 51.0 m -68.97 -34.9 76.07 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.22 -0.925 . . . . 0.0 109.563 179.913 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -61.44 -41.35 97.05 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.33 -0.856 . . . . 0.0 110.092 -179.834 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -110.03 4.08 20.98 Favored 'General case' 0 N--CA 1.505 2.304 0 O-C-N 121.614 -0.679 . . . . 0.0 110.835 -179.689 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.51 ' N ' ' O ' ' A' ' 23' ' ' ALA . 70.0 m-20 53.82 46.81 24.99 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.372 -0.83 . . . . 0.0 110.779 179.312 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 79.1 mt -113.29 152.7 45.39 Favored Pre-proline 0 N--CA 1.512 2.66 0 O-C-N 121.352 -0.842 . . . . 0.0 108.841 -179.82 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_endo -62.01 161.3 26.51 Favored 'Trans proline' 0 N--CA 1.493 1.448 0 C-N-CA 121.622 1.548 . . . . 0.0 110.713 179.897 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo -55.84 -35.54 93.96 Favored 'Trans proline' 0 C--N 1.301 -1.959 0 C-N-CA 122.413 2.075 . . . . 0.0 111.742 -178.937 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 73.7 t -57.28 -49.57 79.52 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.717 0 O-C-N 120.782 -1.199 . . . . 0.0 110.571 -178.666 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 61.9 t -65.61 -48.27 83.24 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.736 0 O-C-N 120.394 -1.441 . . . . 0.0 109.083 -178.889 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.43 -44.27 83.38 Favored 'General case' 0 N--CA 1.494 1.733 0 C-N-CA 119.515 -0.874 . . . . 0.0 110.868 179.891 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 50.8 mtpt -63.12 -35.31 79.85 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.99 -1.069 . . . . 0.0 110.24 -179.598 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.3 tm-20 -61.54 -39.71 92.05 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 120.902 -1.124 . . . . 0.0 109.733 -178.857 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 92.8 mt -60.13 -38.91 78.88 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.43 0 O-C-N 120.921 -1.112 . . . . 0.0 108.323 179.77 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 64.2 t -63.58 -40.64 89.79 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 179.287 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.01 -30.22 69.01 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.406 -0.809 . . . . 0.0 108.964 179.64 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.6 m -78.34 -25.82 46.56 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.912 -1.118 . . . . 0.0 109.031 -179.968 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 41.9 t -81.06 101.36 9.54 Favored 'General case' 0 N--CA 1.491 1.582 0 N-CA-C 108.404 -0.962 . . . . 0.0 108.404 178.794 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -59.54 -31.12 69.12 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.337 -0.852 . . . . 0.0 111.222 -179.416 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -69.4 -40.32 77.41 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.127 -0.983 . . . . 0.0 111.133 -178.007 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 56.9 m -81.17 -24.88 37.24 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.974 -1.079 . . . . 0.0 109.726 179.904 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 54.6 tt0 . . . . . 0 N--CA 1.49 1.548 0 O-C-N 120.922 -1.111 . . . . 0.0 109.299 -179.269 . . . . . . . . 0 0 . 1 . 031 nuclear build core ' B' B ' 1' ' ' PHE . . . . . 0.426 ' O ' HD12 ' B' ' 5' ' ' ILE . 81.2 m-85 . . . . . 0 N--CA 1.488 1.429 0 CA-C-O 121.185 0.517 . . . . 0.0 110.325 . . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 40.7 mt -69.01 -35.39 76.61 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.057 -1.027 . . . . 0.0 111.176 -177.685 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 54.9 t0 -60.38 -52.47 65.12 Favored 'General case' 0 N--CA 1.502 2.143 0 O-C-N 120.581 -1.324 . . . . 0.0 110.658 -178.882 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.28 -43.45 95.21 Favored Glycine 0 N--CA 1.493 2.471 0 N-CA-C 109.431 -1.468 . . . . 0.0 109.431 -179.814 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 5' ' ' ILE . . . . . 0.426 HD12 ' O ' ' B' ' 1' ' ' PHE . 76.3 mt -59.69 -38.96 78.29 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.427 0 O-C-N 121.562 -0.963 . . . . 0.0 111.003 -179.45 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -58.06 -45.27 87.37 Favored 'General case' 0 C--N 1.299 -1.603 0 C-N-CA 118.475 -1.29 . . . . 0.0 108.829 -178.399 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 58.3 mttp -70.17 -39.67 75.16 Favored 'General case' 0 N--CA 1.487 1.406 0 C-N-CA 118.977 -1.089 . . . . 0.0 109.214 179.617 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.53 -40.55 85.08 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.356 -0.84 . . . . 0.0 109.402 179.904 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 57.9 tt0 -55.87 -40.83 73.49 Favored 'General case' 0 C--N 1.303 -1.423 0 C-N-CA 119.326 -0.949 . . . . 0.0 110.011 -178.513 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -62.4 -41.13 98.42 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.084 -1.01 . . . . 0.0 109.448 -179.91 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 11' ' ' GLU . . . . . 0.401 ' OE1' ' OG ' ' B' ' 17' ' ' SER . 13.7 tm-20 -61.17 -42.96 99.49 Favored 'General case' 0 C--N 1.305 -1.353 0 C-N-CA 119.59 -0.844 . . . . 0.0 109.127 179.155 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 12' ' ' HIS . . . . . 0.563 ' O ' ' N ' ' B' ' 16' ' ' HIS . 15.0 t60 -61.85 -44.7 96.3 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.137 -0.977 . . . . 0.0 110.134 -179.404 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 40.7 tp10 -60.31 -43.1 96.63 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.861 -1.15 . . . . 0.0 110.672 -179.503 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 49.4 mtmt -63.09 -36.3 83.13 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.16 -0.963 . . . . 0.0 112.458 -178.885 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 44.9 m-85 -133.96 -1.05 3.03 Favored 'General case' 0 N--CA 1.508 2.457 0 O-C-N 120.887 -1.133 . . . . 0.0 112.687 -176.618 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.563 ' N ' ' O ' ' B' ' 12' ' ' HIS . 92.4 m-70 52.03 42.01 30.15 Favored 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 107.351 -1.352 . . . . 0.0 107.351 -178.358 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 17' ' ' SER . . . . . 0.401 ' OG ' ' OE1' ' B' ' 11' ' ' GLU . 11.8 p -61.87 151.94 33.16 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.873 -0.517 . . . . 0.0 110.215 -178.405 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 28.3 m120 -70.71 150.7 45.67 Favored 'General case' 0 C--N 1.306 -1.29 0 C-N-CA 119.408 -0.917 . . . . 0.0 108.698 179.406 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 43.7 p-90 -52.23 -30.03 25.56 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.545 -0.722 . . . . 0.0 109.616 -179.504 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -62.99 -43.94 97.41 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 120.776 -1.202 . . . . 0.0 110.198 179.848 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.51 -44.64 70.63 Favored 'General case' 0 C--N 1.298 -1.663 0 O-C-N 120.917 -1.114 . . . . 0.0 108.878 -179.835 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 26.7 mtp -61.15 -43.56 98.68 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.671 -0.643 . . . . 0.0 109.937 179.985 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.508 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -59.47 -43.46 93.24 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.003 -1.061 . . . . 0.0 109.269 179.603 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 45.6 m -70.16 -36.54 74.79 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.257 -0.902 . . . . 0.0 109.793 179.441 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 67.9 t0 -60.35 -41.64 94.07 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.482 -0.761 . . . . 0.0 110.0 -179.866 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -109.97 4.42 21.4 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.613 -0.679 . . . . 0.0 110.72 -179.773 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 27' ' ' ASN . . . . . 0.508 ' N ' ' O ' ' B' ' 23' ' ' ALA . 75.6 m-20 52.89 47.0 25.63 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.109 -0.995 . . . . 0.0 110.263 179.307 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 82.2 mt -113.21 151.88 44.64 Favored Pre-proline 0 N--CA 1.506 2.33 0 O-C-N 121.166 -0.959 . . . . 0.0 108.93 179.806 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_endo -59.88 161.7 17.97 Favored 'Trans proline' 0 N--CA 1.495 1.593 0 C-N-CA 121.766 1.644 . . . . 0.0 110.633 179.799 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_endo -56.41 -37.95 96.16 Favored 'Trans proline' 0 C--N 1.301 -1.95 0 C-N-CA 122.413 2.076 . . . . 0.0 111.586 -179.338 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 96.8 t -55.53 -48.9 76.78 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.102 -0.999 . . . . 0.0 110.765 -178.565 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 78.4 t -66.84 -45.8 86.8 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.67 0 C-N-CA 117.804 -1.558 . . . . 0.0 108.933 -178.743 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.73 -45.75 70.71 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.075 -1.015 . . . . 0.0 110.451 179.709 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 52.1 mtpt -61.36 -33.95 74.49 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.149 -0.97 . . . . 0.0 110.641 -179.957 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 35' ' ' GLU . . . . . 0.417 ' OE1' ' C ' ' B' ' 35' ' ' GLU . 12.8 tm-20 -62.64 -39.73 94.78 Favored 'General case' 0 C--N 1.3 -1.558 0 C-N-CA 118.834 -1.146 . . . . 0.0 109.446 -179.149 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 86.3 mt -59.64 -38.58 76.34 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.539 0 O-C-N 121.055 -1.028 . . . . 0.0 108.433 179.554 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 58.2 t -63.89 -39.91 87.16 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 121.308 -0.87 . . . . 0.0 108.719 179.301 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 38' ' ' ALA . . . . . 0.504 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -61.18 -30.28 70.32 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.389 -0.819 . . . . 0.0 109.125 179.157 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 48.9 m -77.75 -24.82 48.93 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.314 -0.866 . . . . 0.0 108.955 179.933 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 41.7 t -82.15 100.98 10.14 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.103 -0.998 . . . . 0.0 108.527 178.965 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -60.39 -30.25 69.47 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.789 -1.194 . . . . 0.0 110.737 -179.311 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -69.95 -39.89 75.76 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 120.859 -1.151 . . . . 0.0 111.058 -178.839 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 58.2 m -82.74 -23.84 33.81 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.783 -1.198 . . . . 0.0 109.907 -179.898 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 44' ' ' GLN . . . . . 0.504 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 8.5 tt0 . . . . . 0 N--CA 1.492 1.642 0 O-C-N 121.16 -0.963 . . . . 0.0 109.51 -179.898 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 . . . . . 0 N--CA 1.489 1.489 0 CA-C-O 121.151 0.5 . . . . 0.0 109.796 . . . . . . . . . 0 0 . 1 . 032 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 20.3 mt -75.39 -42.08 54.72 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.431 -0.793 . . . . 0.0 111.06 -178.756 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -65.1 -49.42 70.06 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.287 -0.883 . . . . 0.0 111.097 -178.175 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.59 -47.48 86.57 Favored Glycine 0 N--CA 1.494 2.528 0 N-CA-C 110.18 -1.168 . . . . 0.0 110.18 -179.085 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.552 HD11 HG11 ' B' ' 31' ' ' VAL . 96.5 mt -59.79 -40.38 82.42 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.504 0 O-C-N 121.309 -1.113 . . . . 0.0 110.584 -179.878 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -51.95 -42.1 62.59 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 120.841 -1.162 . . . . 0.0 109.04 -179.377 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 48.0 mttm -70.65 -46.6 62.95 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.199 -0.938 . . . . 0.0 109.831 178.349 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.42 -34.31 77.99 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.683 -0.635 . . . . 0.0 109.673 179.921 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -59.06 -39.85 83.36 Favored 'General case' 0 C--N 1.306 -1.285 0 C-N-CA 119.445 -0.902 . . . . 0.0 108.807 -179.351 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 37.0 tp10 -62.34 -40.65 97.06 Favored 'General case' 0 N--CA 1.486 1.355 0 O-C-N 120.921 -1.112 . . . . 0.0 108.752 179.248 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -60.82 -39.9 90.71 Favored 'General case' 0 N--CA 1.486 1.328 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 179.705 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.562 ' O ' ' N ' ' A' ' 16' ' ' HIS . 17.3 t60 -61.55 -45.44 94.15 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 119.458 -0.897 . . . . 0.0 109.898 179.705 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -60.66 -43.51 97.57 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.127 -0.983 . . . . 0.0 110.239 -179.178 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 46.4 mtmt -60.73 -33.82 73.48 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 112.955 0.724 . . . . 0.0 112.955 -178.52 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -136.78 -5.68 1.94 Allowed 'General case' 0 N--CA 1.506 2.375 0 O-C-N 121.018 -1.051 . . . . 0.0 112.463 -177.096 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.562 ' N ' ' O ' ' A' ' 12' ' ' HIS . 89.9 m-70 54.73 42.43 31.21 Favored 'General case' 0 N--CA 1.496 1.869 0 N-CA-C 107.558 -1.275 . . . . 0.0 107.558 -177.621 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 91.3 p -65.87 154.8 38.23 Favored 'General case' 0 C--N 1.303 -1.44 0 CA-C-O 121.567 0.699 . . . . 0.0 110.697 -178.518 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -70.91 159.98 33.68 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.493 -0.755 . . . . 0.0 109.337 179.413 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 51.0 p-90 -57.29 -30.32 64.62 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.054 -1.029 . . . . 0.0 110.332 -179.779 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 83.4 mtm180 -62.69 -41.72 99.25 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.108 -0.995 . . . . 0.0 110.51 -179.818 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.13 -47.87 66.95 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.988 -1.07 . . . . 0.0 109.513 -179.371 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 78.1 mtm -60.83 -40.34 92.42 Favored 'General case' 0 C--N 1.301 -1.505 0 C-N-CA 119.546 -0.861 . . . . 0.0 109.662 179.548 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.49 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -57.81 -46.01 85.3 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.224 -0.923 . . . . 0.0 109.328 -179.672 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 28.9 t -69.99 -38.76 76.11 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.066 -1.021 . . . . 0.0 109.929 179.546 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 -59.89 -40.48 88.87 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.236 -0.915 . . . . 0.0 110.652 -178.861 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -109.11 0.31 19.77 Favored 'General case' 0 N--CA 1.502 2.128 0 O-C-N 121.492 -0.755 . . . . 0.0 110.007 -179.688 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.49 ' N ' ' O ' ' A' ' 23' ' ' ALA . 73.3 m-20 54.82 47.13 23.05 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.457 -0.777 . . . . 0.0 109.369 179.765 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 40.9 mt -111.1 152.37 43.67 Favored Pre-proline 0 N--CA 1.5 2.04 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 179.747 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -60.33 160.87 21.81 Favored 'Trans proline' 0 C--N 1.312 -1.379 0 C-N-CA 121.615 1.543 . . . . 0.0 110.957 179.634 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -55.01 -34.7 87.95 Favored 'Trans proline' 0 C--N 1.301 -1.963 0 C-N-CA 122.439 2.093 . . . . 0.0 111.905 -179.69 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.629 HG11 HD11 ' B' ' 5' ' ' ILE . 63.5 t -56.61 -48.22 80.91 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.728 0 O-C-N 120.954 -1.091 . . . . 0.0 110.441 -178.713 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 61.8 t -67.77 -46.53 82.29 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.861 0 C-N-CA 118.53 -1.268 . . . . 0.0 109.152 -178.93 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.12 -46.91 75.89 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.393 -0.817 . . . . 0.0 110.037 179.728 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 37.2 mtmt -61.39 -35.32 77.17 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.768 -1.207 . . . . 0.0 110.381 179.731 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.4 tm-20 -60.25 -39.85 88.23 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.118 -0.988 . . . . 0.0 109.826 -178.954 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 45.3 mt -59.84 -39.78 80.9 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.446 0 O-C-N 121.19 -0.944 . . . . 0.0 108.938 -179.659 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 81.6 t -62.35 -38.21 80.62 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 O-C-N 121.026 -1.046 . . . . 0.0 108.724 179.355 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.5 -30.53 69.77 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.428 -0.795 . . . . 0.0 109.364 179.755 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 66.6 m -80.51 -27.58 37.67 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.3 -0.875 . . . . 0.0 110.183 -179.574 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 48.0 t -82.58 102.37 11.37 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 120.94 -1.1 . . . . 0.0 109.152 -179.89 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -60.41 -29.64 69.1 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.509 -0.744 . . . . 0.0 110.193 179.956 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -70.01 -40.64 75.12 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.034 -1.041 . . . . 0.0 110.689 -178.392 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 91.1 m -87.53 -23.37 24.4 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.001 -1.062 . . . . 0.0 109.916 179.827 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 . . . . . 0 N--CA 1.493 1.683 0 O-C-N 121.32 -0.863 . . . . 0.0 110.24 -179.54 . . . . . . . . 0 0 . 1 . 032 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 73.6 m-85 . . . . . 0 N--CA 1.485 1.314 0 CA-C-O 121.26 0.552 . . . . 0.0 109.724 . . . . . . . . . 0 0 . 1 . 032 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 23.3 mt -73.91 -42.48 60.58 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.256 -0.902 . . . . 0.0 111.075 -178.686 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -65.11 -49.18 70.98 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.009 -1.057 . . . . 0.0 111.153 -178.424 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.96 -48.21 82.47 Favored Glycine 0 N--CA 1.49 2.297 0 N-CA-C 110.244 -1.143 . . . . 0.0 110.244 -179.084 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 5' ' ' ILE . . . . . 0.629 HD11 HG11 ' A' ' 31' ' ' VAL . 96.3 mt -59.83 -39.96 81.36 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.562 0 O-C-N 121.322 -1.105 . . . . 0.0 110.738 -179.453 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -51.99 -42.28 62.84 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 120.842 -1.161 . . . . 0.0 108.725 -178.803 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 47.2 mttm -70.42 -46.3 64.21 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.216 -0.927 . . . . 0.0 109.609 178.672 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.28 -34.69 78.56 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.518 -0.739 . . . . 0.0 109.605 -179.726 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 59.5 tt0 -58.52 -40.14 82.07 Favored 'General case' 0 C--N 1.3 -1.559 0 C-N-CA 119.416 -0.914 . . . . 0.0 108.843 -179.407 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 37.6 tp10 -62.05 -40.69 96.62 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 119.004 -1.079 . . . . 0.0 108.543 179.079 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -60.83 -39.91 90.79 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 179.528 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 12' ' ' HIS . . . . . 0.577 ' O ' ' N ' ' B' ' 16' ' ' HIS . 17.6 t60 -61.55 -46.18 90.99 Favored 'General case' 0 C--N 1.306 -1.306 0 C-N-CA 119.673 -0.811 . . . . 0.0 109.801 179.437 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -60.28 -43.52 96.16 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.326 -0.859 . . . . 0.0 110.356 -179.155 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 45.0 mtmt -60.46 -35.71 76.52 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.36 -0.838 . . . . 0.0 112.669 -178.63 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -134.66 -5.6 2.51 Favored 'General case' 0 N--CA 1.509 2.483 0 O-C-N 120.722 -1.236 . . . . 0.0 112.737 -177.032 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.577 ' N ' ' O ' ' B' ' 12' ' ' HIS . 89.0 m-70 55.2 41.23 31.66 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 120.593 -1.317 . . . . 0.0 107.519 -177.8 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 96.4 p -64.93 155.29 34.84 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.563 -0.711 . . . . 0.0 110.725 -178.248 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 -71.13 160.53 32.71 Favored 'General case' 0 N--CA 1.491 1.606 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 179.719 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 49.7 p-90 -57.68 -30.11 65.19 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.197 -0.94 . . . . 0.0 110.247 -179.811 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 82.8 mtm180 -63.06 -41.66 99.5 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.902 -1.124 . . . . 0.0 110.555 -179.797 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.0 -47.5 68.33 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.263 -0.898 . . . . 0.0 109.656 -179.449 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 78.7 mtm -61.62 -39.59 91.81 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.186 -0.947 . . . . 0.0 109.614 179.625 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.485 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -57.79 -45.76 85.57 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.287 -0.883 . . . . 0.0 109.159 179.916 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 23.2 t -70.07 -38.79 75.82 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.296 -0.877 . . . . 0.0 109.885 179.918 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -60.33 -41.01 92.64 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.165 -0.96 . . . . 0.0 110.576 -178.917 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -108.14 0.1 21.38 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.367 -0.833 . . . . 0.0 110.017 -179.926 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 27' ' ' ASN . . . . . 0.485 ' N ' ' O ' ' B' ' 23' ' ' ALA . 18.6 m120 55.13 48.32 19.85 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.237 -0.914 . . . . 0.0 109.291 179.88 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 41.4 mt -112.21 152.47 44.45 Favored Pre-proline 0 N--CA 1.503 2.221 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 179.63 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -60.17 160.94 21.01 Favored 'Trans proline' 0 N--CA 1.49 1.303 0 C-N-CA 121.324 1.349 . . . . 0.0 110.949 179.448 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -55.6 -33.76 87.95 Favored 'Trans proline' 0 C--N 1.304 -1.786 0 C-N-CA 122.508 2.139 . . . . 0.0 112.169 -179.579 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.552 HG11 HD11 ' A' ' 5' ' ' ILE . 62.2 t -56.96 -48.52 81.46 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.762 0 O-C-N 120.821 -1.174 . . . . 0.0 110.211 -179.045 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 60.1 t -67.36 -47.14 82.03 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.874 0 C-N-CA 118.545 -1.262 . . . . 0.0 109.285 -178.776 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.26 -45.62 79.91 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.255 -0.903 . . . . 0.0 110.172 179.943 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 36.1 mtmt -61.77 -36.07 79.99 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.784 -1.198 . . . . 0.0 110.182 179.631 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 14.2 tm-20 -59.85 -39.93 86.83 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.011 -1.056 . . . . 0.0 110.188 -179.028 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 46.4 mt -59.94 -39.99 81.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.525 0 O-C-N 121.003 -1.061 . . . . 0.0 108.765 179.943 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 76.6 t -62.04 -37.93 79.57 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.201 -0.937 . . . . 0.0 108.855 178.943 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 38' ' ' ALA . . . . . 0.526 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -60.71 -31.83 71.1 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.539 -0.726 . . . . 0.0 109.702 179.694 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 66.1 m -79.58 -26.97 41.17 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.295 -0.878 . . . . 0.0 109.976 -179.437 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 49.7 t -82.73 102.58 11.63 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.754 -1.216 . . . . 0.0 109.413 179.844 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -60.84 -29.68 69.65 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.332 -0.855 . . . . 0.0 110.159 -179.858 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -69.54 -41.22 76.24 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.054 -1.029 . . . . 0.0 110.74 -178.669 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 86.7 m -87.26 -22.7 25.03 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.005 -1.06 . . . . 0.0 109.836 179.858 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 44' ' ' GLN . . . . . 0.526 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 7.2 tt0 . . . . . 0 N--CA 1.491 1.605 0 O-C-N 121.405 -0.81 . . . . 0.0 109.94 -179.394 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 1' ' ' PHE . . . . . 0.498 ' O ' HD12 ' A' ' 5' ' ' ILE . 56.7 m-85 . . . . . 0 N--CA 1.49 1.56 0 CA-C-O 121.476 0.655 . . . . 0.0 109.405 . . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 21.5 mt -70.03 -39.05 76.01 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.258 -0.901 . . . . 0.0 111.657 -178.187 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -61.3 -50.33 73.41 Favored 'General case' 0 C--N 1.298 -1.653 0 O-C-N 120.886 -1.134 . . . . 0.0 111.595 -177.052 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.26 -44.33 66.38 Favored Glycine 0 N--CA 1.494 2.53 0 N-CA-C 110.038 -1.225 . . . . 0.0 110.038 -179.014 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.498 HD12 ' O ' ' A' ' 1' ' ' PHE . 88.7 mt -59.41 -39.18 78.45 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.642 0 O-C-N 121.889 -0.771 . . . . 0.0 110.189 -179.533 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 85.8 m-20 -56.55 -47.22 79.92 Favored 'General case' 0 C--N 1.3 -1.544 0 C-N-CA 118.315 -1.354 . . . . 0.0 108.478 -179.569 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -68.08 -45.44 73.76 Favored 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 119.375 -0.93 . . . . 0.0 109.113 179.061 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.83 -39.04 93.09 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.229 -0.919 . . . . 0.0 110.175 179.709 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -56.29 -40.62 74.59 Favored 'General case' 0 N--CA 1.485 1.275 0 O-C-N 121.491 -0.756 . . . . 0.0 109.753 -179.527 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 65.7 tt0 -60.12 -40.31 89.26 Favored 'General case' 0 N--CA 1.486 1.326 0 O-C-N 121.088 -1.007 . . . . 0.0 109.158 178.683 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 24.7 tp10 -60.23 -39.86 88.16 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 179.073 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.53 ' O ' ' N ' ' A' ' 16' ' ' HIS . 14.0 t60 -60.97 -48.17 83.07 Favored 'General case' 0 C--N 1.304 -1.397 0 C-N-CA 119.419 -0.912 . . . . 0.0 109.51 179.761 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -59.57 -41.39 90.1 Favored 'General case' 0 C--N 1.297 -1.712 0 O-C-N 121.076 -1.015 . . . . 0.0 110.374 -179.318 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt -60.88 -30.9 70.43 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.971 -1.081 . . . . 0.0 112.799 -179.012 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -140.28 -8.13 1.16 Allowed 'General case' 0 N--CA 1.513 2.721 0 O-C-N 120.66 -1.275 . . . . 0.0 112.869 -176.874 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.53 ' N ' ' O ' ' A' ' 12' ' ' HIS . 90.7 m-70 56.84 41.65 27.68 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 120.543 -1.348 . . . . 0.0 107.794 -177.025 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 88.5 p -61.36 159.06 13.19 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.427 -0.796 . . . . 0.0 110.686 -179.449 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 54.8 m-20 -74.21 160.1 31.62 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.213 -0.929 . . . . 0.0 108.96 179.694 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 37.1 p-90 -57.19 -30.34 64.45 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 120.505 -1.372 . . . . 0.0 110.063 -179.503 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -63.5 -39.8 95.39 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.027 -1.046 . . . . 0.0 110.888 179.977 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.52 -49.82 56.7 Favored 'General case' 0 N--CA 1.486 1.375 0 O-C-N 120.987 -1.071 . . . . 0.0 108.641 -179.853 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 78.3 mtm -59.11 -41.27 87.77 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.172 -0.955 . . . . 0.0 109.329 179.377 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.511 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -58.41 -48.75 79.67 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.949 -1.094 . . . . 0.0 108.737 179.123 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 8.6 t -68.7 -36.82 78.97 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.144 -0.973 . . . . 0.0 110.465 179.767 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -60.28 -40.13 89.33 Favored 'General case' 0 N--CA 1.492 1.648 0 C-N-CA 118.898 -1.121 . . . . 0.0 110.593 -178.895 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -111.9 2.75 17.15 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.366 -0.834 . . . . 0.0 109.921 -179.471 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.511 ' N ' ' O ' ' A' ' 23' ' ' ALA . 86.9 m-20 56.36 45.28 23.11 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.46 -0.775 . . . . 0.0 110.501 179.973 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 48.6 mt -109.28 152.74 42.79 Favored Pre-proline 0 N--CA 1.503 2.209 0 O-C-N 121.354 -0.842 . . . . 0.0 108.996 179.695 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_endo -61.59 145.9 97.33 Favored 'Trans proline' 0 N--CA 1.496 1.621 0 C-N-CA 122.116 1.877 . . . . 0.0 111.462 179.739 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_exo -39.7 -38.19 1.66 Allowed 'Trans proline' 0 C--N 1.314 -1.261 0 C-N-CA 122.086 1.858 . . . . 0.0 112.82 -179.944 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 90.6 t -54.51 -49.32 66.92 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.899 0 O-C-N 120.822 -1.174 . . . . 0.0 110.734 -178.199 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.492 HG13 HD11 ' A' ' 5' ' ' ILE . 57.3 t -65.95 -46.22 88.93 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.08 0 C-N-CA 118.01 -1.476 . . . . 0.0 109.629 -178.978 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.45 -45.03 77.2 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.351 -0.843 . . . . 0.0 110.124 -179.758 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 43.7 mtmt -61.45 -36.44 80.41 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 120.646 -1.284 . . . . 0.0 110.331 179.834 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.4 tm-20 -60.1 -39.6 86.71 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 120.842 -1.161 . . . . 0.0 109.907 -179.459 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 90.0 mt -59.9 -39.73 80.86 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.295 0 O-C-N 120.595 -1.316 . . . . 0.0 109.336 179.644 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 78.6 t -61.52 -40.36 86.18 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 O-C-N 121.1 -1.0 . . . . 0.0 108.884 179.078 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.52 ' O ' ' NE2' ' A' ' 44' ' ' GLN . . . -59.22 -35.87 74.4 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.988 -1.07 . . . . 0.0 109.742 -179.845 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 40.7 m -73.88 -27.08 60.88 Favored 'General case' 0 C--N 1.297 -1.701 0 C-N-CA 119.755 -0.778 . . . . 0.0 109.188 179.595 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 41.6 t -84.62 106.23 16.02 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.131 -0.981 . . . . 0.0 109.665 179.97 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 59.1 m-20 -62.1 -30.81 71.27 Favored 'General case' 0 N--CA 1.504 2.255 0 O-C-N 121.347 -0.846 . . . . 0.0 111.091 -179.403 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 65.6 mttp -69.88 -38.9 76.53 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 120.688 -1.257 . . . . 0.0 110.412 -178.942 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 88.5 m -89.27 -16.38 31.31 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.991 -1.068 . . . . 0.0 109.494 179.617 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.52 ' NE2' ' O ' ' A' ' 38' ' ' ALA . 26.1 tt0 . . . . . 0 N--CA 1.497 1.893 0 O-C-N 120.714 -1.241 . . . . 0.0 109.358 179.835 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 1' ' ' PHE . . . . . 0.443 ' O ' HD12 ' B' ' 5' ' ' ILE . 53.2 m-85 . . . . . 0 N--CA 1.493 1.693 0 CA-C-O 121.765 0.793 . . . . 0.0 109.255 . . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 24.6 mt -70.05 -36.96 75.4 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.098 -1.001 . . . . 0.0 112.096 -178.274 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -64.29 -49.14 72.98 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.606 -1.309 . . . . 0.0 110.959 -178.098 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.09 -46.29 59.13 Favored Glycine 0 N--CA 1.493 2.441 0 O-C-N 120.544 -1.348 . . . . 0.0 109.927 -179.374 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 5' ' ' ILE . . . . . 0.458 HD11 HG13 ' B' ' 32' ' ' VAL . 97.0 mt -58.12 -39.45 72.93 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.499 0 O-C-N 121.471 -1.017 . . . . 0.0 110.468 -178.995 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -56.55 -46.7 80.56 Favored 'General case' 0 C--N 1.301 -1.517 0 C-N-CA 118.87 -1.132 . . . . 0.0 108.139 179.861 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 34.5 ttmt -69.41 -42.08 75.52 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.144 -0.972 . . . . 0.0 109.778 178.584 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.14 -36.03 82.05 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.684 -0.635 . . . . 0.0 109.734 179.555 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 -58.59 -40.4 83.09 Favored 'General case' 0 C--N 1.3 -1.544 0 C-N-CA 119.661 -0.816 . . . . 0.0 109.683 -179.597 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 73.1 tt0 -61.22 -39.96 92.23 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.582 -1.324 . . . . 0.0 109.034 179.027 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 27.1 tp10 -60.13 -39.43 86.22 Favored 'General case' 0 N--CA 1.494 1.76 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 179.184 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 12' ' ' HIS . . . . . 0.54 ' O ' ' N ' ' B' ' 16' ' ' HIS . 12.7 t60 -61.64 -46.32 90.29 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.353 -0.842 . . . . 0.0 109.702 179.43 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.51 -42.93 97.38 Favored 'General case' 0 C--N 1.298 -1.632 0 O-C-N 120.763 -1.21 . . . . 0.0 110.48 -179.98 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -60.44 -30.81 69.88 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.144 -0.973 . . . . 0.0 112.528 -179.023 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -140.44 -7.43 1.15 Allowed 'General case' 0 N--CA 1.511 2.582 0 O-C-N 120.292 -1.505 . . . . 0.0 112.904 -176.878 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.54 ' N ' ' O ' ' B' ' 12' ' ' HIS . 89.8 m-70 55.12 41.7 31.4 Favored 'General case' 0 N--CA 1.495 1.824 0 N-CA-C 107.335 -1.357 . . . . 0.0 107.335 -177.344 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 97.8 p -62.0 159.44 14.3 Favored 'General case' 0 C--N 1.309 -1.157 0 O-C-N 121.32 -0.862 . . . . 0.0 110.416 -178.67 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 47.1 m-20 -74.11 160.5 31.14 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.119 -0.988 . . . . 0.0 109.128 179.724 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 35.7 p-90 -56.81 -30.5 63.79 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.943 -1.098 . . . . 0.0 110.242 -179.634 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -62.57 -40.33 96.5 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.723 -1.236 . . . . 0.0 110.433 179.867 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.51 -48.01 65.5 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 120.969 -1.082 . . . . 0.0 109.21 -179.845 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 78.7 mtm -61.37 -41.01 96.4 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.18 -0.95 . . . . 0.0 109.72 179.586 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -58.58 -47.21 85.05 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.387 -0.82 . . . . 0.0 109.086 179.363 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 16.1 t -70.67 -36.06 73.16 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.322 -0.861 . . . . 0.0 110.122 179.998 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 85.6 m-20 -60.6 -37.69 82.22 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.213 -0.93 . . . . 0.0 110.152 -178.362 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -114.82 3.5 14.65 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.548 -0.72 . . . . 0.0 110.036 -179.707 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 27' ' ' ASN . . . . . 0.462 ' N ' ' O ' ' B' ' 23' ' ' ALA . 87.4 m-20 54.64 45.34 27.03 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.437 -0.789 . . . . 0.0 110.201 -179.623 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 69.2 mt -108.84 152.67 42.45 Favored Pre-proline 0 N--CA 1.506 2.346 0 O-C-N 121.396 -0.815 . . . . 0.0 109.12 179.535 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -62.09 147.73 94.53 Favored 'Trans proline' 0 N--CA 1.494 1.557 0 C-N-CA 121.778 1.652 . . . . 0.0 111.256 -179.946 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_exo -41.71 -38.02 4.18 Favored 'Trans proline' 0 C--N 1.312 -1.354 0 C-N-CA 122.57 2.18 . . . . 0.0 112.62 -179.847 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 84.3 t -54.73 -47.31 73.85 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.809 0 O-C-N 121.353 -0.842 . . . . 0.0 111.04 -178.045 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 32' ' ' VAL . . . . . 0.458 HG13 HD11 ' B' ' 5' ' ' ILE . 60.5 t -67.21 -48.27 78.94 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.077 0 C-N-CA 118.389 -1.325 . . . . 0.0 109.136 -179.439 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.4 -45.65 83.13 Favored 'General case' 0 N--CA 1.493 1.678 0 C-N-CA 120.24 -0.584 . . . . 0.0 110.314 179.867 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 44.0 mtmt -61.81 -35.04 77.03 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 120.854 -1.154 . . . . 0.0 110.031 -179.91 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 14.7 tm-20 -61.23 -38.0 85.06 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 120.915 -1.116 . . . . 0.0 110.571 -178.84 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 89.6 mt -61.35 -39.5 82.96 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.441 0 O-C-N 120.828 -1.17 . . . . 0.0 108.24 -179.408 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 72.5 t -61.34 -38.98 81.15 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.611 0 O-C-N 121.295 -0.878 . . . . 0.0 109.542 178.754 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 38' ' ' ALA . . . . . 0.5 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -59.52 -36.72 76.65 Favored 'General case' 0 C--N 1.297 -1.677 0 O-C-N 121.216 -0.928 . . . . 0.0 109.172 -179.988 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 39.4 m -72.1 -28.85 63.57 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.467 -0.77 . . . . 0.0 110.122 179.851 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 37.6 t -84.42 104.69 14.65 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.159 -0.963 . . . . 0.0 109.739 -179.734 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -60.34 -30.71 69.7 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.308 -0.87 . . . . 0.0 111.403 -179.68 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 65.0 mttp -68.56 -40.78 80.48 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.007 -1.058 . . . . 0.0 110.835 -178.883 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 90.0 m -88.19 -14.91 37.39 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.973 -1.08 . . . . 0.0 110.154 179.671 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 44' ' ' GLN . . . . . 0.5 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 25.5 tt0 . . . . . 0 N--CA 1.493 1.676 0 O-C-N 120.936 -1.102 . . . . 0.0 108.913 -179.739 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 . . . . . 0 N--CA 1.493 1.701 0 CA-C-O 121.57 0.7 . . . . 0.0 109.534 . . . . . . . . . 0 0 . 1 . 034 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 25.2 mt -73.37 -22.44 60.27 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.551 -0.718 . . . . 0.0 111.829 -178.113 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 85.8 m-20 -63.35 -59.29 4.89 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.515 -1.366 . . . . 0.0 111.307 -178.553 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.43 -41.31 96.48 Favored Glycine 0 N--CA 1.492 2.427 0 C-N-CA 119.717 -1.23 . . . . 0.0 110.063 -179.375 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.463 ' O ' ' N ' ' A' ' 9' ' ' GLN . 96.4 mt -59.7 -40.42 82.32 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.525 0 O-C-N 121.327 -1.102 . . . . 0.0 110.506 -179.292 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 47.0 t0 -56.48 -44.77 80.96 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 120.935 -1.103 . . . . 0.0 108.582 -179.915 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -70.09 -43.19 71.6 Favored 'General case' 0 N--CA 1.49 1.55 0 C-N-CA 119.162 -1.015 . . . . 0.0 108.948 178.497 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.69 -35.01 79.53 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.035 -1.041 . . . . 0.0 109.564 179.582 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.463 ' N ' ' O ' ' A' ' 5' ' ' ILE . 54.2 tt0 -58.57 -40.0 81.85 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.213 -0.93 . . . . 0.0 109.397 -179.216 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -60.55 -40.33 91.17 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 119.198 -1.001 . . . . 0.0 108.812 179.181 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 21.2 tp10 -60.02 -40.34 88.95 Favored 'General case' 0 N--CA 1.486 1.364 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 179.449 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.536 ' O ' ' N ' ' A' ' 16' ' ' HIS . 17.2 t60 -60.24 -45.66 92.46 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 121.081 -1.012 . . . . 0.0 109.757 179.359 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -61.02 -42.37 98.34 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.272 -0.893 . . . . 0.0 110.332 -179.167 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -62.0 -30.07 70.7 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.39 -0.818 . . . . 0.0 112.644 -178.378 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -140.24 -7.06 1.19 Allowed 'General case' 0 N--CA 1.508 2.444 0 O-C-N 120.651 -1.281 . . . . 0.0 112.475 -177.028 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.536 ' N ' ' O ' ' A' ' 12' ' ' HIS . 84.1 m-70 54.54 39.8 31.39 Favored 'General case' 0 N--CA 1.493 1.714 0 N-CA-C 107.505 -1.295 . . . . 0.0 107.505 -177.217 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 86.0 p -65.24 157.86 27.78 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.462 -0.774 . . . . 0.0 110.648 -178.538 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -71.93 160.03 33.24 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.582 -0.699 . . . . 0.0 109.482 179.802 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 50.9 p-90 -58.87 -29.57 67.09 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.281 -0.887 . . . . 0.0 110.017 -179.647 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 61.2 mtp180 -62.73 -39.86 95.39 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.03 -1.043 . . . . 0.0 109.847 179.559 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.82 -49.41 52.86 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.128 -0.982 . . . . 0.0 109.254 179.932 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 77.7 mtm -61.35 -39.89 92.26 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.227 -0.921 . . . . 0.0 109.573 179.785 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.92 -49.26 77.37 Favored 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 119.347 -0.941 . . . . 0.0 109.443 179.872 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 16.5 m -70.73 -34.83 72.3 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.317 -0.864 . . . . 0.0 109.918 179.952 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 56.9 t0 -60.34 -44.76 95.23 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.178 -0.951 . . . . 0.0 110.831 -178.965 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -105.98 0.43 25.71 Favored 'General case' 0 N--CA 1.503 2.203 0 O-C-N 121.17 -0.956 . . . . 0.0 109.623 179.877 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 51.8 t30 59.75 49.31 8.24 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.433 -0.792 . . . . 0.0 109.958 179.588 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 51.9 mt -113.61 152.36 45.36 Favored Pre-proline 0 N--CA 1.5 2.029 0 O-C-N 121.145 -0.972 . . . . 0.0 108.688 179.755 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_endo -60.81 163.28 16.37 Favored 'Trans proline' 0 N--CA 1.492 1.406 0 C-N-CA 121.752 1.635 . . . . 0.0 110.954 179.245 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -56.5 -37.11 97.97 Favored 'Trans proline' 0 C--N 1.302 -1.881 0 C-N-CA 122.45 2.1 . . . . 0.0 112.909 -179.464 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 91.2 t -57.59 -45.65 86.31 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.037 -1.039 . . . . 0.0 110.232 -178.839 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 44.9 t -68.36 -48.57 72.41 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.782 0 C-N-CA 118.492 -1.283 . . . . 0.0 109.018 -179.48 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.68 -47.98 73.62 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.336 -0.853 . . . . 0.0 110.319 179.964 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -60.99 -34.17 74.37 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.111 -0.993 . . . . 0.0 110.141 -179.879 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.441 ' CG ' HG13 ' B' ' 31' ' ' VAL . 14.9 tm-20 -62.13 -38.34 88.58 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 120.861 -1.15 . . . . 0.0 110.065 -179.766 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 83.3 mt -59.64 -40.11 81.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 120.9 -1.125 . . . . 0.0 108.803 -179.683 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 88.9 t -62.88 -39.89 86.73 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.082 -1.011 . . . . 0.0 108.645 179.598 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.23 -31.07 69.83 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.564 -0.71 . . . . 0.0 109.279 179.573 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.1 m -76.87 -30.08 56.09 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 121.36 -0.837 . . . . 0.0 109.325 -179.814 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 46.3 t -81.9 101.95 10.56 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.288 -0.883 . . . . 0.0 109.242 179.968 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -60.08 -29.79 68.8 Favored 'General case' 0 C--N 1.297 -1.683 0 O-C-N 121.465 -0.772 . . . . 0.0 109.879 179.644 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -70.56 -43.87 68.6 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.03 -1.044 . . . . 0.0 111.204 -179.215 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 90.8 m -82.59 -22.97 34.62 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 120.722 -1.236 . . . . 0.0 109.71 -179.889 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 . . . . . 0 C--N 1.301 -1.523 0 O-C-N 121.241 -0.912 . . . . 0.0 108.835 -179.746 . . . . . . . . 0 0 . 1 . 034 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 . . . . . 0 N--CA 1.493 1.698 0 CA-C-O 121.431 0.634 . . . . 0.0 109.771 . . . . . . . . . 0 0 . 1 . 034 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 27.1 mt -73.61 -20.87 60.48 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.536 -0.728 . . . . 0.0 111.943 -178.105 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -64.92 -59.0 4.67 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 120.349 -1.469 . . . . 0.0 111.01 -178.292 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.52 -40.51 96.18 Favored Glycine 0 N--CA 1.495 2.567 0 C-N-CA 119.688 -1.244 . . . . 0.0 110.236 -179.483 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 5' ' ' ILE . . . . . 0.453 ' O ' ' N ' ' B' ' 9' ' ' GLN . 96.5 mt -60.33 -40.7 84.71 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.18 -1.188 . . . . 0.0 110.497 -179.241 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -56.3 -45.05 80.39 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 120.98 -1.075 . . . . 0.0 108.658 179.99 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -69.95 -42.9 72.6 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.025 -1.047 . . . . 0.0 108.864 178.805 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.3 -35.63 80.88 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.4 -0.812 . . . . 0.0 109.765 179.695 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 9' ' ' GLN . . . . . 0.453 ' N ' ' O ' ' B' ' 5' ' ' ILE . 57.7 tt0 -57.58 -40.5 79.15 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 119.588 -0.845 . . . . 0.0 109.072 -179.391 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -60.28 -40.38 90.2 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 119.054 -1.058 . . . . 0.0 108.71 179.265 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 20.9 tp10 -59.87 -40.41 88.56 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 119.423 -0.911 . . . . 0.0 108.566 179.582 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 12' ' ' HIS . . . . . 0.546 ' O ' ' N ' ' B' ' 16' ' ' HIS . 19.0 t60 -60.37 -45.16 94.51 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.152 -0.968 . . . . 0.0 109.877 179.453 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -60.83 -42.34 97.54 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.394 -0.816 . . . . 0.0 110.327 -179.376 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 57.1 mtpt -62.79 -30.09 71.2 Favored 'General case' 0 C--N 1.298 -1.672 0 N-CA-C 112.863 0.69 . . . . 0.0 112.863 -178.118 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -139.91 -6.06 1.29 Allowed 'General case' 0 N--CA 1.506 2.372 0 O-C-N 120.603 -1.311 . . . . 0.0 112.293 -177.05 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.546 ' N ' ' O ' ' B' ' 12' ' ' HIS . 82.7 m-70 53.17 39.93 30.44 Favored 'General case' 0 N--CA 1.493 1.708 0 N-CA-C 107.317 -1.364 . . . . 0.0 107.317 -177.34 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 97.0 p -65.23 158.41 26.26 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.424 -0.797 . . . . 0.0 110.712 -178.707 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -72.64 160.46 32.2 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.337 -0.852 . . . . 0.0 109.425 179.777 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 52.3 p-90 -58.69 -30.07 67.12 Favored 'General case' 0 C--N 1.303 -1.415 0 C-N-CA 119.55 -0.86 . . . . 0.0 109.952 -179.794 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 60.3 mtp180 -62.53 -40.01 95.39 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.016 -1.053 . . . . 0.0 109.756 179.917 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.27 -49.5 55.51 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.24 -0.912 . . . . 0.0 109.277 179.691 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 77.8 mtm -61.72 -39.79 92.78 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.313 -0.867 . . . . 0.0 109.667 179.615 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.93 -49.22 77.5 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 119.233 -0.987 . . . . 0.0 109.137 -179.914 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 15.6 m -70.81 -34.44 71.73 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.253 -0.905 . . . . 0.0 110.113 179.933 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 55.2 t0 -60.32 -46.06 91.23 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.175 -0.953 . . . . 0.0 110.499 -178.988 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -104.96 0.7 28.03 Favored 'General case' 0 N--CA 1.502 2.17 0 O-C-N 121.276 -0.89 . . . . 0.0 110.055 179.961 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 50.7 t30 59.5 49.92 8.05 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.341 -0.849 . . . . 0.0 109.848 179.513 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 53.9 mt -114.12 151.99 45.43 Favored Pre-proline 0 N--CA 1.502 2.166 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 179.711 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 27.2 Cg_endo -60.96 163.24 16.84 Favored 'Trans proline' 0 N--CA 1.49 1.301 0 C-N-CA 121.795 1.663 . . . . 0.0 110.858 179.295 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -56.37 -37.16 97.51 Favored 'Trans proline' 0 C--N 1.3 -2.009 0 C-N-CA 122.485 2.123 . . . . 0.0 112.489 -179.251 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.441 HG13 ' CG ' ' A' ' 35' ' ' GLU . 95.9 t -57.78 -45.45 87.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 120.913 -1.117 . . . . 0.0 110.369 -178.7 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 45.1 t -68.65 -47.58 76.02 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.71 0 C-N-CA 118.264 -1.374 . . . . 0.0 109.1 -179.242 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.95 -47.33 71.96 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.403 -0.811 . . . . 0.0 110.198 179.739 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -60.85 -34.85 75.22 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.801 -1.187 . . . . 0.0 110.32 179.847 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.1 tm-20 -61.13 -38.91 88.09 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 120.997 -1.064 . . . . 0.0 110.083 -179.978 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 84.8 mt -59.36 -40.36 81.32 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 120.985 -1.072 . . . . 0.0 109.205 -179.859 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 86.6 t -62.7 -39.72 85.8 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.478 0 C-N-CA 119.21 -0.996 . . . . 0.0 108.584 179.64 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 38' ' ' ALA . . . . . 0.524 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -60.37 -30.72 69.75 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.528 -0.732 . . . . 0.0 109.193 179.511 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 17.0 m -77.3 -29.79 53.84 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.401 -0.812 . . . . 0.0 109.169 -179.607 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 44.3 t -82.56 102.25 11.28 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.306 -0.871 . . . . 0.0 109.43 -179.939 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -60.83 -28.6 68.93 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.496 -0.753 . . . . 0.0 109.822 -179.857 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -71.79 -42.7 66.8 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.177 -0.952 . . . . 0.0 110.875 -178.837 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 87.1 m -83.09 -23.44 33.08 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 120.742 -1.224 . . . . 0.0 109.645 179.684 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 44' ' ' GLN . . . . . 0.524 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 6.8 tt0 . . . . . 0 C--N 1.303 -1.422 0 O-C-N 121.415 -0.803 . . . . 0.0 109.057 -179.686 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 1' ' ' PHE . . . . . 0.573 ' O ' HD12 ' A' ' 5' ' ' ILE . 76.9 m-85 . . . . . 0 N--CA 1.493 1.707 0 CA-C-O 121.627 0.727 . . . . 0.0 109.679 . . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 15.2 mt -72.92 -27.22 61.74 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 121.341 -0.85 . . . . 0.0 111.081 -178.258 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.516 ' OD1' ' N ' ' A' ' 3' ' ' ASP . 18.3 p-10 -69.44 -61.79 1.64 Allowed 'General case' 0 N--CA 1.496 1.847 0 O-C-N 120.805 -1.185 . . . . 0.0 111.542 -178.302 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.421 ' H ' ' CG ' ' A' ' 3' ' ' ASP . . . -60.13 -40.77 97.63 Favored Glycine 0 N--CA 1.495 2.591 0 C-N-CA 119.886 -1.149 . . . . 0.0 110.446 -178.773 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.573 HD12 ' O ' ' A' ' 1' ' ' PHE . 96.4 mt -59.75 -39.36 79.55 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 O-C-N 121.199 -1.177 . . . . 0.0 109.729 -179.976 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 51.7 t0 -54.15 -47.16 72.25 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 120.76 -1.212 . . . . 0.0 108.463 -179.345 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 64.8 mttm -68.59 -43.62 76.09 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.199 -0.938 . . . . 0.0 109.761 178.972 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.94 -37.38 85.88 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.266 -0.896 . . . . 0.0 109.754 -179.892 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -57.8 -40.14 79.19 Favored 'General case' 0 C--N 1.305 -1.353 0 C-N-CA 119.365 -0.934 . . . . 0.0 109.263 -179.137 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -61.92 -42.22 98.84 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.176 -0.952 . . . . 0.0 109.011 178.521 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 25.3 tp10 -59.65 -40.86 89.1 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 179.44 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.555 ' O ' ' N ' ' A' ' 16' ' ' HIS . 13.0 t60 -60.44 -47.98 83.77 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.268 -0.895 . . . . 0.0 109.489 179.455 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -59.99 -40.41 89.06 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.979 -1.076 . . . . 0.0 110.08 -179.913 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.3 mtpp -62.06 -37.27 84.36 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.193 -0.942 . . . . 0.0 112.628 -178.98 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -135.2 -3.12 2.47 Favored 'General case' 0 N--CA 1.51 2.533 0 O-C-N 120.883 -1.136 . . . . 0.0 112.61 -177.069 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.555 ' N ' ' O ' ' A' ' 12' ' ' HIS . 89.6 m-70 53.78 40.68 31.79 Favored 'General case' 0 N--CA 1.495 1.824 0 N-CA-C 107.331 -1.359 . . . . 0.0 107.331 -177.649 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 78.3 p -62.51 158.0 18.98 Favored 'General case' 0 C--N 1.302 -1.478 0 CA-C-O 121.357 0.598 . . . . 0.0 110.509 -178.888 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 28.0 m120 -73.43 157.55 36.65 Favored 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 179.816 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 31.2 p-90 -57.6 -29.72 64.73 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.158 -0.964 . . . . 0.0 110.102 -179.33 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -62.91 -39.68 95.28 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.128 -0.983 . . . . 0.0 109.975 179.557 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.19 -49.7 54.21 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.356 -0.84 . . . . 0.0 109.6 -179.592 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 77.6 mtm -60.16 -39.49 86.61 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.224 -0.922 . . . . 0.0 109.379 179.062 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -58.38 -49.39 77.4 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.29 -0.881 . . . . 0.0 109.132 -179.923 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 21.6 t -70.33 -34.29 72.5 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.473 -0.767 . . . . 0.0 109.71 179.291 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 57.8 t0 -60.22 -42.41 95.1 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.223 -0.923 . . . . 0.0 110.466 -179.211 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -111.19 4.08 18.96 Favored 'General case' 0 N--CA 1.502 2.152 0 O-C-N 121.431 -0.793 . . . . 0.0 109.925 -179.867 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.433 ' N ' ' O ' ' A' ' 23' ' ' ALA . 13.2 m120 56.89 43.29 25.07 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.238 -0.913 . . . . 0.0 110.105 -179.95 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 86.8 mt -108.19 152.49 41.88 Favored Pre-proline 0 N--CA 1.5 2.025 0 O-C-N 121.319 -0.863 . . . . 0.0 109.105 -179.936 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_endo -62.48 150.35 87.77 Favored 'Trans proline' 0 N--CA 1.493 1.462 0 C-N-CA 121.858 1.706 . . . . 0.0 111.532 -179.813 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -44.32 -37.16 10.06 Favored 'Trans proline' 0 C--N 1.309 -1.52 0 C-N-CA 121.494 1.463 . . . . 0.0 111.647 -179.92 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 49.9 t -52.78 -51.39 36.68 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.638 0 C-N-CA 119.657 -0.817 . . . . 0.0 110.739 -178.279 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.413 HG13 HD11 ' A' ' 5' ' ' ILE . 61.6 t -64.86 -46.81 90.76 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.958 0 C-N-CA 118.324 -1.35 . . . . 0.0 109.942 -178.452 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.97 -45.85 76.44 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.142 -0.974 . . . . 0.0 110.293 179.981 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -60.8 -36.06 78.06 Favored 'General case' 0 C--N 1.302 -1.496 0 C-N-CA 119.273 -0.971 . . . . 0.0 110.205 -179.334 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -61.35 -38.57 87.42 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 120.991 -1.068 . . . . 0.0 109.835 -179.619 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 81.7 mt -60.92 -39.72 82.98 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.451 0 O-C-N 120.825 -1.172 . . . . 0.0 109.845 -179.893 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 85.9 t -62.35 -39.93 86.02 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.603 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 179.888 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.05 -30.25 69.07 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.475 -0.765 . . . . 0.0 109.379 179.841 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 63.9 m -77.17 -28.93 54.25 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.356 -0.84 . . . . 0.0 109.212 -179.762 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 42.7 t -81.76 104.08 11.9 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.53 -0.731 . . . . 0.0 109.403 179.769 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -62.0 -28.98 69.95 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.223 -0.923 . . . . 0.0 110.311 -179.842 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 81.2 mttt -70.09 -40.68 74.82 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.157 -0.964 . . . . 0.0 110.671 -177.987 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 66.2 m -83.26 -28.05 29.44 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.046 -1.034 . . . . 0.0 109.697 179.977 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.472 ' NE2' ' OE1' ' B' ' 44' ' ' GLN . 57.2 tt0 . . . . . 0 N--CA 1.487 1.411 0 O-C-N 121.197 -0.94 . . . . 0.0 109.086 179.986 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 1' ' ' PHE . . . . . 0.614 ' O ' HD12 ' B' ' 5' ' ' ILE . 77.0 m-85 . . . . . 0 N--CA 1.491 1.606 0 CA-C-O 121.558 0.694 . . . . 0.0 109.71 . . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 16.6 mt -73.04 -27.97 62.06 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.52 -0.737 . . . . 0.0 111.747 -178.106 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 3' ' ' ASP . . . . . 0.515 ' OD1' ' N ' ' B' ' 3' ' ' ASP . 17.2 p-10 -70.0 -61.26 1.85 Allowed 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.572 -1.33 . . . . 0.0 111.016 -178.395 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 4' ' ' GLY . . . . . 0.43 ' H ' ' CG ' ' B' ' 3' ' ' ASP . . . -58.5 -43.08 96.15 Favored Glycine 0 N--CA 1.493 2.474 0 N-CA-C 110.104 -1.198 . . . . 0.0 110.104 -178.992 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 5' ' ' ILE . . . . . 0.614 HD12 ' O ' ' B' ' 1' ' ' PHE . 97.8 mt -58.81 -38.87 75.17 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.562 0 O-C-N 121.441 -1.035 . . . . 0.0 110.386 -179.935 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 49.1 t0 -54.42 -47.16 73.13 Favored 'General case' 0 C--N 1.304 -1.411 0 C-N-CA 118.412 -1.315 . . . . 0.0 108.54 -179.461 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -68.11 -44.1 76.93 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 119.414 -0.914 . . . . 0.0 109.602 179.258 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.11 -36.48 83.26 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.353 -0.842 . . . . 0.0 109.797 -179.835 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -58.82 -40.34 83.84 Favored 'General case' 0 C--N 1.305 -1.328 0 O-C-N 121.235 -0.916 . . . . 0.0 109.033 -179.382 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -61.25 -41.76 97.46 Favored 'General case' 0 C--N 1.302 -1.457 0 C-N-CA 118.984 -1.086 . . . . 0.0 108.812 178.665 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 25.0 tp10 -60.4 -40.07 89.64 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.244 -0.91 . . . . 0.0 109.193 179.705 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 12' ' ' HIS . . . . . 0.544 ' O ' ' N ' ' B' ' 16' ' ' HIS . 13.0 t60 -61.03 -47.29 87.09 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 119.29 -0.964 . . . . 0.0 109.066 179.472 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -59.8 -40.84 89.69 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.1 -1.0 . . . . 0.0 109.971 -179.86 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp -62.33 -36.41 82.1 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.316 -0.865 . . . . 0.0 112.532 -178.609 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -135.78 -2.67 2.36 Favored 'General case' 0 N--CA 1.509 2.499 0 O-C-N 120.678 -1.264 . . . . 0.0 112.732 -177.547 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.544 ' N ' ' O ' ' B' ' 12' ' ' HIS . 90.1 m-70 53.98 40.7 31.87 Favored 'General case' 0 N--CA 1.497 1.905 0 N-CA-C 107.209 -1.404 . . . . 0.0 107.209 -177.048 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 83.1 p -63.57 158.78 20.26 Favored 'General case' 0 C--N 1.303 -1.417 0 CA-C-O 121.504 0.669 . . . . 0.0 110.69 -178.303 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 27.2 m120 -73.61 157.39 36.73 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.748 -0.595 . . . . 0.0 109.65 -179.819 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 27.9 p-90 -57.72 -30.22 65.35 Favored 'General case' 0 C--N 1.301 -1.508 0 C-N-CA 119.485 -0.886 . . . . 0.0 109.814 -179.601 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -62.85 -39.57 94.78 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.236 -0.915 . . . . 0.0 109.677 179.439 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.68 -50.36 51.64 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.106 -0.996 . . . . 0.0 109.762 -179.908 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 77.3 mtm -60.05 -38.93 84.26 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.151 -0.968 . . . . 0.0 109.559 178.948 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.405 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -59.64 -49.16 78.82 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.304 -0.872 . . . . 0.0 108.844 -179.57 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 12.7 t -70.47 -33.39 71.21 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.728 -0.607 . . . . 0.0 109.834 179.613 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 59.9 t0 -60.66 -44.05 96.9 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.414 -0.804 . . . . 0.0 110.371 -179.116 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -109.62 3.85 21.49 Favored 'General case' 0 N--CA 1.504 2.227 0 O-C-N 121.615 -0.678 . . . . 0.0 110.184 -179.462 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 27' ' ' ASN . . . . . 0.405 ' N ' ' O ' ' B' ' 23' ' ' ALA . 13.7 m120 56.17 45.45 23.29 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.405 -0.809 . . . . 0.0 109.682 -179.658 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 91.2 mt -110.24 150.88 42.15 Favored Pre-proline 0 N--CA 1.498 1.966 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 179.545 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -60.54 152.28 69.37 Favored 'Trans proline' 0 N--CA 1.489 1.222 0 C-N-CA 121.728 1.619 . . . . 0.0 111.247 -179.844 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_exo -45.44 -37.97 15.27 Favored 'Trans proline' 0 C--N 1.313 -1.327 0 C-N-CA 121.821 1.681 . . . . 0.0 111.851 179.413 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 60.0 t -52.24 -49.52 40.74 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.813 0 O-C-N 121.446 -0.784 . . . . 0.0 110.657 -178.043 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 32' ' ' VAL . . . . . 0.48 HG13 HD11 ' B' ' 5' ' ' ILE . 58.6 t -67.32 -47.36 81.43 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.922 0 C-N-CA 118.221 -1.392 . . . . 0.0 109.486 -178.34 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.82 -45.46 82.21 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.397 -0.814 . . . . 0.0 110.046 179.826 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 52.1 mtpt -61.06 -36.65 80.18 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.026 -1.046 . . . . 0.0 109.991 -179.528 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.8 tm-20 -60.69 -39.11 87.28 Favored 'General case' 0 C--N 1.303 -1.433 0 C-N-CA 118.994 -1.082 . . . . 0.0 110.032 -179.705 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 81.1 mt -60.68 -39.7 82.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 120.608 -1.308 . . . . 0.0 109.592 179.863 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 83.0 t -62.65 -39.54 85.07 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.55 0 O-C-N 121.261 -0.899 . . . . 0.0 108.676 -179.969 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 38' ' ' ALA . . . . . 0.44 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -60.29 -30.1 69.25 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.383 -0.823 . . . . 0.0 109.424 179.396 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 71.1 m -77.88 -28.27 49.91 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.565 -0.709 . . . . 0.0 109.589 -179.598 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 43.2 t -82.4 103.22 11.8 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.322 -0.861 . . . . 0.0 109.278 179.664 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -60.98 -28.29 68.91 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.318 -0.863 . . . . 0.0 110.054 -179.899 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 82.8 mttt -71.38 -40.34 70.63 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.167 -0.958 . . . . 0.0 110.678 -178.008 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 63.8 m -83.33 -29.03 28.62 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 120.797 -1.189 . . . . 0.0 109.275 -179.786 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 44' ' ' GLN . . . . . 0.472 ' OE1' ' NE2' ' A' ' 44' ' ' GLN . 6.9 tt0 . . . . . 0 N--CA 1.489 1.5 0 O-C-N 121.179 -0.95 . . . . 0.0 109.51 179.821 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 1' ' ' PHE . . . . . 0.415 ' O ' HD12 ' A' ' 5' ' ' ILE . 43.6 m-85 . . . . . 0 N--CA 1.494 1.745 0 CA-C-O 121.562 0.696 . . . . 0.0 109.926 . . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 41.7 mt -69.37 -30.24 68.2 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.366 -0.834 . . . . 0.0 111.221 -178.459 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 57.1 t0 -61.67 -51.14 69.67 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.723 -1.236 . . . . 0.0 110.729 -179.257 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.97 -44.47 45.98 Favored Glycine 0 N--CA 1.492 2.426 0 N-CA-C 109.78 -1.328 . . . . 0.0 109.78 -179.562 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.476 ' O ' ' N ' ' A' ' 9' ' ' GLN . 84.7 mt -58.07 -39.68 73.66 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.497 0 O-C-N 121.516 -0.99 . . . . 0.0 109.557 -179.801 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -56.42 -46.54 80.17 Favored 'General case' 0 C--N 1.302 -1.466 0 C-N-CA 119.161 -1.016 . . . . 0.0 108.891 -179.685 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 63.4 mttm -69.19 -40.3 78.14 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 120.979 -1.075 . . . . 0.0 108.622 178.479 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.46 -37.18 84.58 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.309 -0.87 . . . . 0.0 109.571 179.47 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.476 ' N ' ' O ' ' A' ' 5' ' ' ILE . 56.6 tt0 -57.3 -40.09 77.12 Favored 'General case' 0 N--CA 1.486 1.37 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 -178.844 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 19.5 tp10 -60.62 -43.79 97.08 Favored 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 178.682 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.7 tm-20 -60.56 -41.49 94.69 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.361 -0.837 . . . . 0.0 108.849 178.875 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.529 ' O ' ' N ' ' A' ' 16' ' ' HIS . 13.8 t60 -61.54 -47.0 87.54 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.215 -0.928 . . . . 0.0 109.954 179.482 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.8 tp10 -60.83 -42.67 98.22 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.222 -0.924 . . . . 0.0 110.363 -179.196 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -62.63 -30.74 71.59 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.509 -0.744 . . . . 0.0 112.913 -178.207 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -140.81 -3.78 1.25 Allowed 'General case' 0 N--CA 1.509 2.487 0 O-C-N 120.755 -1.216 . . . . 0.0 112.453 -176.946 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.529 ' N ' ' O ' ' A' ' 12' ' ' HIS . 89.2 m-70 53.83 46.8 25.0 Favored 'General case' 0 N--CA 1.497 1.916 0 N-CA-C 107.359 -1.349 . . . . 0.0 107.359 -177.464 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 88.6 p -67.36 156.03 37.48 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.286 -0.884 . . . . 0.0 110.607 -178.197 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -71.72 154.29 41.45 Favored 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 179.872 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 47.2 p-90 -55.03 -31.41 61.07 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.182 -0.949 . . . . 0.0 110.384 -179.065 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 75.4 mtm180 -62.58 -40.1 95.8 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 120.9 -1.125 . . . . 0.0 109.802 -179.965 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.36 -47.7 63.52 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.329 -0.857 . . . . 0.0 109.476 -179.251 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 77.8 mtm -60.93 -39.67 90.3 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.17 -0.956 . . . . 0.0 109.469 179.545 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.491 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -57.67 -47.74 81.44 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.431 -0.793 . . . . 0.0 109.5 -179.631 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 33.2 t -70.26 -36.86 74.71 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.176 -0.953 . . . . 0.0 110.455 179.955 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -60.32 -39.83 88.42 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.211 -0.931 . . . . 0.0 110.532 -179.01 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -111.3 -1.74 15.93 Favored 'General case' 0 N--CA 1.505 2.288 0 O-C-N 121.362 -0.836 . . . . 0.0 109.817 -179.581 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.491 ' N ' ' O ' ' A' ' 23' ' ' ALA . 59.1 t30 58.54 49.92 9.88 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.136 -0.978 . . . . 0.0 110.594 179.884 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 81.4 mt -115.1 151.81 46.04 Favored Pre-proline 0 N--CA 1.507 2.386 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 179.374 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_endo -60.75 153.27 63.62 Favored 'Trans proline' 0 N--CA 1.496 1.639 0 C-N-CA 121.603 1.535 . . . . 0.0 111.38 -179.82 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_exo -45.3 -35.12 11.02 Favored 'Trans proline' 0 C--N 1.311 -1.447 0 C-N-CA 122.037 1.824 . . . . 0.0 112.042 179.579 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 70.4 t -54.13 -50.01 57.96 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.742 0 O-C-N 121.43 -0.794 . . . . 0.0 110.24 -178.225 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 62.2 t -67.01 -48.87 78.15 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.791 0 C-N-CA 118.594 -1.242 . . . . 0.0 109.092 -179.291 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.99 -45.21 86.57 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.295 -0.878 . . . . 0.0 110.646 -179.794 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 50.6 mtpt -61.77 -37.43 84.29 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.04 -1.038 . . . . 0.0 110.253 -179.911 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -61.44 -37.96 85.43 Favored 'General case' 0 N--CA 1.484 1.239 0 O-C-N 120.83 -1.169 . . . . 0.0 110.147 -178.647 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 43.6 mt -59.68 -39.67 80.24 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.387 0 C-N-CA 118.472 -1.291 . . . . 0.0 107.588 179.606 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 69.4 t -62.42 -39.49 84.5 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.403 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 178.678 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.75 -35.75 75.22 Favored 'General case' 0 C--N 1.305 -1.327 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 179.545 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 23.1 m -74.36 -33.63 63.15 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 121.435 -0.791 . . . . 0.0 109.661 -179.999 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 35.6 t -80.97 101.88 9.79 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.343 -0.848 . . . . 0.0 109.655 -179.441 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 -60.84 -28.57 68.92 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.451 -0.781 . . . . 0.0 110.526 -179.669 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 89.4 mttt -69.86 -40.42 75.78 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.545 -1.347 . . . . 0.0 110.205 -179.146 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 69.4 m -84.34 -23.17 30.32 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.093 -1.005 . . . . 0.0 109.377 179.76 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.5 ' NE2' ' OE1' ' B' ' 44' ' ' GLN . 56.4 tt0 . . . . . 0 N--CA 1.491 1.622 0 O-C-N 121.065 -1.022 . . . . 0.0 108.688 -179.87 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 1' ' ' PHE . . . . . 0.421 ' O ' HD12 ' B' ' 5' ' ' ILE . 42.4 m-85 . . . . . 0 N--CA 1.491 1.608 0 CA-C-O 121.482 0.658 . . . . 0.0 109.869 . . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 47.0 mt -69.23 -31.54 70.18 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.061 -1.024 . . . . 0.0 111.048 -178.264 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -60.94 -51.13 70.59 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 120.856 -1.153 . . . . 0.0 110.95 -178.699 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.36 -43.38 46.16 Favored Glycine 0 N--CA 1.492 2.414 0 N-CA-C 109.553 -1.419 . . . . 0.0 109.553 -179.372 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 5' ' ' ILE . . . . . 0.44 ' O ' ' N ' ' B' ' 9' ' ' GLN . 86.2 mt -59.02 -39.67 78.89 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.705 0 O-C-N 121.396 -1.061 . . . . 0.0 109.802 179.987 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -56.81 -45.75 82.05 Favored 'General case' 0 C--N 1.302 -1.458 0 C-N-CA 119.263 -0.975 . . . . 0.0 108.573 -179.583 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 64.6 mttm -69.71 -40.35 76.33 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 120.899 -1.126 . . . . 0.0 108.792 178.362 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.46 -36.96 84.07 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.276 -0.89 . . . . 0.0 109.537 179.444 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 9' ' ' GLN . . . . . 0.44 ' N ' ' O ' ' B' ' 5' ' ' ILE . 54.5 tt0 -57.32 -40.4 77.83 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.229 -0.919 . . . . 0.0 108.691 -179.178 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 19.4 tp10 -60.35 -43.29 96.62 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 178.875 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 13.1 tm-20 -60.75 -42.01 96.57 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.182 -0.949 . . . . 0.0 108.953 179.006 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 12' ' ' HIS . . . . . 0.522 ' O ' ' N ' ' B' ' 16' ' ' HIS . 13.5 t60 -61.57 -46.64 89.0 Favored 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 119.689 -0.805 . . . . 0.0 110.085 179.814 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 42.4 tp10 -60.47 -42.07 95.48 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.044 -1.035 . . . . 0.0 110.404 -179.492 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 25.7 mtpp -63.65 -30.68 71.76 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.572 -0.705 . . . . 0.0 112.854 -178.379 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -140.84 -3.73 1.25 Allowed 'General case' 0 N--CA 1.507 2.386 0 O-C-N 120.496 -1.378 . . . . 0.0 112.78 -177.08 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.522 ' N ' ' O ' ' B' ' 12' ' ' HIS . 91.0 m-70 53.34 47.15 24.86 Favored 'General case' 0 N--CA 1.498 1.933 0 N-CA-C 107.29 -1.374 . . . . 0.0 107.29 -177.533 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 84.4 p -67.34 155.64 38.42 Favored 'General case' 0 C--N 1.3 -1.55 0 C-N-CA 119.771 -0.772 . . . . 0.0 110.201 -178.37 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -71.94 155.65 40.13 Favored 'General case' 0 N--CA 1.489 1.475 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 179.95 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 44.6 p-90 -55.41 -31.34 61.78 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.177 -0.952 . . . . 0.0 110.48 -179.078 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 76.3 mtm180 -62.61 -40.2 96.19 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 120.888 -1.132 . . . . 0.0 109.991 -179.97 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.94 -47.99 64.34 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.19 -0.944 . . . . 0.0 109.853 -179.175 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 78.9 mtm -60.51 -39.7 88.74 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.231 -0.918 . . . . 0.0 109.289 179.671 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.483 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -57.41 -47.43 81.75 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 119.654 -0.818 . . . . 0.0 109.528 -179.602 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 34.0 t -70.18 -38.39 75.38 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.263 -0.898 . . . . 0.0 110.754 -179.847 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -59.95 -39.82 86.86 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.246 -0.909 . . . . 0.0 110.588 -178.76 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -110.48 -2.38 16.56 Favored 'General case' 0 N--CA 1.501 2.075 0 O-C-N 121.457 -0.777 . . . . 0.0 109.992 -179.686 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 27' ' ' ASN . . . . . 0.483 ' N ' ' O ' ' B' ' 23' ' ' ALA . 53.8 t30 58.85 50.0 9.14 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.294 -0.879 . . . . 0.0 110.548 179.603 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 83.9 mt -115.51 151.25 45.87 Favored Pre-proline 0 N--CA 1.504 2.239 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 179.142 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -60.14 154.47 51.47 Favored 'Trans proline' 0 N--CA 1.492 1.427 0 C-N-CA 121.461 1.44 . . . . 0.0 111.116 -179.854 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -46.04 -36.23 15.8 Favored 'Trans proline' 0 N--CA 1.491 1.339 0 C-N-CA 121.998 1.798 . . . . 0.0 112.107 179.608 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 76.4 t -52.74 -49.75 45.1 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.67 0 O-C-N 121.412 -0.805 . . . . 0.0 110.544 -178.414 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 61.6 t -67.85 -48.01 77.13 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.759 0 C-N-CA 118.705 -1.198 . . . . 0.0 109.387 -179.082 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.67 -45.41 83.0 Favored 'General case' 0 C--N 1.301 -1.536 0 C-N-CA 119.692 -0.803 . . . . 0.0 110.124 -179.767 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 51.6 mtpt -60.67 -38.55 85.28 Favored 'General case' 0 N--CA 1.486 1.369 0 O-C-N 120.987 -1.071 . . . . 0.0 110.237 179.822 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 14.6 tm-20 -60.8 -38.14 84.36 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.019 -1.05 . . . . 0.0 110.132 -178.45 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 47.8 mt -59.76 -39.9 81.05 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.406 0 O-C-N 120.655 -1.278 . . . . 0.0 107.624 179.828 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 72.8 t -62.42 -39.61 84.96 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 178.631 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 38' ' ' ALA . . . . . 0.478 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -59.41 -35.45 74.0 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 179.366 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 21.5 m -75.69 -32.05 59.95 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.224 -0.923 . . . . 0.0 109.997 -179.881 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 38.8 t -81.62 101.12 9.81 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.309 -0.869 . . . . 0.0 109.635 -179.421 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -60.4 -29.3 68.87 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.275 -0.891 . . . . 0.0 110.515 -179.476 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 88.8 mttt -68.81 -40.83 79.33 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.588 -1.32 . . . . 0.0 110.062 -178.897 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 87.7 m -84.12 -24.54 30.23 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 120.781 -1.199 . . . . 0.0 109.766 179.607 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 44' ' ' GLN . . . . . 0.5 ' OE1' ' NE2' ' A' ' 44' ' ' GLN . 7.0 tt0 . . . . . 0 N--CA 1.488 1.455 0 O-C-N 120.863 -1.148 . . . . 0.0 108.89 -179.885 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 1' ' ' PHE . . . . . 0.515 ' O ' HD12 ' A' ' 5' ' ' ILE . 43.3 m-85 . . . . . 0 N--CA 1.49 1.562 0 CA-C-O 121.535 0.683 . . . . 0.0 109.587 . . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 20.0 mt -67.95 -32.2 72.48 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.691 -0.63 . . . . 0.0 111.553 -178.045 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 58.9 t0 -65.16 -55.39 18.9 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.828 -1.17 . . . . 0.0 110.975 -178.609 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.39 -42.51 97.64 Favored Glycine 0 N--CA 1.488 2.145 0 N-CA-C 109.531 -1.427 . . . . 0.0 109.531 -179.623 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.515 HD12 ' O ' ' A' ' 1' ' ' PHE . 81.2 mt -59.86 -40.0 81.52 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.536 0 O-C-N 121.499 -1.0 . . . . 0.0 110.201 -179.882 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -54.8 -46.79 74.54 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 120.618 -1.301 . . . . 0.0 108.941 -179.375 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 50.8 mttp -69.58 -40.73 76.55 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.06 -1.025 . . . . 0.0 108.869 179.225 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.98 -35.4 78.28 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.313 -0.867 . . . . 0.0 109.453 -179.872 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.441 ' N ' ' O ' ' A' ' 5' ' ' ILE . 59.6 tt0 -58.16 -41.22 83.33 Favored 'General case' 0 C--N 1.305 -1.353 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 -179.677 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -61.9 -40.82 96.77 Favored 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 119.659 -0.816 . . . . 0.0 109.192 179.269 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.464 ' CD ' ' HG ' ' A' ' 17' ' ' SER . 12.1 tm-20 -60.43 -40.37 90.84 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.094 -1.004 . . . . 0.0 108.635 179.284 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.536 ' O ' ' N ' ' A' ' 16' ' ' HIS . 14.9 t60 -62.68 -46.09 89.76 Favored 'General case' 0 C--N 1.305 -1.327 0 O-C-N 121.238 -0.913 . . . . 0.0 110.322 179.903 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -60.38 -44.42 95.67 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.082 -1.011 . . . . 0.0 110.369 -179.083 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.0 mtpp -61.93 -31.08 71.37 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.274 -0.891 . . . . 0.0 113.111 -178.452 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 33.7 m-85 -139.11 -5.27 1.47 Allowed 'General case' 0 N--CA 1.506 2.345 0 O-C-N 120.647 -1.283 . . . . 0.0 112.687 -176.502 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.536 ' N ' ' O ' ' A' ' 12' ' ' HIS . 91.0 m-70 54.25 41.91 31.76 Favored 'General case' 0 N--CA 1.495 1.799 0 N-CA-C 107.317 -1.364 . . . . 0.0 107.317 -177.676 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.464 ' HG ' ' CD ' ' A' ' 11' ' ' GLU . 80.2 p -64.44 153.51 38.53 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.6 -0.688 . . . . 0.0 110.104 -178.509 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -71.32 157.84 37.39 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.462 -0.773 . . . . 0.0 109.186 179.602 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 48.6 p-90 -56.67 -32.16 65.14 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.407 -0.808 . . . . 0.0 110.606 -179.265 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -60.97 -40.16 92.32 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 120.955 -1.091 . . . . 0.0 109.179 -179.944 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.59 -48.76 63.35 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.595 -0.691 . . . . 0.0 109.159 -179.917 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 78.6 mtm -61.59 -40.74 95.88 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.165 -0.959 . . . . 0.0 109.005 179.411 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.497 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -57.86 -47.31 83.09 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.229 -0.919 . . . . 0.0 109.069 179.661 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 43.7 m -70.32 -34.71 73.03 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.273 -0.892 . . . . 0.0 110.199 179.984 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -61.55 -42.15 98.41 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.008 -1.057 . . . . 0.0 110.038 -179.038 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -109.54 1.32 19.66 Favored 'General case' 0 N--CA 1.501 2.08 0 O-C-N 121.5 -0.75 . . . . 0.0 110.229 -179.416 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.497 ' N ' ' O ' ' A' ' 23' ' ' ALA . 64.1 m-20 54.72 51.1 14.41 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.422 -0.799 . . . . 0.0 109.684 179.804 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 85.3 mt -115.37 153.01 47.53 Favored Pre-proline 0 N--CA 1.503 2.178 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 179.833 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_endo -61.57 144.04 97.42 Favored 'Trans proline' 0 N--CA 1.496 1.634 0 C-N-CA 121.97 1.78 . . . . 0.0 111.715 -179.896 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -39.69 -34.74 0.83 Allowed 'Trans proline' 0 N--CA 1.487 1.137 0 C-N-CA 122.281 1.987 . . . . 0.0 112.23 -179.417 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 89.0 t -54.87 -49.68 67.94 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.804 0 O-C-N 121.345 -0.847 . . . . 0.0 110.257 -178.599 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 61.7 t -66.83 -48.38 79.98 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.009 0 C-N-CA 118.421 -1.311 . . . . 0.0 109.539 -178.939 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.4 -44.67 82.38 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.391 -0.818 . . . . 0.0 109.665 -179.673 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.17 -38.0 81.89 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.931 -1.106 . . . . 0.0 109.797 -179.942 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.4 tm-20 -60.07 -39.74 87.1 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.195 -0.94 . . . . 0.0 110.452 -178.911 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 53.1 mt -59.72 -39.58 80.09 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 120.882 -1.136 . . . . 0.0 108.657 179.993 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 62.8 t -62.43 -39.41 84.23 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.706 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 179.078 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.88 -32.14 71.59 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.522 -0.736 . . . . 0.0 109.994 179.448 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.0 m -78.49 -26.4 45.99 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.935 -1.103 . . . . 0.0 109.747 -179.705 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 41.2 t -81.26 103.29 10.94 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.137 -0.977 . . . . 0.0 109.067 -179.912 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -60.36 -31.2 70.1 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.315 -0.866 . . . . 0.0 110.016 -179.745 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -69.56 -40.17 76.95 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.028 -1.045 . . . . 0.0 111.233 -178.587 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 67.9 m -84.6 -26.38 27.95 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 120.771 -1.206 . . . . 0.0 109.493 179.97 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 . . . . . 0 N--CA 1.486 1.341 0 N-CA-C 107.553 -1.277 . . . . 0.0 107.553 179.387 . . . . . . . . 0 0 . 1 . 037 nuclear build core ' B' B ' 1' ' ' PHE . . . . . 0.49 ' O ' HD12 ' B' ' 5' ' ' ILE . 41.8 m-85 . . . . . 0 N--CA 1.494 1.727 0 CA-C-O 121.444 0.64 . . . . 0.0 110.044 . . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 19.7 mt -67.98 -33.15 74.1 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.688 -0.632 . . . . 0.0 111.487 -178.003 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 58.4 t0 -64.16 -55.05 24.55 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.776 -1.202 . . . . 0.0 111.237 -178.865 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.56 -43.03 97.13 Favored Glycine 0 N--CA 1.492 2.387 0 N-CA-C 109.429 -1.469 . . . . 0.0 109.429 -179.685 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 5' ' ' ILE . . . . . 0.49 HD12 ' O ' ' B' ' 1' ' ' PHE . 83.5 mt -59.52 -38.78 77.07 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.701 -0.882 . . . . 0.0 110.726 -179.959 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -56.19 -47.21 78.77 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 120.875 -1.141 . . . . 0.0 108.682 -179.286 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 50.2 mttp -69.06 -40.13 78.69 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.27 -0.894 . . . . 0.0 109.105 179.459 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.34 -35.38 77.68 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.612 -0.68 . . . . 0.0 109.32 179.733 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -58.47 -41.66 85.72 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.227 -0.92 . . . . 0.0 108.632 -179.786 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -60.98 -41.22 96.02 Favored 'General case' 0 N--CA 1.49 1.559 0 C-N-CA 119.405 -0.918 . . . . 0.0 109.292 179.021 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 11.9 tm-20 -60.19 -40.02 88.56 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.063 -1.023 . . . . 0.0 108.582 179.708 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 12' ' ' HIS . . . . . 0.517 ' O ' ' N ' ' B' ' 16' ' ' HIS . 15.3 t60 -63.26 -45.63 90.59 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.333 -0.854 . . . . 0.0 110.267 -179.989 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -61.1 -44.72 96.92 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 120.929 -1.107 . . . . 0.0 110.389 -178.995 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 23.5 mtpp -61.32 -32.51 72.37 Favored 'General case' 0 N--CA 1.491 1.588 0 N-CA-C 112.937 0.717 . . . . 0.0 112.937 -178.744 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -137.72 -5.05 1.76 Allowed 'General case' 0 N--CA 1.505 2.319 0 O-C-N 120.592 -1.318 . . . . 0.0 112.826 -176.833 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.517 ' N ' ' O ' ' B' ' 12' ' ' HIS . 91.8 m-70 53.84 43.28 31.17 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.494 -1.379 . . . . 0.0 107.307 -177.613 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 79.7 p -65.77 154.37 39.25 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.689 -0.632 . . . . 0.0 110.306 -178.846 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 83.8 m-20 -71.74 157.98 36.95 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.3 -0.875 . . . . 0.0 109.035 179.318 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 48.3 p-90 -57.12 -31.63 65.5 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.516 -0.74 . . . . 0.0 110.705 -179.279 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -61.29 -39.92 92.21 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.853 -1.155 . . . . 0.0 108.989 179.669 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.41 -49.58 58.98 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.41 -0.806 . . . . 0.0 109.005 179.771 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 79.3 mtm -60.72 -40.56 92.78 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.974 -1.079 . . . . 0.0 109.086 179.369 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.461 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -57.81 -47.3 83.01 Favored 'General case' 0 C--N 1.303 -1.432 0 C-N-CA 119.465 -0.894 . . . . 0.0 109.308 179.882 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 42.0 m -70.26 -35.63 73.91 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.303 -0.873 . . . . 0.0 110.241 -179.937 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 66.8 t0 -60.69 -42.24 96.76 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.031 -1.043 . . . . 0.0 110.446 -178.791 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -109.46 1.28 19.75 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 121.313 -0.867 . . . . 0.0 110.142 -179.584 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 27' ' ' ASN . . . . . 0.461 ' N ' ' O ' ' B' ' 23' ' ' ALA . 66.5 m-20 55.22 49.88 16.28 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.347 -0.846 . . . . 0.0 109.677 179.985 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 77.0 mt -114.06 152.5 45.85 Favored Pre-proline 0 N--CA 1.502 2.128 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 179.767 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_endo -61.3 144.97 98.84 Favored 'Trans proline' 0 N--CA 1.497 1.734 0 C-N-CA 121.937 1.758 . . . . 0.0 111.769 -179.898 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 30' ' ' PRO . . . . . 0.404 ' O ' ' CG ' ' B' ' 34' ' ' LYS . 38.4 Cg_exo -40.17 -34.5 1.03 Allowed 'Trans proline' 0 N--CA 1.491 1.359 0 C-N-CA 122.302 2.002 . . . . 0.0 112.473 -179.364 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 87.1 t -55.75 -49.81 71.99 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.639 0 O-C-N 121.36 -0.837 . . . . 0.0 110.325 -178.508 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 57.1 t -66.28 -47.79 83.2 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.915 0 C-N-CA 118.56 -1.256 . . . . 0.0 109.538 -179.194 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.97 -44.77 79.65 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.477 -0.764 . . . . 0.0 110.211 -179.801 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.404 ' CG ' ' O ' ' B' ' 30' ' ' PRO . 1.1 mmmp? -60.06 -37.12 78.94 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.032 -1.043 . . . . 0.0 109.735 179.876 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.2 tm-20 -61.08 -39.87 91.55 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.064 -1.023 . . . . 0.0 110.353 -178.883 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 54.4 mt -59.65 -39.69 80.24 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 121.109 -0.994 . . . . 0.0 108.376 -179.834 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 60.2 t -62.65 -39.44 84.68 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 179.372 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.63 -31.84 71.02 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.657 -0.652 . . . . 0.0 110.121 179.195 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 38.0 m -78.73 -26.32 44.68 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.011 -1.056 . . . . 0.0 109.703 -179.593 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 41.5 t -81.38 103.57 11.23 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.426 -0.796 . . . . 0.0 109.503 -179.982 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -60.15 -31.26 69.93 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.3 -0.875 . . . . 0.0 110.289 -179.91 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -69.92 -40.89 75.29 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.894 -1.129 . . . . 0.0 111.187 -178.684 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 70.6 m -84.01 -25.67 29.77 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 120.827 -1.171 . . . . 0.0 109.792 179.959 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 . . . . . 0 N--CA 1.491 1.618 0 N-CA-C 107.436 -1.32 . . . . 0.0 107.436 179.26 . . . . . . . . 0 0 . 1 . 038 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 . . . . . 0 N--CA 1.492 1.652 0 CA-C-O 121.841 0.829 . . . . 0.0 109.858 . . . . . . . . . 0 0 . 1 . 038 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 20.0 mt -69.04 -31.85 70.93 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.572 -0.705 . . . . 0.0 111.155 -177.742 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.506 ' OD1' ' N ' ' A' ' 3' ' ' ASP . 22.0 p-10 -65.82 -57.71 7.31 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.771 -1.205 . . . . 0.0 111.169 -178.759 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.8 -41.74 97.75 Favored Glycine 0 N--CA 1.491 2.313 0 N-CA-C 110.398 -1.081 . . . . 0.0 110.398 -179.089 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.422 HD11 HG11 ' B' ' 31' ' ' VAL . 93.4 mt -60.08 -40.42 83.23 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.799 0 O-C-N 120.939 -1.33 . . . . 0.0 110.409 -179.721 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 61.8 t0 -54.93 -45.87 74.87 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 120.773 -1.205 . . . . 0.0 109.33 -179.135 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 48.1 mtmt -70.1 -41.51 73.94 Favored 'General case' 0 N--CA 1.488 1.455 0 C-N-CA 118.978 -1.089 . . . . 0.0 109.358 179.412 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.98 -36.69 80.45 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.514 -0.742 . . . . 0.0 109.277 179.662 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -57.3 -40.08 77.08 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.345 -0.847 . . . . 0.0 109.777 -179.588 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -63.43 -44.21 95.21 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.093 -1.004 . . . . 0.0 109.32 179.401 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 23.9 tp10 -59.91 -39.94 87.12 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.177 -0.952 . . . . 0.0 108.9 179.288 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.512 ' O ' ' N ' ' A' ' 16' ' ' HIS . 13.0 t60 -60.54 -47.28 86.87 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.218 -0.926 . . . . 0.0 109.897 179.4 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -60.7 -40.38 92.02 Favored 'General case' 0 C--N 1.298 -1.647 0 O-C-N 121.383 -0.823 . . . . 0.0 109.958 -179.21 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -64.03 -30.3 71.38 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.147 -0.971 . . . . 0.0 113.066 -179.089 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -140.59 -7.31 1.13 Allowed 'General case' 0 N--CA 1.506 2.362 0 O-C-N 120.572 -1.33 . . . . 0.0 112.62 -176.999 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.512 ' N ' ' O ' ' A' ' 12' ' ' HIS . 90.3 m-70 55.07 42.38 30.91 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 107.133 -1.432 . . . . 0.0 107.133 -177.559 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 92.1 p -66.52 157.64 31.7 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.652 -0.655 . . . . 0.0 110.476 -178.548 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -71.89 157.59 37.58 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.48 -0.762 . . . . 0.0 109.062 179.669 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 46.0 p-90 -56.42 -30.96 63.45 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.115 -0.991 . . . . 0.0 110.523 -179.563 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -61.37 -40.56 94.76 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.834 -1.166 . . . . 0.0 109.594 179.875 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.65 -48.12 64.82 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.264 -0.897 . . . . 0.0 109.218 -179.591 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 78.3 mtm -62.24 -40.58 96.65 Favored 'General case' 0 C--N 1.301 -1.51 0 C-N-CA 119.63 -0.828 . . . . 0.0 109.942 -179.82 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.504 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -58.69 -45.56 89.18 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.15 -0.969 . . . . 0.0 109.561 -179.628 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 25.5 t -70.2 -36.66 74.76 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.303 -0.873 . . . . 0.0 110.298 -179.637 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -60.36 -42.08 95.01 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.416 -0.802 . . . . 0.0 110.189 -178.893 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -108.87 1.07 20.58 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.528 -0.732 . . . . 0.0 110.31 -179.832 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.504 ' N ' ' O ' ' A' ' 23' ' ' ALA . 95.5 m-20 55.75 49.95 15.2 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.165 -0.959 . . . . 0.0 110.27 179.405 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 77.8 mt -116.11 150.62 45.48 Favored Pre-proline 0 N--CA 1.497 1.907 0 N-CA-C 107.609 -1.256 . . . . 0.0 107.609 179.4 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -60.52 152.97 64.35 Favored 'Trans proline' 0 C--N 1.307 -1.614 0 C-N-CA 121.411 1.407 . . . . 0.0 111.484 -179.667 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -45.55 -37.51 15.25 Favored 'Trans proline' 0 C--N 1.31 -1.467 0 C-N-CA 121.923 1.749 . . . . 0.0 112.053 179.869 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.464 HG11 HD11 ' B' ' 5' ' ' ILE . 60.0 t -53.77 -49.27 58.83 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.792 0 O-C-N 120.837 -1.164 . . . . 0.0 110.685 -178.272 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 58.5 t -66.84 -48.74 78.9 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.768 0 C-N-CA 118.383 -1.327 . . . . 0.0 109.442 -178.581 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.61 -42.16 87.27 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.32 -0.863 . . . . 0.0 110.027 179.689 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.0 mtpm? -62.27 -36.02 80.77 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 120.765 -1.209 . . . . 0.0 109.889 179.715 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.433 ' HG3' HG13 ' B' ' 31' ' ' VAL . 15.5 tm-20 -60.05 -38.63 83.36 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 121.255 -0.903 . . . . 0.0 109.385 -179.008 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 69.0 mt -59.84 -39.89 81.2 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 120.957 -1.089 . . . . 0.0 108.807 179.428 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 92.5 t -63.25 -40.03 87.49 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 178.944 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.04 -30.56 70.39 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.428 -0.795 . . . . 0.0 109.531 179.446 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 64.1 m -81.45 -24.04 37.09 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.181 -0.949 . . . . 0.0 109.692 -179.544 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 42.7 t -85.1 105.78 16.09 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.09 -1.006 . . . . 0.0 109.585 -179.872 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -62.32 -29.91 70.78 Favored 'General case' 0 C--N 1.301 -1.542 0 C-N-CA 120.072 -0.651 . . . . 0.0 109.882 179.907 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -70.45 -41.32 72.98 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.144 -0.973 . . . . 0.0 110.615 -178.922 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 85.0 m -87.24 -25.78 23.82 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 120.861 -1.149 . . . . 0.0 110.356 -179.986 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 . . . . . 0 N--CA 1.498 1.974 0 O-C-N 120.995 -1.065 . . . . 0.0 109.089 -179.043 . . . . . . . . 0 0 . 1 . 038 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 . . . . . 0 N--CA 1.492 1.633 0 CA-C-O 121.821 0.819 . . . . 0.0 109.853 . . . . . . . . . 0 0 . 1 . 038 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 20.3 mt -69.58 -31.06 68.99 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.475 -0.765 . . . . 0.0 110.737 -177.912 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 3' ' ' ASP . . . . . 0.52 ' OD1' ' N ' ' B' ' 3' ' ' ASP . 18.6 p-10 -65.21 -58.39 6.09 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.854 -1.154 . . . . 0.0 111.226 -178.921 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.88 -41.14 97.61 Favored Glycine 0 N--CA 1.499 2.871 0 N-CA-C 110.282 -1.127 . . . . 0.0 110.282 -178.626 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 5' ' ' ILE . . . . . 0.464 HD11 HG11 ' A' ' 31' ' ' VAL . 92.6 mt -60.71 -39.91 83.15 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 O-C-N 121.263 -1.139 . . . . 0.0 110.349 -179.627 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -55.85 -45.23 78.5 Favored 'General case' 0 C--N 1.298 -1.642 0 C-N-CA 118.933 -1.107 . . . . 0.0 108.999 -178.906 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 47.1 mtmt -69.92 -42.24 73.57 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.148 -0.97 . . . . 0.0 109.232 178.941 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.45 -37.32 82.77 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 121.354 -0.841 . . . . 0.0 109.605 -179.954 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 55.4 tt0 -56.73 -41.99 78.44 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.516 -0.74 . . . . 0.0 109.678 -179.402 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -62.57 -42.81 99.78 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.124 -0.985 . . . . 0.0 108.988 179.554 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 28.1 tp10 -60.9 -40.03 91.54 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 120.897 -1.127 . . . . 0.0 108.619 178.934 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 12' ' ' HIS . . . . . 0.531 ' O ' ' N ' ' B' ' 16' ' ' HIS . 12.6 t60 -60.41 -47.36 86.44 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.235 -0.916 . . . . 0.0 109.858 179.806 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -60.26 -40.52 90.62 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.144 -0.973 . . . . 0.0 110.265 -179.717 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp -63.86 -30.44 71.53 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.331 -0.855 . . . . 0.0 112.746 -178.604 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -140.15 -8.94 1.16 Allowed 'General case' 0 N--CA 1.508 2.435 0 O-C-N 120.701 -1.249 . . . . 0.0 112.799 -177.109 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.531 ' N ' ' O ' ' B' ' 12' ' ' HIS . 90.3 m-70 55.77 43.35 27.95 Favored 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 107.175 -1.417 . . . . 0.0 107.175 -177.117 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 95.0 p -68.28 158.87 32.44 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.633 -0.667 . . . . 0.0 110.342 -178.618 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -73.0 157.93 36.45 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.378 -0.826 . . . . 0.0 109.43 179.886 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 43.4 p-90 -56.27 -30.1 62.0 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.338 -0.851 . . . . 0.0 110.653 -179.557 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -62.64 -40.13 96.05 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.067 -1.021 . . . . 0.0 109.665 -179.926 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.08 -48.88 61.57 Favored 'General case' 0 C--N 1.297 -1.702 0 O-C-N 121.516 -0.74 . . . . 0.0 109.151 179.965 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 78.0 mtm -61.61 -40.08 93.55 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.512 -0.743 . . . . 0.0 109.794 -179.943 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.508 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -59.51 -45.47 91.64 Favored 'General case' 0 N--CA 1.49 1.566 0 C-N-CA 119.244 -0.982 . . . . 0.0 109.613 -179.649 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 32.8 t -69.94 -37.26 75.82 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.271 -0.893 . . . . 0.0 110.311 179.798 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -59.43 -41.76 90.29 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.256 -0.902 . . . . 0.0 109.843 -178.836 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -109.71 2.83 20.37 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.275 -0.891 . . . . 0.0 109.959 -179.757 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 27' ' ' ASN . . . . . 0.508 ' N ' ' O ' ' B' ' 23' ' ' ALA . 97.8 m-20 53.35 49.84 18.85 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.294 -0.879 . . . . 0.0 110.089 179.39 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 77.3 mt -115.39 151.47 45.98 Favored Pre-proline 0 N--CA 1.497 1.913 0 N-CA-C 107.437 -1.32 . . . . 0.0 107.437 179.123 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -60.77 153.64 61.16 Favored 'Trans proline' 0 C--N 1.311 -1.429 0 C-N-CA 121.655 1.57 . . . . 0.0 111.664 -179.813 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_exo -46.19 -38.37 19.61 Favored 'Trans proline' 0 C--N 1.312 -1.377 0 C-N-CA 121.776 1.651 . . . . 0.0 111.897 179.619 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.433 HG13 ' HG3' ' A' ' 35' ' ' GLU . 61.4 t -53.0 -49.32 49.84 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.789 0 O-C-N 120.959 -1.088 . . . . 0.0 110.791 -178.653 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 59.9 t -67.21 -48.62 77.86 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.71 0 C-N-CA 118.188 -1.405 . . . . 0.0 109.47 -178.656 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.78 -41.26 87.98 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.087 -1.008 . . . . 0.0 110.057 -179.806 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 10.0 mtpm? -62.48 -36.43 82.48 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.905 -1.122 . . . . 0.0 109.997 179.397 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 35' ' ' GLU . . . . . 0.452 ' HG3' HG13 ' A' ' 31' ' ' VAL . 15.7 tm-20 -59.8 -37.59 79.55 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 120.999 -1.063 . . . . 0.0 109.52 -179.126 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 65.2 mt -59.87 -40.1 81.84 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.103 -0.998 . . . . 0.0 108.803 179.098 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 86.1 t -64.06 -39.7 86.39 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.403 0 N-CA-C 108.493 -0.929 . . . . 0.0 108.493 179.051 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 38' ' ' ALA . . . . . 0.447 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -61.22 -30.05 70.2 Favored 'General case' 0 C--N 1.3 -1.561 0 C-N-CA 119.801 -0.76 . . . . 0.0 109.496 179.534 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 56.0 m -81.53 -23.44 37.26 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.902 -1.124 . . . . 0.0 109.76 -179.962 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 42.4 t -85.65 104.52 15.46 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.182 -0.949 . . . . 0.0 109.776 -179.759 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 58.7 m-20 -60.8 -30.67 70.2 Favored 'General case' 0 C--N 1.299 -1.625 0 O-C-N 121.353 -0.842 . . . . 0.0 110.094 179.884 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -70.15 -42.2 72.85 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.012 -1.055 . . . . 0.0 110.782 -178.791 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 90.2 m -85.87 -24.99 26.46 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.881 -1.137 . . . . 0.0 110.263 -179.716 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 44' ' ' GLN . . . . . 0.447 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 7.0 tt0 . . . . . 0 N--CA 1.493 1.695 0 O-C-N 120.919 -1.113 . . . . 0.0 109.408 -179.277 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.427 ' O ' HD12 ' A' ' 5' ' ' ILE . 62.2 m-85 . . . . . 0 N--CA 1.491 1.606 0 CA-C-O 121.428 0.633 . . . . 0.0 109.744 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 19.3 mt -72.67 -28.96 63.02 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.494 -0.754 . . . . 0.0 111.32 -178.423 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -61.89 -56.63 17.29 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 120.784 -1.198 . . . . 0.0 111.505 -178.415 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.91 -41.81 99.8 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.849 -1.3 . . . . 0.0 109.849 -179.324 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.427 HD12 ' O ' ' A' ' 1' ' ' PHE . 95.2 mt -59.5 -40.04 80.83 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.522 0 O-C-N 121.496 -1.002 . . . . 0.0 110.682 -179.58 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 63.5 t0 -55.35 -49.12 73.07 Favored 'General case' 0 C--N 1.303 -1.418 0 C-N-CA 118.809 -1.156 . . . . 0.0 108.975 -179.285 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 58.8 mttp -69.08 -40.38 78.48 Favored 'General case' 0 C--N 1.302 -1.467 0 C-N-CA 119.077 -1.049 . . . . 0.0 109.313 178.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.22 -37.13 83.09 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.379 -0.826 . . . . 0.0 110.015 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 57.7 tt0 -59.08 -40.21 84.53 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.089 -1.007 . . . . 0.0 109.29 -179.165 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 -61.93 -42.32 98.97 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.004 -1.06 . . . . 0.0 109.102 179.648 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 26.8 tp10 -60.7 -40.54 92.6 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.119 -0.988 . . . . 0.0 108.746 179.438 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.526 ' O ' ' N ' ' A' ' 16' ' ' HIS . 14.4 t60 -59.89 -45.95 90.89 Favored 'General case' 0 C--N 1.304 -1.408 0 C-N-CA 119.37 -0.932 . . . . 0.0 109.711 179.67 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -61.16 -41.49 96.87 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.463 -0.773 . . . . 0.0 110.426 -179.304 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.3 mtpp -61.33 -38.24 86.18 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.366 -0.834 . . . . 0.0 112.7 -178.66 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -134.36 -2.04 2.82 Favored 'General case' 0 N--CA 1.507 2.398 0 O-C-N 120.867 -1.146 . . . . 0.0 112.414 -176.666 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.526 ' N ' ' O ' ' A' ' 12' ' ' HIS . 81.3 m-70 53.85 40.31 31.39 Favored 'General case' 0 N--CA 1.494 1.775 0 N-CA-C 107.214 -1.402 . . . . 0.0 107.214 -177.373 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 89.9 p -60.68 156.33 17.03 Favored 'General case' 0 C--N 1.305 -1.357 0 C-N-CA 120.161 -0.616 . . . . 0.0 110.282 -178.496 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -75.01 161.51 29.4 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.347 -0.846 . . . . 0.0 109.116 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 33.8 p-90 -57.87 -30.15 65.6 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.11 -0.993 . . . . 0.0 110.262 -179.603 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -62.49 -40.14 95.75 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.868 -1.145 . . . . 0.0 110.324 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.82 -48.87 57.38 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.218 -0.926 . . . . 0.0 109.358 -179.702 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 79.3 mtm -60.22 -39.75 87.75 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.386 -0.821 . . . . 0.0 109.852 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -59.15 -46.54 88.1 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.172 -0.955 . . . . 0.0 109.044 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 73.1 m -69.69 -37.39 76.61 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.452 -0.78 . . . . 0.0 110.44 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -60.56 -40.58 92.18 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.23 -0.918 . . . . 0.0 110.612 -178.507 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -111.61 4.99 19.07 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.44 -0.787 . . . . 0.0 109.701 -179.539 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.433 ' N ' ' O ' ' A' ' 23' ' ' ALA . 82.1 m-20 54.58 42.69 31.13 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.508 -0.745 . . . . 0.0 109.823 179.505 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 69.8 mt -107.63 151.45 41.06 Favored Pre-proline 0 N--CA 1.501 2.091 0 N-CA-C 108.493 -0.929 . . . . 0.0 108.493 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_endo -60.07 162.04 17.66 Favored 'Trans proline' 0 N--CA 1.494 1.534 0 C-N-CA 121.781 1.654 . . . . 0.0 111.177 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_endo -56.67 -34.45 95.87 Favored 'Trans proline' 0 C--N 1.303 -1.817 0 C-N-CA 122.233 1.955 . . . . 0.0 111.379 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 55.0 t -54.45 -49.75 63.1 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.633 0 O-C-N 121.054 -1.029 . . . . 0.0 110.171 -179.287 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 93.3 t -66.85 -48.6 79.3 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.745 0 C-N-CA 118.614 -1.234 . . . . 0.0 109.7 -179.195 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.46 -43.27 90.86 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.383 -0.823 . . . . 0.0 110.187 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.7 mtpm? -61.25 -36.99 81.5 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 120.836 -1.165 . . . . 0.0 110.473 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.3 tm-20 -61.77 -38.13 86.89 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 119.025 -1.07 . . . . 0.0 110.371 -178.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 77.5 mt -59.85 -40.23 82.15 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 120.745 -1.222 . . . . 0.0 108.387 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 90.4 t -64.1 -38.33 82.16 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.576 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 178.505 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.403 ' O ' ' OE1' ' A' ' 44' ' ' GLN . . . -60.21 -33.38 72.17 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.488 -0.757 . . . . 0.0 109.851 179.696 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 25.5 m -80.2 -25.92 39.44 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.936 -1.103 . . . . 0.0 109.435 -179.693 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 44.7 t -81.11 103.98 11.28 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.384 -0.822 . . . . 0.0 109.694 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -60.96 -30.88 70.51 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.474 -0.766 . . . . 0.0 110.828 -179.626 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -71.15 -41.19 70.75 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.817 -1.177 . . . . 0.0 110.676 -178.589 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 90.5 m -85.12 -23.53 28.4 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.953 -1.092 . . . . 0.0 109.656 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.403 ' OE1' ' O ' ' A' ' 38' ' ' ALA . 58.6 tt0 -75.08 -68.94 0.5 Allowed 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.235 -0.916 . . . . 0.0 110.144 -179.436 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 65.0 mt -81.83 104.59 12.32 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.152 -0.967 . . . . 0.0 109.571 -179.711 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -101.22 65.96 1.1 Allowed 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.368 -0.832 . . . . 0.0 109.016 179.417 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 60.3 -124.96 37.44 Favored Glycine 0 N--CA 1.493 2.476 0 N-CA-C 109.585 -1.406 . . . . 0.0 109.585 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.555 ' O ' ' N ' ' A' ' 50' ' ' MET . 38.7 tt0 46.52 -113.98 0.48 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.204 -1.174 . . . . 0.0 109.525 179.659 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 49.42 -86.07 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.257 -0.902 . . . . 0.0 110.19 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.555 ' N ' ' O ' ' A' ' 48' ' ' GLU . 57.9 mtt -145.01 -113.26 0.09 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.36 -0.838 . . . . 0.0 109.499 -179.659 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 72.7 t60 53.48 49.7 19.0 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.23 -0.919 . . . . 0.0 108.955 -179.642 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -56.12 -172.66 0.14 Allowed Glycine 0 N--CA 1.49 2.257 0 N-CA-C 109.432 -1.467 . . . . 0.0 109.432 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.432 ' O ' ' O ' ' A' ' 54' ' ' VAL . 82.4 mt-30 -92.24 21.79 4.92 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.191 -1.182 . . . . 0.0 109.031 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.432 ' O ' ' O ' ' A' ' 53' ' ' GLN . 2.7 t 58.53 156.4 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 O-C-N 121.64 -0.662 . . . . 0.0 109.519 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 55.8 t0 . . . . . 0 N--CA 1.493 1.686 0 CA-C-O 118.056 -0.973 . . . . 0.0 109.576 -179.777 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' PHE . . . . . 0.459 ' O ' HD12 ' B' ' 5' ' ' ILE . 62.5 m-85 . . . . . 0 N--CA 1.492 1.631 0 CA-C-O 121.531 0.681 . . . . 0.0 109.861 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 20.8 mt -72.9 -28.51 62.52 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.39 -0.819 . . . . 0.0 111.148 -178.328 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -62.21 -56.97 13.35 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 120.765 -1.21 . . . . 0.0 111.51 -178.337 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.76 -41.28 99.87 Favored Glycine 0 N--CA 1.493 2.477 0 N-CA-C 109.847 -1.301 . . . . 0.0 109.847 -179.443 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.459 HD12 ' O ' ' B' ' 1' ' ' PHE . 93.6 mt -60.21 -39.94 82.15 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.598 0 O-C-N 121.387 -1.067 . . . . 0.0 110.633 -179.557 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 66.0 t0 -55.1 -49.15 72.43 Favored 'General case' 0 C--N 1.301 -1.538 0 C-N-CA 118.861 -1.136 . . . . 0.0 108.845 -179.195 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 58.6 mttp -69.59 -39.8 77.08 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.093 -1.005 . . . . 0.0 109.275 179.094 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.52 -37.36 82.66 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.456 -0.777 . . . . 0.0 109.905 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' GLN . . . . . 0.427 ' N ' ' O ' ' B' ' 5' ' ' ILE . 58.3 tt0 -59.06 -39.68 82.8 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.071 -1.018 . . . . 0.0 109.573 -179.007 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 78.4 tt0 -62.27 -42.91 99.75 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.152 -0.968 . . . . 0.0 108.827 179.559 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 26.4 tp10 -60.0 -40.43 89.2 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.253 -0.904 . . . . 0.0 108.867 179.253 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' HIS . . . . . 0.554 ' O ' ' N ' ' B' ' 16' ' ' HIS . 14.0 t60 -60.23 -45.6 92.67 Favored 'General case' 0 C--N 1.305 -1.365 0 C-N-CA 119.295 -0.962 . . . . 0.0 109.614 179.731 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.15 -41.98 97.73 Favored 'General case' 0 C--N 1.296 -1.738 0 O-C-N 121.414 -0.804 . . . . 0.0 110.313 -179.129 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 26.3 mtpp -61.09 -37.95 84.52 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.459 -0.776 . . . . 0.0 112.911 -178.66 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -134.63 -2.2 2.72 Favored 'General case' 0 N--CA 1.506 2.331 0 O-C-N 120.984 -1.073 . . . . 0.0 112.361 -176.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.554 ' N ' ' O ' ' B' ' 12' ' ' HIS . 81.7 m-70 54.09 40.46 31.67 Favored 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 107.14 -1.43 . . . . 0.0 107.14 -177.451 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 87.1 p -60.81 156.26 17.56 Favored 'General case' 0 C--N 1.303 -1.425 0 C-N-CA 119.966 -0.694 . . . . 0.0 110.314 -178.266 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -74.59 160.96 30.18 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.459 -0.775 . . . . 0.0 109.08 179.663 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 34.6 p-90 -57.4 -30.51 64.99 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.034 -1.041 . . . . 0.0 110.266 -179.629 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -61.92 -40.45 95.54 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.987 -1.071 . . . . 0.0 110.266 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.82 -48.75 57.83 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.176 -0.953 . . . . 0.0 109.591 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 79.0 mtm -60.55 -39.73 88.98 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.318 -0.864 . . . . 0.0 109.665 -179.707 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.435 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -59.45 -46.0 90.01 Favored 'General case' 0 N--CA 1.491 1.592 0 C-N-CA 119.328 -0.949 . . . . 0.0 109.114 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 73.1 m -69.81 -37.43 76.26 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.409 -0.807 . . . . 0.0 110.428 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -60.46 -40.33 90.84 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.431 -0.793 . . . . 0.0 110.767 -178.609 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -111.76 5.0 18.84 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.516 -0.74 . . . . 0.0 109.847 -179.542 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.435 ' N ' ' O ' ' B' ' 23' ' ' ALA . 81.1 m-20 54.52 42.32 31.4 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.508 -0.745 . . . . 0.0 109.859 179.602 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 68.4 mt -107.24 151.18 40.72 Favored Pre-proline 0 N--CA 1.502 2.152 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 179.591 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_endo -60.02 162.03 17.54 Favored 'Trans proline' 0 N--CA 1.493 1.487 0 C-N-CA 121.862 1.708 . . . . 0.0 111.185 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_endo -56.39 -34.58 94.74 Favored 'Trans proline' 0 C--N 1.304 -1.777 0 C-N-CA 122.243 1.962 . . . . 0.0 111.43 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 55.7 t -54.41 -49.36 65.45 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.646 0 O-C-N 121.192 -0.943 . . . . 0.0 110.057 -179.201 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 92.6 t -67.39 -48.74 76.56 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.756 0 C-N-CA 118.633 -1.227 . . . . 0.0 109.644 -179.196 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.52 -42.92 91.48 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.383 -0.823 . . . . 0.0 110.278 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 10.7 mtpm? -61.41 -36.96 81.76 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.864 -1.148 . . . . 0.0 110.461 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 14.7 tm-20 -61.58 -38.62 88.19 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 120.952 -1.092 . . . . 0.0 110.349 -178.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 79.2 mt -59.25 -40.59 81.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 120.683 -1.261 . . . . 0.0 108.248 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 88.9 t -63.94 -38.64 82.91 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.587 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 178.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 38' ' ' ALA . . . . . 0.553 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -59.96 -33.48 71.98 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.551 -0.718 . . . . 0.0 109.798 179.607 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 25.4 m -80.18 -25.99 39.47 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.981 -1.074 . . . . 0.0 109.395 -179.611 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 47.4 t -81.12 104.51 11.65 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.335 -0.853 . . . . 0.0 109.667 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -61.37 -30.66 70.67 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.384 -0.822 . . . . 0.0 110.825 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 65.0 mttm -71.1 -40.97 71.19 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.647 -1.283 . . . . 0.0 110.76 -178.702 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 89.8 m -85.36 -23.7 27.91 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.922 -1.112 . . . . 0.0 109.645 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 44' ' ' GLN . . . . . 0.553 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 7.1 tt0 -74.92 -69.0 0.49 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.124 -0.985 . . . . 0.0 110.014 -179.383 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 62.5 mt -81.77 104.45 12.17 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.025 -1.047 . . . . 0.0 109.652 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -101.25 66.39 1.11 Allowed 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.372 -0.83 . . . . 0.0 109.158 179.421 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 60.27 -125.67 39.36 Favored Glycine 0 N--CA 1.494 2.526 0 N-CA-C 109.378 -1.489 . . . . 0.0 109.378 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 48' ' ' GLU . . . . . 0.543 ' O ' ' N ' ' B' ' 50' ' ' MET . 38.2 tt0 47.02 -114.74 0.56 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.165 -1.197 . . . . 0.0 109.502 179.549 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . 50.16 -87.49 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.257 -0.902 . . . . 0.0 110.121 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 50' ' ' MET . . . . . 0.543 ' N ' ' O ' ' B' ' 48' ' ' GLU . 58.5 mtt -143.92 -113.64 0.1 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.307 -0.871 . . . . 0.0 109.344 -179.657 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 71.0 t60 53.95 49.63 18.55 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.251 -0.906 . . . . 0.0 109.046 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -56.33 -171.56 0.13 Allowed Glycine 0 N--CA 1.489 2.17 0 N-CA-C 109.316 -1.514 . . . . 0.0 109.316 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 53' ' ' GLN . . . . . 0.414 ' O ' ' O ' ' B' ' 54' ' ' VAL . 82.7 mt-30 -93.27 21.72 5.78 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.198 -1.178 . . . . 0.0 109.011 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.414 ' O ' ' O ' ' B' ' 53' ' ' GLN . 2.8 t 58.77 157.19 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.704 -0.622 . . . . 0.0 109.475 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 57.0 t0 . . . . . 0 N--CA 1.491 1.611 0 O-C-N 121.078 -1.014 . . . . 0.0 109.394 179.992 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 . . . . . 0 N--CA 1.487 1.414 0 CA-C-O 121.599 0.714 . . . . 0.0 109.686 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 33.7 mt -70.48 -38.5 74.4 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.466 -0.771 . . . . 0.0 111.367 -178.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -63.27 -46.96 84.37 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.744 -1.222 . . . . 0.0 110.274 -178.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.13 -47.53 72.14 Favored Glycine 0 N--CA 1.492 2.418 0 N-CA-C 109.651 -1.379 . . . . 0.0 109.651 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.547 HD11 HG11 ' B' ' 31' ' ' VAL . 81.6 mt -59.4 -39.78 79.96 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.71 0 O-C-N 121.61 -0.936 . . . . 0.0 111.14 -179.609 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -53.97 -46.7 71.73 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.723 -1.235 . . . . 0.0 109.148 -179.174 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -69.51 -43.23 73.5 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 120.884 -1.135 . . . . 0.0 109.726 178.608 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.31 -35.32 79.2 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.16 -0.963 . . . . 0.0 109.95 179.71 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -59.46 -39.66 84.35 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.142 -0.974 . . . . 0.0 109.256 -179.625 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -60.96 -40.86 94.94 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.199 -0.938 . . . . 0.0 109.051 179.025 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.4 tm-20 -61.71 -42.23 98.67 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.365 -0.834 . . . . 0.0 109.251 179.518 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.552 ' O ' ' N ' ' A' ' 16' ' ' HIS . 22.2 t60 -60.45 -45.51 93.43 Favored 'General case' 0 N--CA 1.486 1.362 0 O-C-N 121.086 -1.009 . . . . 0.0 109.747 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.13 -44.13 95.15 Favored 'General case' 0 C--N 1.298 -1.672 0 O-C-N 121.221 -0.924 . . . . 0.0 110.327 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.7 mtpp -62.11 -32.87 73.49 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.2 -0.938 . . . . 0.0 112.953 -178.594 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 27.4 m-85 -139.21 -1.65 1.72 Allowed 'General case' 0 N--CA 1.508 2.429 0 O-C-N 120.624 -1.298 . . . . 0.0 112.464 -177.105 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.552 ' N ' ' O ' ' A' ' 12' ' ' HIS . 89.7 m-70 54.76 39.71 31.52 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.498 -1.377 . . . . 0.0 107.317 -178.026 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 95.6 p -60.2 156.49 15.23 Favored 'General case' 0 C--N 1.303 -1.441 0 CA-C-O 121.39 0.614 . . . . 0.0 110.732 -178.54 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 -74.1 155.88 38.0 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 179.727 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 39.5 p-90 -56.2 -29.83 61.46 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.958 -1.089 . . . . 0.0 109.561 -179.484 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 55.9 mtp180 -62.86 -40.23 96.85 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.834 -1.166 . . . . 0.0 109.868 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.21 -48.59 61.59 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.172 -0.955 . . . . 0.0 108.964 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 77.1 mtm -59.97 -41.46 92.02 Favored 'General case' 0 N--CA 1.49 1.53 0 C-N-CA 119.43 -0.908 . . . . 0.0 109.237 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -58.11 -46.0 86.31 Favored 'General case' 0 C--N 1.297 -1.701 0 C-N-CA 118.864 -1.134 . . . . 0.0 109.56 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 18.6 t -70.65 -38.02 73.78 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.345 -0.847 . . . . 0.0 111.212 -179.313 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -59.64 -43.05 93.99 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.075 -1.016 . . . . 0.0 109.907 -178.46 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -107.25 1.22 23.76 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.6 -0.687 . . . . 0.0 110.378 -179.493 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.453 ' N ' ' O ' ' A' ' 23' ' ' ALA . 66.9 t30 55.45 52.14 11.74 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.152 -0.967 . . . . 0.0 110.138 179.225 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 90.4 mt -118.61 150.59 48.46 Favored Pre-proline 0 N--CA 1.498 1.969 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 179.567 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_endo -59.97 149.27 85.08 Favored 'Trans proline' 0 N--CA 1.493 1.462 0 C-N-CA 121.934 1.756 . . . . 0.0 112.053 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.502 ' O ' ' N ' ' A' ' 34' ' ' LYS . 31.6 Cg_exo -43.24 -35.78 5.54 Favored 'Trans proline' 0 N--CA 1.486 1.047 0 C-N-CA 121.767 1.645 . . . . 0.0 112.029 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.59 HG11 HD11 ' B' ' 5' ' ' ILE . 88.8 t -52.8 -50.33 43.18 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.863 0 O-C-N 121.302 -0.874 . . . . 0.0 110.146 -178.099 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 47.4 t -67.1 -49.76 70.2 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.669 0 C-N-CA 118.578 -1.249 . . . . 0.0 109.495 -178.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.71 -41.87 91.81 Favored 'General case' 0 C--N 1.303 -1.448 0 C-N-CA 119.631 -0.828 . . . . 0.0 109.798 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.502 ' N ' ' O ' ' A' ' 30' ' ' PRO . 1.9 mmmp? -61.77 -38.11 86.82 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.005 -1.059 . . . . 0.0 110.233 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.6 tm-20 -61.15 -38.32 86.02 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 120.895 -1.128 . . . . 0.0 109.337 -178.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 81.2 mt -59.88 -39.88 81.25 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.342 0 O-C-N 121.092 -1.005 . . . . 0.0 109.678 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 71.2 t -63.43 -39.92 87.11 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.465 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 179.488 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.401 ' O ' ' OE1' ' A' ' 44' ' ' GLN . . . -61.1 -30.61 70.46 Favored 'General case' 0 C--N 1.301 -1.522 0 CA-C-O 121.378 0.609 . . . . 0.0 110.288 179.41 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.1 m -80.85 -20.5 42.24 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 120.824 -1.173 . . . . 0.0 109.965 -178.725 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 43.7 t -85.03 107.12 17.0 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.365 -0.834 . . . . 0.0 109.212 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -60.05 -32.59 71.07 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.348 -0.845 . . . . 0.0 110.259 -179.606 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 58.5 mttm -70.9 -42.91 69.35 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 120.989 -1.069 . . . . 0.0 110.935 -178.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 94.0 m -86.34 -23.68 26.13 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.447 -1.408 . . . . 0.0 109.754 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.401 ' OE1' ' O ' ' A' ' 38' ' ' ALA . 13.9 tt0 -78.52 -71.82 0.41 Allowed 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.157 -0.965 . . . . 0.0 109.193 -179.526 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 32.5 mt -81.93 94.73 7.18 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.585 -1.322 . . . . 0.0 109.214 179.333 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 63.7 mttm -89.11 9.81 24.11 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.432 -0.792 . . . . 0.0 109.218 179.389 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.07 30.55 22.64 Favored Glycine 0 N--CA 1.497 2.73 0 N-CA-C 109.794 -1.322 . . . . 0.0 109.794 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -81.82 -8.92 59.73 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.252 -1.146 . . . . 0.0 110.585 -179.264 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.694 ' HB3' ' HB3' ' B' ' 49' ' ' ALA . . . -101.8 59.69 0.86 Allowed 'General case' 0 N--CA 1.504 2.23 0 O-C-N 121.088 -1.007 . . . . 0.0 110.28 -179.681 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 64.0 mtt -74.94 129.29 37.39 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.136 -0.977 . . . . 0.0 109.938 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 76.9 t60 -59.58 -44.12 93.42 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.225 -0.922 . . . . 0.0 109.252 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 135.11 162.17 9.65 Favored Glycine 0 N--CA 1.495 2.584 0 N-CA-C 108.428 -1.869 . . . . 0.0 108.428 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.414 ' O ' ' O ' ' A' ' 54' ' ' VAL . 13.7 pt20 -90.38 15.47 10.55 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.091 -1.24 . . . . 0.0 109.65 -179.792 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.414 ' O ' ' O ' ' A' ' 53' ' ' GLN . 8.8 t 56.84 164.65 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.484 -0.76 . . . . 0.0 109.839 179.252 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 61.6 t0 . . . . . 0 N--CA 1.495 1.811 0 CA-C-O 118.187 -0.911 . . . . 0.0 109.884 -179.066 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 121.319 0.581 . . . . 0.0 109.942 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 34.7 mt -70.54 -37.6 74.07 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.367 -0.833 . . . . 0.0 111.583 -178.551 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -63.94 -46.32 85.25 Favored 'General case' 0 C--N 1.298 -1.632 0 O-C-N 120.838 -1.164 . . . . 0.0 110.371 -178.517 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.49 -47.32 63.39 Favored Glycine 0 N--CA 1.492 2.418 0 N-CA-C 109.469 -1.452 . . . . 0.0 109.469 -179.693 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.59 HD11 HG11 ' A' ' 31' ' ' VAL . 82.3 mt -59.01 -39.35 78.12 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.559 0 O-C-N 121.557 -0.967 . . . . 0.0 110.331 179.791 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 79.5 m-20 -54.2 -47.52 72.0 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 118.424 -1.31 . . . . 0.0 108.951 -179.108 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -69.36 -41.69 76.24 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.904 -1.122 . . . . 0.0 110.051 179.31 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.7 -35.44 77.19 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.067 -1.021 . . . . 0.0 109.582 179.484 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' GLN . . . . . 0.409 ' N ' ' O ' ' B' ' 5' ' ' ILE . 55.3 tt0 -57.83 -40.67 80.59 Favored 'General case' 0 C--N 1.302 -1.458 0 C-N-CA 119.171 -1.012 . . . . 0.0 109.237 -179.581 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -60.16 -42.0 93.97 Favored 'General case' 0 N--CA 1.491 1.575 0 C-N-CA 119.602 -0.839 . . . . 0.0 109.154 178.58 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -60.51 -41.36 94.18 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 120.774 -1.204 . . . . 0.0 109.215 179.748 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' HIS . . . . . 0.536 ' O ' ' N ' ' B' ' 16' ' ' HIS . 20.6 t60 -60.9 -46.22 91.5 Favored 'General case' 0 C--N 1.3 -1.55 0 C-N-CA 119.404 -0.919 . . . . 0.0 110.083 -179.673 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -60.22 -41.14 92.42 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.229 -0.919 . . . . 0.0 110.329 -179.309 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' LYS . . . . . 0.403 ' HB3' ' CE2' ' B' ' 15' ' ' TYR . 26.1 mtpp -64.34 -33.03 74.91 Favored 'General case' 0 C--N 1.297 -1.682 0 O-C-N 121.303 -0.873 . . . . 0.0 112.859 -178.55 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 15' ' ' TYR . . . . . 0.403 ' CE2' ' HB3' ' B' ' 14' ' ' LYS . 31.7 m-85 -139.62 -1.92 1.61 Allowed 'General case' 0 N--CA 1.508 2.46 0 O-C-N 120.764 -1.21 . . . . 0.0 112.383 -176.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.536 ' N ' ' O ' ' B' ' 12' ' ' HIS . 90.0 m-70 55.31 40.81 31.6 Favored 'General case' 0 N--CA 1.491 1.582 0 N-CA-C 106.932 -1.507 . . . . 0.0 106.932 -178.076 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 92.8 p -61.08 155.35 20.62 Favored 'General case' 0 N--CA 1.492 1.664 0 CA-C-O 121.581 0.705 . . . . 0.0 110.576 -178.656 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 -73.21 157.57 36.89 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.484 -0.76 . . . . 0.0 108.981 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 46.0 p-90 -57.31 -29.89 64.29 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.837 -1.164 . . . . 0.0 109.535 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 55.6 mtp180 -61.97 -40.44 95.6 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.015 -1.053 . . . . 0.0 109.829 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.44 -48.49 60.77 Favored 'General case' 0 C--N 1.302 -1.493 0 C-N-CA 119.253 -0.979 . . . . 0.0 109.282 179.755 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 78.5 mtm -60.44 -40.84 92.56 Favored 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 119.441 -0.903 . . . . 0.0 109.746 -179.188 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -59.05 -45.98 89.4 Favored 'General case' 0 C--N 1.295 -1.797 0 O-C-N 120.992 -1.067 . . . . 0.0 109.539 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 23.2 t -70.38 -38.84 74.8 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.181 -0.95 . . . . 0.0 110.685 -179.534 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -58.91 -42.27 89.25 Favored 'General case' 0 N--CA 1.494 1.741 0 C-N-CA 119.468 -0.893 . . . . 0.0 110.334 -178.356 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -107.89 1.1 22.47 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.422 -0.799 . . . . 0.0 109.997 -179.599 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.444 ' N ' ' O ' ' B' ' 23' ' ' ALA . 67.1 t30 55.8 53.12 9.79 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.126 -0.983 . . . . 0.0 110.083 179.74 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 86.6 mt -119.37 151.42 51.24 Favored Pre-proline 0 N--CA 1.501 2.081 0 N-CA-C 108.188 -1.041 . . . . 0.0 108.188 179.391 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_endo -60.69 150.71 80.96 Favored 'Trans proline' 0 N--CA 1.493 1.447 0 C-N-CA 121.781 1.654 . . . . 0.0 111.933 -179.353 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 30' ' ' PRO . . . . . 0.5 ' O ' ' N ' ' B' ' 34' ' ' LYS . 34.0 Cg_exo -43.81 -35.7 7.1 Favored 'Trans proline' 0 C--N 1.312 -1.369 0 C-N-CA 121.861 1.707 . . . . 0.0 111.722 179.612 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.547 HG11 HD11 ' A' ' 5' ' ' ILE . 86.0 t -53.02 -50.67 43.73 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.731 0 O-C-N 121.142 -0.974 . . . . 0.0 110.454 -178.072 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 46.5 t -67.25 -49.3 73.65 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.642 0 C-N-CA 118.947 -1.101 . . . . 0.0 109.118 -179.131 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.86 -42.86 89.87 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.029 -1.044 . . . . 0.0 110.15 179.732 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.5 ' N ' ' O ' ' B' ' 30' ' ' PRO . 2.0 mmmp? -61.56 -38.76 88.64 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 120.987 -1.07 . . . . 0.0 110.207 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 14.6 tm-20 -60.19 -38.32 82.9 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 119.07 -1.052 . . . . 0.0 109.115 -179.036 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 86.3 mt -59.88 -40.27 82.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 120.965 -1.085 . . . . 0.0 109.698 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 77.9 t -62.99 -39.44 85.21 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.658 0 O-C-N 120.93 -1.106 . . . . 0.0 108.673 179.546 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 38' ' ' ALA . . . . . 0.412 ' O ' ' OE1' ' B' ' 44' ' ' GLN . . . -61.81 -32.1 72.38 Favored 'General case' 0 N--CA 1.49 1.551 0 CA-C-O 121.404 0.621 . . . . 0.0 109.591 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 6.3 m -78.09 -23.98 47.77 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.153 -0.967 . . . . 0.0 110.356 -179.01 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 40.4 t -82.94 107.3 15.45 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.1 -1.0 . . . . 0.0 109.841 179.653 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -59.97 -31.31 69.77 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.388 -0.82 . . . . 0.0 110.798 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 62.7 mttm -72.16 -40.75 67.75 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 120.898 -1.126 . . . . 0.0 110.776 -178.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 84.3 m -89.0 -23.47 22.61 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 120.774 -1.203 . . . . 0.0 109.333 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 44' ' ' GLN . . . . . 0.412 ' OE1' ' O ' ' B' ' 38' ' ' ALA . 15.0 tt0 -77.4 -69.5 0.53 Allowed 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.333 -0.854 . . . . 0.0 109.645 -179.726 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 31.9 mt -84.83 96.08 9.19 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.118 -0.989 . . . . 0.0 108.948 179.7 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 63.0 mttm -89.8 8.96 29.26 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.097 -1.002 . . . . 0.0 109.451 179.214 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.04 31.5 17.2 Favored Glycine 0 N--CA 1.501 2.988 0 N-CA-C 109.425 -1.47 . . . . 0.0 109.425 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -83.67 -5.71 59.25 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.396 -1.061 . . . . 0.0 110.459 -179.27 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 49' ' ' ALA . . . . . 0.694 ' HB3' ' HB3' ' A' ' 49' ' ' ALA . . . -104.57 59.3 0.7 Allowed 'General case' 0 N--CA 1.502 2.141 0 O-C-N 121.137 -0.977 . . . . 0.0 109.581 -179.45 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 61.9 mtt -75.73 131.13 39.64 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.068 -1.02 . . . . 0.0 110.262 -179.479 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 75.2 t60 -62.16 -42.18 99.01 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.091 -1.006 . . . . 0.0 109.218 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 133.68 162.67 10.14 Favored Glycine 0 N--CA 1.493 2.496 0 N-CA-C 108.34 -1.904 . . . . 0.0 108.34 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 53' ' ' GLN . . . . . 0.406 ' O ' ' O ' ' B' ' 54' ' ' VAL . 12.2 pt20 -91.11 15.85 10.9 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.466 -1.02 . . . . 0.0 109.498 -179.787 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.406 ' O ' ' O ' ' B' ' 53' ' ' GLN . 12.5 t 56.76 164.3 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.617 -0.677 . . . . 0.0 110.356 179.576 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.405 ' N ' HG12 ' B' ' 54' ' ' VAL . 61.0 t0 . . . . . 0 N--CA 1.494 1.728 0 CA-C-O 118.176 -0.916 . . . . 0.0 109.66 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 . . . . . 0 N--CA 1.491 1.586 0 CA-C-O 121.358 0.599 . . . . 0.0 110.173 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 33.1 mt -72.47 -43.46 63.68 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.269 -0.894 . . . . 0.0 111.463 -177.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -66.9 -48.26 69.26 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.989 -1.069 . . . . 0.0 111.06 -178.126 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.75 -47.34 90.95 Favored Glycine 0 N--CA 1.494 2.5 0 N-CA-C 109.892 -1.283 . . . . 0.0 109.892 -179.294 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.659 HD11 HG11 ' B' ' 31' ' ' VAL . 87.1 mt -59.24 -39.87 79.82 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.511 0 O-C-N 121.345 -1.091 . . . . 0.0 110.116 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 -53.59 -43.6 68.71 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 120.81 -1.181 . . . . 0.0 109.097 -179.31 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -69.7 -45.28 68.61 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.965 -1.084 . . . . 0.0 108.985 178.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.33 -33.83 76.61 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.39 -0.819 . . . . 0.0 109.304 179.418 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.492 ' N ' ' O ' ' A' ' 5' ' ' ILE . 53.0 tt0 -58.71 -40.08 82.66 Favored 'General case' 0 C--N 1.302 -1.485 0 C-N-CA 119.367 -0.933 . . . . 0.0 109.158 -179.72 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 34.4 tp10 -62.34 -42.13 99.14 Favored 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 119.281 -0.968 . . . . 0.0 108.734 179.141 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 35.6 tp10 -60.49 -41.84 95.08 Favored 'General case' 0 N--CA 1.492 1.643 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 179.408 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.545 ' O ' ' N ' ' A' ' 16' ' ' HIS . 15.0 t60 -60.88 -47.8 84.72 Favored 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 119.705 -0.798 . . . . 0.0 109.909 179.635 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 32.9 tp10 -60.41 -41.35 93.73 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.287 -0.883 . . . . 0.0 110.029 -179.024 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 56.5 mtpt -60.73 -35.81 77.29 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.326 -0.859 . . . . 0.0 112.753 -178.757 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -136.38 -3.86 2.13 Favored 'General case' 0 N--CA 1.508 2.473 0 O-C-N 120.772 -1.205 . . . . 0.0 112.759 -177.29 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.545 ' N ' ' O ' ' A' ' 12' ' ' HIS . 87.5 m-70 54.54 43.61 30.01 Favored 'General case' 0 N--CA 1.498 1.955 0 N-CA-C 107.421 -1.326 . . . . 0.0 107.421 -177.432 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 87.3 p -64.95 155.31 34.85 Favored 'General case' 0 N--CA 1.486 1.331 0 CA-C-O 121.611 0.719 . . . . 0.0 110.626 -178.759 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -71.15 159.13 35.24 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.22 -0.925 . . . . 0.0 108.679 179.338 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 37.8 p-90 -56.91 -29.83 63.4 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.005 -1.059 . . . . 0.0 111.214 -178.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 62.1 mtp180 -61.56 -40.8 96.02 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.889 -1.132 . . . . 0.0 110.334 -179.635 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.54 -49.06 65.07 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.155 -0.965 . . . . 0.0 109.389 -179.602 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 78.3 mtm -60.23 -41.13 92.45 Favored 'General case' 0 C--N 1.303 -1.452 0 C-N-CA 119.588 -0.845 . . . . 0.0 109.386 179.73 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.51 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -58.76 -47.07 85.97 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.413 -0.804 . . . . 0.0 108.964 179.799 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 35.7 t -69.71 -38.22 76.84 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.594 -0.691 . . . . 0.0 110.464 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -60.59 -40.07 90.4 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.23 -0.919 . . . . 0.0 110.014 -179.012 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -108.93 -0.06 19.88 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.435 -0.79 . . . . 0.0 109.871 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.51 ' N ' ' O ' ' A' ' 23' ' ' ALA . 18.4 t-20 56.21 47.44 19.38 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.277 -0.889 . . . . 0.0 109.264 -179.802 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 83.4 mt -113.64 153.04 45.93 Favored Pre-proline 0 N--CA 1.501 2.086 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -60.13 163.27 14.69 Favored 'Trans proline' 0 C--N 1.314 -1.261 0 C-N-CA 121.449 1.433 . . . . 0.0 110.819 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -58.96 -32.23 97.1 Favored 'Trans proline' 0 C--N 1.296 -2.2 0 C-N-CA 122.223 1.949 . . . . 0.0 111.743 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.613 HG11 HD11 ' B' ' 5' ' ' ILE . 49.3 t -56.56 -47.71 81.57 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.693 0 O-C-N 120.715 -1.241 . . . . 0.0 109.858 -178.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 57.8 t -67.46 -50.13 64.76 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.688 0 C-N-CA 118.852 -1.139 . . . . 0.0 108.976 -179.326 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.39 -46.15 84.55 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.328 -0.857 . . . . 0.0 110.301 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.2 mtpm? -60.88 -36.1 78.34 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.776 -1.203 . . . . 0.0 109.88 179.604 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -60.87 -38.66 86.35 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 119.062 -1.055 . . . . 0.0 110.358 -178.696 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 48.3 mt -59.86 -39.97 81.48 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 120.921 -1.112 . . . . 0.0 108.335 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 95.5 t -61.18 -39.92 84.12 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 178.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.79 -32.05 70.26 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.54 -0.725 . . . . 0.0 109.775 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.9 m -78.88 -29.1 44.21 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.194 -0.941 . . . . 0.0 109.229 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 51.2 t -81.19 102.09 10.1 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.21 -0.931 . . . . 0.0 109.447 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -60.89 -31.24 70.73 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.213 -0.929 . . . . 0.0 110.213 -179.551 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp -67.86 -40.76 83.6 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.283 -0.886 . . . . 0.0 110.401 -178.496 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 88.4 m -86.67 -28.72 22.98 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.757 -1.215 . . . . 0.0 110.153 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 47.2 tt0 -72.07 -59.52 2.7 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.002 -1.061 . . . . 0.0 110.867 -178.428 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 92.0 mt -80.93 36.87 0.41 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.233 -0.917 . . . . 0.0 109.975 -178.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.441 ' O ' ' O ' ' A' ' 47' ' ' GLY . 51.7 tttp -81.88 116.51 21.57 Favored 'General case' 0 C--N 1.297 -1.674 0 O-C-N 121.299 -0.875 . . . . 0.0 109.453 -179.522 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.441 ' O ' ' O ' ' A' ' 46' ' ' LYS . . . 57.67 154.66 0.01 OUTLIER Glycine 0 N--CA 1.493 2.442 0 N-CA-C 110.257 -1.137 . . . . 0.0 110.257 179.648 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.4 mp0 57.46 44.14 21.84 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.495 -1.003 . . . . 0.0 110.196 179.359 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -128.65 -87.48 0.55 Allowed 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.469 -0.769 . . . . 0.0 109.114 179.715 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 56.2 mtt -79.66 139.01 37.54 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.093 -1.004 . . . . 0.0 109.644 -179.631 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 51.5 t-80 -58.49 -38.45 77.67 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.155 -0.965 . . . . 0.0 108.975 179.448 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.449 ' O ' ' O ' ' A' ' 53' ' ' GLN . . . 76.72 -152.16 40.47 Favored Glycine 0 N--CA 1.491 2.353 0 N-CA-C 110.48 -1.048 . . . . 0.0 110.48 179.253 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.449 ' O ' ' O ' ' A' ' 52' ' ' GLY . 90.7 mt-30 55.44 113.57 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.728 -0.866 . . . . 0.0 110.35 -179.711 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.681 HG13 ' N ' ' A' ' 55' ' ' ASP . 0.4 OUTLIER 69.5 -170.76 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.807 0 O-C-N 121.566 -0.709 . . . . 0.0 109.089 -179.804 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.681 ' N ' HG13 ' A' ' 54' ' ' VAL . 47.3 t0 . . . . . 0 C--N 1.299 -1.595 0 CA-C-O 118.021 -0.99 . . . . 0.0 109.564 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 . . . . . 0 N--CA 1.49 1.561 0 CA-C-O 121.379 0.609 . . . . 0.0 110.169 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 30.7 mt -72.27 -43.84 63.7 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.323 -0.86 . . . . 0.0 111.558 -178.032 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -66.65 -47.73 71.61 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.837 -1.164 . . . . 0.0 111.112 -178.101 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.33 -47.27 90.82 Favored Glycine 0 N--CA 1.492 2.419 0 N-CA-C 109.918 -1.273 . . . . 0.0 109.918 -179.247 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.613 HD11 HG11 ' A' ' 31' ' ' VAL . 86.8 mt -59.55 -39.05 78.34 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.516 0 O-C-N 121.595 -0.944 . . . . 0.0 110.209 -179.775 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -53.88 -43.44 69.61 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 120.682 -1.261 . . . . 0.0 109.243 -179.537 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -69.79 -45.1 68.72 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.072 -1.017 . . . . 0.0 108.983 179.124 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.3 -34.38 77.85 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.444 -0.785 . . . . 0.0 109.14 179.638 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -58.52 -40.3 82.51 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.277 -0.89 . . . . 0.0 109.075 -179.683 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 36.0 tp10 -62.06 -42.36 99.11 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.036 -1.04 . . . . 0.0 108.857 178.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 33.7 tp10 -60.77 -41.52 95.66 Favored 'General case' 0 N--CA 1.491 1.576 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 179.488 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' HIS . . . . . 0.56 ' O ' ' N ' ' B' ' 16' ' ' HIS . 14.9 t60 -60.82 -48.28 82.54 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.294 -0.879 . . . . 0.0 109.988 179.379 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 33.4 tp10 -60.11 -41.63 92.98 Favored 'General case' 0 C--N 1.297 -1.715 0 O-C-N 121.252 -0.905 . . . . 0.0 110.316 -178.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -60.9 -34.71 75.09 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.423 -0.798 . . . . 0.0 112.571 -178.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -136.95 -4.02 1.98 Allowed 'General case' 0 N--CA 1.512 2.636 0 O-C-N 120.721 -1.237 . . . . 0.0 112.819 -177.157 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.56 ' N ' ' O ' ' B' ' 12' ' ' HIS . 87.8 m-70 54.37 43.39 30.53 Favored 'General case' 0 N--CA 1.497 1.904 0 N-CA-C 107.529 -1.286 . . . . 0.0 107.529 -177.421 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 92.2 p -64.47 155.24 33.37 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.624 -0.672 . . . . 0.0 110.536 -178.694 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -71.61 159.56 34.21 Favored 'General case' 0 N--CA 1.489 1.512 0 N-CA-C 108.766 -0.828 . . . . 0.0 108.766 179.211 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 34.7 p-90 -56.98 -29.92 63.68 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.023 -1.048 . . . . 0.0 110.929 -178.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 61.4 mtp180 -61.68 -41.4 97.52 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.619 -1.301 . . . . 0.0 110.393 -179.593 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.83 -49.24 66.38 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.211 -0.931 . . . . 0.0 109.279 -179.38 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 78.4 mtm -60.1 -40.92 91.32 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 119.662 -0.815 . . . . 0.0 109.524 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.524 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -58.88 -47.04 86.33 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.46 -0.775 . . . . 0.0 109.174 179.738 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 31.9 t -69.85 -38.28 76.4 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.459 -0.775 . . . . 0.0 110.436 179.683 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -60.06 -40.51 89.72 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.016 -1.053 . . . . 0.0 109.961 -179.056 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -109.05 -0.1 19.65 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.451 -0.781 . . . . 0.0 109.947 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.524 ' N ' ' O ' ' B' ' 23' ' ' ALA . 17.6 t-20 56.24 47.03 20.15 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.312 -0.867 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 83.6 mt -112.97 153.4 45.26 Favored Pre-proline 0 N--CA 1.502 2.168 0 N-CA-C 108.361 -0.977 . . . . 0.0 108.361 179.641 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -60.21 163.0 15.43 Favored 'Trans proline' 0 C--N 1.314 -1.268 0 C-N-CA 121.545 1.496 . . . . 0.0 110.991 179.552 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -58.84 -32.2 96.77 Favored 'Trans proline' 0 C--N 1.3 -2.0 0 C-N-CA 122.171 1.914 . . . . 0.0 111.563 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.659 HG11 HD11 ' A' ' 5' ' ' ILE . 61.9 t -56.47 -48.29 80.39 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.716 0 O-C-N 121.035 -1.041 . . . . 0.0 109.795 -178.611 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 60.3 t -67.2 -49.96 67.7 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.711 0 C-N-CA 118.786 -1.165 . . . . 0.0 109.052 -179.4 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.15 -45.92 86.32 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.316 -0.865 . . . . 0.0 110.124 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 10.3 mtpm? -61.15 -36.19 79.12 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.767 -1.208 . . . . 0.0 109.849 179.744 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.0 tm-20 -60.86 -39.05 87.7 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.005 -1.06 . . . . 0.0 110.065 -178.776 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 49.3 mt -59.12 -40.51 81.12 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 120.795 -1.191 . . . . 0.0 108.65 179.623 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 84.3 t -61.37 -39.84 84.15 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 N-CA-C 108.081 -1.081 . . . . 0.0 108.081 179.434 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 38' ' ' ALA . . . . . 0.535 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -59.89 -32.48 70.78 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.555 -0.716 . . . . 0.0 109.501 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 49.6 m -78.39 -28.8 47.0 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.14 -0.975 . . . . 0.0 109.373 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 53.1 t -81.42 102.15 10.32 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.295 -0.878 . . . . 0.0 109.433 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -61.14 -31.16 70.88 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.342 -0.849 . . . . 0.0 110.23 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 26.9 mtpp -68.35 -39.96 81.66 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.081 -1.012 . . . . 0.0 110.518 -178.516 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 88.9 m -86.95 -29.06 22.34 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 120.931 -1.105 . . . . 0.0 110.252 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 44' ' ' GLN . . . . . 0.535 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 6.3 tt0 -71.89 -59.5 2.72 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.049 -1.032 . . . . 0.0 111.003 -178.618 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 92.7 mt -80.97 37.12 0.42 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.255 -0.903 . . . . 0.0 110.053 -179.028 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 46' ' ' LYS . . . . . 0.444 ' O ' ' O ' ' B' ' 47' ' ' GLY . 51.7 tttp -82.04 116.27 21.56 Favored 'General case' 0 C--N 1.296 -1.747 0 O-C-N 121.465 -0.772 . . . . 0.0 109.349 -179.743 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 47' ' ' GLY . . . . . 0.444 ' O ' ' O ' ' B' ' 46' ' ' LYS . . . 57.56 154.44 0.01 OUTLIER Glycine 0 N--CA 1.492 2.373 0 N-CA-C 110.401 -1.08 . . . . 0.0 110.401 179.709 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 48' ' ' GLU . . . . . 0.405 ' CD ' ' N ' ' B' ' 48' ' ' GLU . 8.7 mp0 57.85 43.99 20.78 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.605 -0.938 . . . . 0.0 110.408 179.31 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -128.76 -87.29 0.55 Allowed 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.57 -0.706 . . . . 0.0 109.193 179.416 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 56.6 mtt -79.36 139.55 37.73 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.283 -0.886 . . . . 0.0 109.644 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 52.0 t-80 -58.97 -38.57 79.43 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.252 -0.905 . . . . 0.0 108.99 179.45 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 52' ' ' GLY . . . . . 0.441 ' O ' ' O ' ' B' ' 53' ' ' GLN . . . 77.12 -152.38 40.07 Favored Glycine 0 N--CA 1.492 2.432 0 N-CA-C 110.261 -1.136 . . . . 0.0 110.261 179.419 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 53' ' ' GLN . . . . . 0.441 ' O ' ' O ' ' B' ' 52' ' ' GLY . 91.8 mt-30 55.59 113.83 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.734 -0.862 . . . . 0.0 110.315 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.686 HG13 ' N ' ' B' ' 55' ' ' ASP . 0.4 OUTLIER 69.1 -169.97 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.916 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 -179.746 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.686 ' N ' HG13 ' B' ' 54' ' ' VAL . 45.8 t0 . . . . . 0 N--CA 1.491 1.61 0 CA-C-O 117.876 -1.059 . . . . 0.0 109.417 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.413 ' O ' HD12 ' A' ' 5' ' ' ILE . 77.4 m-85 . . . . . 0 N--CA 1.491 1.613 0 CA-C-O 121.291 0.567 . . . . 0.0 110.253 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 14.6 mt -70.76 -37.95 73.43 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.372 -0.83 . . . . 0.0 111.747 -177.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 85.6 m-20 -64.33 -45.5 87.57 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.612 -1.305 . . . . 0.0 111.643 -177.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.13 -44.82 59.11 Favored Glycine 0 N--CA 1.492 2.393 0 N-CA-C 109.768 -1.333 . . . . 0.0 109.768 -179.637 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.491 HD11 HG11 ' B' ' 31' ' ' VAL . 94.7 mt -60.05 -40.28 82.77 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.773 0 O-C-N 121.628 -0.925 . . . . 0.0 110.888 -179.371 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -57.16 -47.97 79.87 Favored 'General case' 0 C--N 1.3 -1.571 0 C-N-CA 118.549 -1.26 . . . . 0.0 108.836 -179.452 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -68.8 -43.56 75.36 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.371 -0.831 . . . . 0.0 109.037 178.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.1 -36.09 83.21 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.353 -0.842 . . . . 0.0 109.911 179.327 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.464 ' N ' ' O ' ' A' ' 5' ' ' ILE . 62.0 tt0 -57.9 -40.81 81.22 Favored 'General case' 0 C--N 1.301 -1.523 0 C-N-CA 119.091 -1.044 . . . . 0.0 108.988 -179.022 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -60.26 -41.91 94.25 Favored 'General case' 0 C--N 1.297 -1.68 0 O-C-N 120.81 -1.181 . . . . 0.0 109.168 179.201 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -60.04 -40.37 89.17 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.303 -0.873 . . . . 0.0 108.729 179.757 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.551 ' O ' ' N ' ' A' ' 16' ' ' HIS . 15.3 t60 -61.67 -45.38 94.26 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.029 -1.044 . . . . 0.0 110.313 179.546 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -61.38 -43.79 98.26 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.041 -1.037 . . . . 0.0 110.96 -179.145 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 54.5 mtpt -61.42 -28.99 69.66 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.577 -0.702 . . . . 0.0 112.635 -178.331 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -139.77 -9.13 1.21 Allowed 'General case' 0 N--CA 1.506 2.35 0 O-C-N 120.818 -1.176 . . . . 0.0 112.154 -177.077 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.551 ' N ' ' O ' ' A' ' 12' ' ' HIS . 92.6 m-70 55.71 42.3 29.45 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.403 -1.436 . . . . 0.0 107.244 -177.707 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 84.8 p -65.04 160.26 21.35 Favored 'General case' 0 N--CA 1.484 1.23 0 O-C-N 121.351 -0.843 . . . . 0.0 110.375 -178.794 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -74.17 158.02 34.9 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.38 -0.825 . . . . 0.0 109.36 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 28.1 p-90 -57.14 -29.04 63.26 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.137 -0.977 . . . . 0.0 109.778 -179.625 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 77.6 mtm180 -64.24 -39.89 94.89 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.92 -1.113 . . . . 0.0 109.848 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.56 -50.0 60.56 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.642 -0.661 . . . . 0.0 109.396 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 79.0 mtm -60.67 -40.14 90.99 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.292 -0.88 . . . . 0.0 110.399 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -59.12 -44.42 92.01 Favored 'General case' 0 C--N 1.301 -1.538 0 C-N-CA 119.365 -0.934 . . . . 0.0 109.305 -179.282 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 13.7 m -71.5 -36.99 71.3 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.408 -0.807 . . . . 0.0 110.211 179.395 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -60.65 -39.99 90.4 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.321 -0.862 . . . . 0.0 110.316 -178.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -110.74 0.01 17.22 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.623 -0.673 . . . . 0.0 110.305 -179.259 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.442 ' N ' ' O ' ' A' ' 23' ' ' ALA . 53.4 m-20 55.85 49.61 15.7 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.263 -0.898 . . . . 0.0 109.981 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 86.9 mt -116.76 153.49 49.24 Favored Pre-proline 0 N--CA 1.504 2.242 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -59.46 161.43 17.29 Favored 'Trans proline' 0 N--CA 1.492 1.418 0 C-N-CA 121.68 1.587 . . . . 0.0 111.496 179.311 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_endo -56.62 -32.1 89.26 Favored 'Trans proline' 0 C--N 1.304 -1.815 0 C-N-CA 122.589 2.193 . . . . 0.0 111.52 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.545 HG11 HD11 ' B' ' 5' ' ' ILE . 46.6 t -58.26 -49.65 81.09 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.843 0 O-C-N 120.872 -1.142 . . . . 0.0 110.1 -178.451 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 59.7 t -66.28 -47.26 84.88 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.739 0 C-N-CA 118.646 -1.221 . . . . 0.0 109.203 -178.637 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.48 -48.13 76.37 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.158 -0.964 . . . . 0.0 109.984 179.648 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.1 mtpm? -61.45 -35.42 77.56 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.089 -1.007 . . . . 0.0 110.726 -179.517 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.8 tm-20 -60.25 -38.39 83.3 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 120.979 -1.076 . . . . 0.0 109.466 -178.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 72.0 mt -60.46 -39.68 81.89 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 120.929 -1.107 . . . . 0.0 108.668 179.165 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 94.8 t -62.96 -38.22 81.39 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.61 0 O-C-N 121.492 -0.755 . . . . 0.0 108.994 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.26 -31.62 70.39 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.507 -0.746 . . . . 0.0 109.708 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.4 m -81.56 -23.06 37.4 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.149 -0.969 . . . . 0.0 110.875 -178.762 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 43.7 t -82.78 104.27 12.89 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.088 -1.008 . . . . 0.0 108.956 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -60.24 -30.38 69.38 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.398 -0.814 . . . . 0.0 110.405 -179.397 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -71.26 -40.17 71.13 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.164 -0.96 . . . . 0.0 111.404 -178.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 90.0 m -86.77 -17.97 32.23 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.001 -1.062 . . . . 0.0 110.138 -179.554 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 -74.45 -71.88 0.32 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.954 -1.091 . . . . 0.0 108.786 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 51.8 mt -78.0 112.64 15.12 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 107.201 -1.407 . . . . 0.0 107.201 178.342 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -89.56 130.82 35.82 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.304 -0.873 . . . . 0.0 109.885 -178.55 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 46.5 -138.88 7.57 Favored Glycine 0 N--CA 1.491 2.316 0 N-CA-C 109.854 -1.299 . . . . 0.0 109.854 179.236 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -72.37 134.55 45.51 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.456 -1.026 . . . . 0.0 109.336 179.575 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.06 -44.96 17.23 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 120.96 -1.087 . . . . 0.0 109.127 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 22.2 ttt -160.73 113.81 2.02 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.033 -1.042 . . . . 0.0 110.553 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 13.8 t60 -135.73 107.34 6.96 Favored 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 178.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -68.5 167.79 43.68 Favored Glycine 0 N--CA 1.487 2.044 0 N-CA-C 109.322 -1.511 . . . . 0.0 109.322 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -82.39 18.44 1.46 Allowed 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.438 -1.036 . . . . 0.0 109.01 179.642 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.484 HG12 ' H ' ' A' ' 55' ' ' ASP . 0.8 OUTLIER 50.2 -155.36 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 O-C-N 121.309 -0.87 . . . . 0.0 109.659 179.683 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.484 ' H ' HG12 ' A' ' 54' ' ' VAL . 74.1 m-20 . . . . . 0 N--CA 1.49 1.541 0 CA-C-O 117.986 -1.007 . . . . 0.0 109.348 -179.605 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 1' ' ' PHE . . . . . 0.402 ' O ' HD12 ' B' ' 5' ' ' ILE . 74.2 m-85 . . . . . 0 N--CA 1.49 1.559 0 CA-C-O 121.311 0.577 . . . . 0.0 110.011 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 13.8 mt -74.05 -35.66 64.3 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.543 -0.723 . . . . 0.0 111.96 -178.054 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -66.19 -44.07 85.01 Favored 'General case' 0 C--N 1.297 -1.686 0 O-C-N 120.828 -1.17 . . . . 0.0 111.046 -177.789 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.92 -44.72 45.61 Favored Glycine 0 N--CA 1.488 2.151 0 N-CA-C 109.385 -1.486 . . . . 0.0 109.385 -179.623 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.545 HD11 HG11 ' A' ' 31' ' ' VAL . 94.3 mt -60.07 -40.03 82.1 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.733 0 O-C-N 121.618 -0.93 . . . . 0.0 110.699 -179.487 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -56.39 -48.46 76.84 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 120.524 -1.36 . . . . 0.0 109.079 -179.419 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 37.1 ttmt -68.11 -43.74 77.72 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.066 -1.021 . . . . 0.0 108.914 178.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.81 -36.86 85.71 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.312 -0.868 . . . . 0.0 109.828 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 60.8 tt0 -56.73 -40.54 75.89 Favored 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 119.631 -0.828 . . . . 0.0 109.375 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.73 -42.89 98.21 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.037 -1.039 . . . . 0.0 109.165 179.483 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -60.18 -39.89 88.05 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 12' ' ' HIS . . . . . 0.552 ' O ' ' N ' ' B' ' 16' ' ' HIS . 15.1 t60 -62.56 -44.66 95.79 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.141 -0.974 . . . . 0.0 109.852 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -62.08 -44.23 97.13 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.167 -0.958 . . . . 0.0 110.352 -179.524 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 57.0 mtpt -60.14 -30.17 69.12 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.418 -0.801 . . . . 0.0 113.101 -177.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -139.59 -8.51 1.26 Allowed 'General case' 0 N--CA 1.507 2.419 0 O-C-N 120.91 -1.119 . . . . 0.0 112.248 -176.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.552 ' N ' ' O ' ' B' ' 12' ' ' HIS . 92.7 m-70 55.22 43.06 29.88 Favored 'General case' 0 N--CA 1.497 1.924 0 N-CA-C 107.452 -1.314 . . . . 0.0 107.452 -177.169 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 84.7 p -64.55 159.46 21.65 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 121.48 -0.762 . . . . 0.0 110.267 -178.664 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -73.62 157.24 37.0 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.461 -0.774 . . . . 0.0 109.543 179.389 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 24.4 p-90 -56.17 -30.09 61.74 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.053 -1.029 . . . . 0.0 110.525 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 81.7 mtm180 -63.83 -40.3 96.27 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.855 -1.153 . . . . 0.0 109.618 179.688 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.17 -49.47 64.56 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.41 -0.806 . . . . 0.0 109.751 -179.473 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 77.9 mtm -60.18 -39.53 86.81 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.483 -0.761 . . . . 0.0 109.689 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.502 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -59.51 -46.76 87.91 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.248 -0.908 . . . . 0.0 109.619 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 15.2 m -69.97 -37.21 75.7 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.095 -1.003 . . . . 0.0 109.838 179.692 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -60.64 -40.83 93.41 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.372 -0.83 . . . . 0.0 110.548 -178.554 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -110.08 -0.14 18.13 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 121.425 -0.797 . . . . 0.0 109.851 179.732 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.502 ' N ' ' O ' ' B' ' 23' ' ' ALA . 56.2 m-20 56.25 49.09 15.95 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.913 -1.117 . . . . 0.0 109.547 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 88.6 mt -115.91 152.74 47.88 Favored Pre-proline 0 N--CA 1.493 1.714 0 N-CA-C 107.873 -1.158 . . . . 0.0 107.873 179.424 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -59.52 162.79 14.15 Favored 'Trans proline' 0 C--N 1.311 -1.424 0 C-N-CA 121.536 1.491 . . . . 0.0 111.554 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -57.9 -32.06 94.16 Favored 'Trans proline' 0 C--N 1.304 -1.795 0 C-N-CA 122.368 2.045 . . . . 0.0 111.862 -179.612 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.491 HG11 HD11 ' A' ' 5' ' ' ILE . 48.6 t -57.97 -48.91 82.92 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.783 0 O-C-N 121.053 -1.029 . . . . 0.0 110.097 -178.794 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 59.5 t -66.07 -47.96 83.17 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.615 0 C-N-CA 118.765 -1.174 . . . . 0.0 109.406 -178.527 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.73 -47.23 79.04 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.301 -0.874 . . . . 0.0 109.971 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 10.4 mtpm? -61.33 -36.48 80.27 Favored 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 119.29 -0.964 . . . . 0.0 110.275 -179.349 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 -60.09 -38.68 83.65 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.009 -1.057 . . . . 0.0 109.76 -178.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 78.2 mt -59.76 -40.37 82.31 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.412 0 O-C-N 120.963 -1.086 . . . . 0.0 108.797 179.187 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 94.5 t -62.31 -39.22 83.37 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.477 0 O-C-N 121.564 -0.71 . . . . 0.0 109.203 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.66 -32.12 70.17 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.411 -0.806 . . . . 0.0 109.707 179.766 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 57.9 m -80.82 -22.75 39.73 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.293 -0.88 . . . . 0.0 110.508 -179.397 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 44.3 t -82.91 103.58 12.49 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.817 -1.177 . . . . 0.0 109.513 -179.739 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -60.12 -30.13 69.07 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.097 -1.002 . . . . 0.0 110.416 -179.455 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -71.31 -40.47 70.79 Favored 'General case' 0 N--CA 1.495 1.818 0 C-N-CA 119.203 -0.999 . . . . 0.0 110.931 -178.09 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 97.8 m -85.66 -19.67 30.58 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 120.739 -1.226 . . . . 0.0 109.857 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -71.45 -71.22 0.27 Allowed 'General case' 0 C--N 1.298 -1.661 0 O-C-N 121.169 -0.957 . . . . 0.0 109.397 -179.147 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 55.9 mt -79.91 114.14 18.61 Favored 'General case' 0 N--CA 1.493 1.685 0 N-CA-C 107.451 -1.315 . . . . 0.0 107.451 178.507 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -90.19 130.14 36.36 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.366 -0.834 . . . . 0.0 109.879 -178.511 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 45.51 -134.44 8.47 Favored Glycine 0 N--CA 1.488 2.144 0 N-CA-C 109.838 -1.305 . . . . 0.0 109.838 179.647 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -75.04 133.21 41.67 Favored 'General case' 0 C--N 1.304 -1.413 0 O-C-N 121.529 -0.983 . . . . 0.0 109.42 179.728 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -78.7 -51.45 9.8 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.452 -0.78 . . . . 0.0 108.912 179.6 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 22.3 ttt -155.44 114.31 3.54 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.206 -0.934 . . . . 0.0 110.126 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 17.0 t60 -136.03 104.55 5.73 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.294 -0.879 . . . . 0.0 109.105 179.36 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -65.97 167.34 34.93 Favored Glycine 0 N--CA 1.495 2.582 0 N-CA-C 110.219 -1.152 . . . . 0.0 110.219 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -80.24 16.43 1.27 Allowed 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.517 -0.99 . . . . 0.0 108.882 179.318 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.532 HG12 ' H ' ' B' ' 55' ' ' ASP . 1.4 t 52.3 -155.33 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.907 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 179.79 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.532 ' H ' HG12 ' B' ' 54' ' ' VAL . 72.1 m-20 . . . . . 0 N--CA 1.491 1.615 0 CA-C-O 117.949 -1.024 . . . . 0.0 109.586 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 121.473 0.654 . . . . 0.0 109.881 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 15.3 mt -69.98 -34.7 73.71 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.107 -0.996 . . . . 0.0 111.746 -178.287 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -61.51 -46.3 90.56 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.678 -1.264 . . . . 0.0 110.621 -178.662 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.63 -46.4 31.56 Favored Glycine 0 N--CA 1.494 2.515 0 N-CA-C 109.416 -1.474 . . . . 0.0 109.416 179.635 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.463 ' O ' ' N ' ' A' ' 9' ' ' GLN . 78.2 mt -58.69 -39.98 78.04 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.512 0 O-C-N 121.501 -0.999 . . . . 0.0 109.798 -179.702 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 58.7 t0 -56.61 -46.46 80.88 Favored 'General case' 0 C--N 1.301 -1.503 0 C-N-CA 118.635 -1.226 . . . . 0.0 109.096 -179.691 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -69.51 -43.22 73.52 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.062 -1.024 . . . . 0.0 109.159 178.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.15 -36.95 84.47 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.237 -0.914 . . . . 0.0 109.579 179.075 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.463 ' N ' ' O ' ' A' ' 5' ' ' ILE . 60.4 tt0 -55.62 -40.43 72.11 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.273 -0.892 . . . . 0.0 109.052 -179.367 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 80.0 tt0 -60.02 -41.13 91.53 Favored 'General case' 0 C--N 1.304 -1.387 0 C-N-CA 119.381 -0.927 . . . . 0.0 108.986 179.544 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -61.47 -39.72 91.92 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.147 -0.97 . . . . 0.0 108.923 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.534 ' O ' ' N ' ' A' ' 16' ' ' HIS . 15.2 t60 -61.73 -43.77 98.2 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.098 -1.001 . . . . 0.0 109.777 179.28 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -60.16 -44.26 95.16 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.157 -0.964 . . . . 0.0 110.166 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 46.8 mtmt -61.5 -32.02 72.04 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.418 -0.802 . . . . 0.0 112.964 -178.597 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -138.27 -4.47 1.68 Allowed 'General case' 0 N--CA 1.506 2.327 0 O-C-N 120.541 -1.349 . . . . 0.0 112.845 -176.329 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.534 ' N ' ' O ' ' A' ' 12' ' ' HIS . 89.8 m-70 53.87 41.24 32.11 Favored 'General case' 0 N--CA 1.493 1.713 0 N-CA-C 107.578 -1.268 . . . . 0.0 107.578 -177.67 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 89.1 p -60.84 155.44 19.58 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.643 -0.661 . . . . 0.0 111.122 -178.34 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -71.32 159.21 34.99 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 108.863 -0.792 . . . . 0.0 108.863 179.235 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 41.8 p-90 -58.59 -30.79 67.47 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.158 -0.964 . . . . 0.0 110.385 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -63.45 -41.45 98.64 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.841 -1.162 . . . . 0.0 109.889 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.71 -47.79 71.26 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.316 -0.865 . . . . 0.0 109.883 -179.644 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 77.7 mtm -61.09 -39.47 90.03 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.104 -0.997 . . . . 0.0 109.331 179.544 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.521 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -57.35 -48.25 79.5 Favored 'General case' 0 C--N 1.303 -1.424 0 C-N-CA 119.552 -0.859 . . . . 0.0 109.242 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 20.4 t -70.05 -36.4 74.99 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.402 -0.811 . . . . 0.0 110.42 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -60.57 -40.23 90.92 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.25 -0.906 . . . . 0.0 110.174 -178.526 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -113.45 2.49 15.43 Favored 'General case' 0 N--CA 1.505 2.278 0 O-C-N 121.35 -0.844 . . . . 0.0 110.305 179.726 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.521 ' N ' ' O ' ' A' ' 23' ' ' ALA . 62.7 m-20 55.62 50.34 14.64 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.296 -0.877 . . . . 0.0 110.123 179.785 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 75.3 mt -115.49 151.85 46.46 Favored Pre-proline 0 N--CA 1.503 2.211 0 O-C-N 121.334 -0.854 . . . . 0.0 108.761 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_endo -61.16 150.83 82.64 Favored 'Trans proline' 0 N--CA 1.493 1.489 0 C-N-CA 121.938 1.759 . . . . 0.0 111.882 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -43.7 -41.22 11.35 Favored 'Trans proline' 0 C--N 1.313 -1.302 0 C-N-CA 122.202 1.935 . . . . 0.0 112.441 179.717 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 88.5 t -51.67 -50.24 31.86 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.913 0 O-C-N 121.138 -0.976 . . . . 0.0 110.441 -178.713 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 63.6 t -64.89 -48.61 83.55 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.646 0 C-N-CA 118.255 -1.378 . . . . 0.0 109.307 -178.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.58 -46.04 80.92 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.512 -0.743 . . . . 0.0 110.506 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 42.3 mtmt -62.44 -34.58 77.06 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 120.796 -1.19 . . . . 0.0 109.502 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.0 tm-20 -61.05 -39.32 89.37 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.135 -0.978 . . . . 0.0 109.725 -179.369 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 50.7 mt -59.36 -39.98 80.36 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 179.361 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 93.7 t -62.96 -39.63 85.87 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 O-C-N 121.357 -0.839 . . . . 0.0 108.791 179.169 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.72 -31.98 70.11 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.385 -0.822 . . . . 0.0 108.942 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.8 m -76.04 -29.14 57.96 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.531 -0.73 . . . . 0.0 109.413 179.602 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 51.4 t -82.62 103.76 12.38 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.368 -0.833 . . . . 0.0 109.492 179.63 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -61.66 -29.96 70.41 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.415 -0.803 . . . . 0.0 110.442 -179.622 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 60.8 mttp -70.06 -40.55 75.01 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.035 -1.04 . . . . 0.0 110.583 -179.036 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 99.6 m -85.7 -30.96 22.75 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 120.99 -1.069 . . . . 0.0 110.914 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.499 HE21 ' CD ' ' B' ' 44' ' ' GLN . 39.6 tt0 -70.37 -48.64 55.36 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 120.969 -1.082 . . . . 0.0 110.897 -178.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.2 mt -85.39 26.24 0.94 Allowed 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.091 -1.006 . . . . 0.0 110.781 -179.239 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 40.3 tttp -81.66 -7.05 59.55 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 121.113 -0.992 . . . . 0.0 108.649 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -82.23 -163.43 32.6 Favored Glycine 0 N--CA 1.491 2.342 0 N-CA-C 108.732 -1.747 . . . . 0.0 108.732 178.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 83.3 mt-10 -73.38 140.75 46.84 Favored 'General case' 0 C--N 1.304 -1.413 0 O-C-N 121.332 -1.099 . . . . 0.0 109.85 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -178.31 75.15 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.361 -0.837 . . . . 0.0 108.945 179.741 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 25.9 ptt? -170.39 165.02 8.78 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 120.822 -1.173 . . . . 0.0 110.051 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.537 ' NE2' ' O ' ' A' ' 55' ' ' ASP . 52.0 t60 57.41 46.15 18.67 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.758 -0.589 . . . . 0.0 110.051 179.215 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -85.23 -75.67 1.23 Allowed Glycine 0 N--CA 1.491 2.326 0 N-CA-C 108.857 -1.697 . . . . 0.0 108.857 179.292 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 92.5 mm-40 -62.3 163.67 8.12 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.22 -1.165 . . . . 0.0 110.125 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.3 t 63.7 157.01 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.819 0 CA-C-O 121.37 0.605 . . . . 0.0 109.909 -179.555 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.537 ' O ' ' NE2' ' A' ' 51' ' ' HIS . 92.4 m-20 . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 117.898 -1.049 . . . . 0.0 108.907 179.747 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 44.5 m-85 . . . . . 0 N--CA 1.49 1.555 0 CA-C-O 121.554 0.693 . . . . 0.0 109.902 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 16.3 mt -70.57 -34.25 72.0 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.304 -0.872 . . . . 0.0 111.663 -178.251 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -62.33 -45.8 91.59 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 120.567 -1.333 . . . . 0.0 110.632 -178.708 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.68 -46.03 26.0 Favored Glycine 0 N--CA 1.493 2.441 0 N-CA-C 109.375 -1.49 . . . . 0.0 109.375 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.497 ' O ' ' N ' ' B' ' 9' ' ' GLN . 81.0 mt -58.24 -39.44 73.6 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.642 0 O-C-N 121.355 -1.085 . . . . 0.0 110.055 -179.725 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 61.5 t0 -57.62 -45.63 85.13 Favored 'General case' 0 C--N 1.301 -1.502 0 C-N-CA 119.139 -1.024 . . . . 0.0 108.956 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -69.52 -43.35 73.24 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.953 -1.092 . . . . 0.0 108.981 178.597 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.27 -36.82 83.97 Favored 'General case' 0 N--CA 1.486 1.369 0 O-C-N 121.256 -0.903 . . . . 0.0 109.324 179.527 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' GLN . . . . . 0.497 ' N ' ' O ' ' B' ' 5' ' ' ILE . 58.4 tt0 -55.83 -40.22 72.51 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.424 -0.797 . . . . 0.0 109.002 -179.334 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -60.07 -40.92 91.16 Favored 'General case' 0 C--N 1.3 -1.545 0 C-N-CA 119.392 -0.923 . . . . 0.0 109.023 179.369 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -61.78 -40.01 93.69 Favored 'General case' 0 N--CA 1.489 1.498 0 C-N-CA 119.145 -1.022 . . . . 0.0 109.095 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' HIS . . . . . 0.524 ' O ' ' N ' ' B' ' 16' ' ' HIS . 14.9 t60 -61.58 -42.4 98.8 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.009 -1.057 . . . . 0.0 109.626 179.4 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -60.63 -45.22 94.89 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.054 -1.029 . . . . 0.0 110.169 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 47.4 mtmt -61.25 -31.32 71.12 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.443 -0.786 . . . . 0.0 112.87 -178.582 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 47.2 m-85 -139.21 -3.98 1.53 Allowed 'General case' 0 N--CA 1.505 2.301 0 O-C-N 120.607 -1.308 . . . . 0.0 112.708 -176.228 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.524 ' N ' ' O ' ' B' ' 12' ' ' HIS . 90.1 m-70 54.04 40.62 31.81 Favored 'General case' 0 N--CA 1.493 1.677 0 N-CA-C 107.749 -1.204 . . . . 0.0 107.749 -178.031 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 90.7 p -60.08 155.86 16.2 Favored 'General case' 0 C--N 1.301 -1.529 0 CA-C-O 121.652 0.739 . . . . 0.0 111.189 -178.327 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -72.35 157.95 36.71 Favored 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 179.292 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 42.6 p-90 -57.05 -30.95 64.69 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.127 -0.983 . . . . 0.0 110.455 -179.639 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -63.37 -41.73 98.82 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.948 -1.095 . . . . 0.0 109.934 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.9 -47.07 72.93 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.403 -0.811 . . . . 0.0 109.842 -179.491 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 77.7 mtm -61.47 -39.91 92.61 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.038 -1.039 . . . . 0.0 109.198 179.503 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.514 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -56.69 -48.71 77.07 Favored 'General case' 0 C--N 1.3 -1.57 0 C-N-CA 119.623 -0.831 . . . . 0.0 109.186 179.815 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 19.8 t -70.22 -36.05 74.28 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.306 -0.871 . . . . 0.0 110.492 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -60.73 -39.97 90.63 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.215 -0.928 . . . . 0.0 110.464 -178.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -114.44 1.96 14.51 Favored 'General case' 0 N--CA 1.503 2.211 0 O-C-N 121.6 -0.687 . . . . 0.0 110.191 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.514 ' N ' ' O ' ' B' ' 23' ' ' ALA . 67.8 m-20 56.11 50.61 13.29 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.445 -0.785 . . . . 0.0 110.228 179.782 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 70.2 mt -115.97 151.6 46.68 Favored Pre-proline 0 N--CA 1.503 2.216 0 N-CA-C 108.52 -0.919 . . . . 0.0 108.52 179.662 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo -61.75 150.85 84.1 Favored 'Trans proline' 0 N--CA 1.497 1.693 0 C-N-CA 121.942 1.761 . . . . 0.0 111.996 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -43.17 -40.57 9.25 Favored 'Trans proline' 0 N--CA 1.489 1.226 0 C-N-CA 122.032 1.822 . . . . 0.0 112.308 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 86.7 t -51.89 -50.64 32.61 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 121.218 -0.926 . . . . 0.0 110.418 -178.617 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 62.6 t -64.77 -48.95 82.4 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.737 0 C-N-CA 118.33 -1.348 . . . . 0.0 109.476 -179.086 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.22 -45.8 83.24 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 121.416 -0.802 . . . . 0.0 110.639 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 42.0 mtmt -62.49 -34.12 76.22 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.036 -1.04 . . . . 0.0 109.777 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 13.2 tm-20 -61.91 -38.48 88.54 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.166 -0.958 . . . . 0.0 110.006 -179.419 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 45.9 mt -60.28 -39.78 81.82 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 N-CA-C 107.619 -1.252 . . . . 0.0 107.619 179.539 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 80.9 t -62.98 -39.92 87.03 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 179.175 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 38' ' ' ALA . . . . . 0.484 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -59.5 -32.17 70.03 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 179.4 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 51.8 m -76.0 -28.94 57.99 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.48 -0.763 . . . . 0.0 109.336 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 45.0 t -83.4 104.68 13.74 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.253 -0.904 . . . . 0.0 109.397 179.656 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -62.2 -29.68 70.54 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.327 -0.858 . . . . 0.0 110.518 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -70.01 -40.92 74.96 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.886 -1.134 . . . . 0.0 110.559 -178.699 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 94.2 m -85.13 -31.85 23.08 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.776 -1.202 . . . . 0.0 110.767 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 44' ' ' GLN . . . . . 0.499 ' CD ' HE21 ' A' ' 44' ' ' GLN . 5.8 tt0 -69.75 -46.68 65.32 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 120.828 -1.17 . . . . 0.0 111.055 -178.769 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 98.4 mt -88.13 27.34 1.22 Allowed 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.045 -1.035 . . . . 0.0 110.579 -178.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 41.8 tttp -82.22 -7.42 59.62 Favored 'General case' 0 C--N 1.298 -1.641 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 179.624 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -82.75 -166.79 39.69 Favored Glycine 0 N--CA 1.493 2.436 0 N-CA-C 108.904 -1.678 . . . . 0.0 108.904 179.041 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 87.2 mt-10 -70.14 140.89 52.71 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.201 -1.176 . . . . 0.0 109.839 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -178.99 75.83 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.559 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 179.432 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 25.5 ptt? -171.14 164.99 7.41 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 120.966 -1.084 . . . . 0.0 110.053 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 51' ' ' HIS . . . . . 0.546 ' NE2' ' O ' ' B' ' 55' ' ' ASP . 55.4 t60 57.29 46.34 18.72 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.425 -0.797 . . . . 0.0 109.982 178.825 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -86.43 -74.06 1.27 Allowed Glycine 0 N--CA 1.492 2.421 0 N-CA-C 109.046 -1.622 . . . . 0.0 109.046 179.381 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 92.3 mm-40 -63.21 162.82 11.3 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.239 -1.154 . . . . 0.0 109.739 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 7.6 t 64.08 157.12 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.77 0 CA-C-O 121.564 0.697 . . . . 0.0 110.205 -179.622 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.546 ' O ' ' NE2' ' B' ' 51' ' ' HIS . 90.7 m-20 . . . . . 0 N--CA 1.485 1.321 0 CA-C-O 118.072 -0.966 . . . . 0.0 109.34 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.423 ' CE2' ' CE2' ' B' ' 1' ' ' PHE . 60.4 m-85 . . . . . 0 N--CA 1.492 1.639 0 CA-C-O 121.472 0.653 . . . . 0.0 109.764 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 20.2 mt -70.27 -35.19 73.6 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.202 -0.937 . . . . 0.0 111.114 -178.033 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -64.04 -45.72 87.6 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.868 -1.145 . . . . 0.0 110.774 -178.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.15 -41.96 52.29 Favored Glycine 0 N--CA 1.492 2.377 0 N-CA-C 109.338 -1.505 . . . . 0.0 109.338 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.417 HD12 ' O ' ' A' ' 1' ' ' PHE . 72.6 mt -60.42 -39.19 80.31 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.374 -1.074 . . . . 0.0 109.867 179.536 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 47.1 t0 -56.08 -48.27 76.42 Favored 'General case' 0 C--N 1.303 -1.417 0 C-N-CA 119.116 -1.034 . . . . 0.0 108.919 -179.068 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -69.12 -40.92 78.0 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.79 -1.194 . . . . 0.0 109.317 178.778 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.6 -40.24 88.77 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.351 -0.843 . . . . 0.0 109.856 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -55.65 -40.41 72.18 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.256 -0.902 . . . . 0.0 109.637 -179.24 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -62.24 -40.18 95.28 Favored 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 119.521 -0.872 . . . . 0.0 109.239 179.327 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -61.4 -40.63 95.09 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.064 -1.022 . . . . 0.0 108.677 179.465 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.535 ' O ' ' N ' ' A' ' 16' ' ' HIS . 12.8 t60 -60.22 -46.84 88.38 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.336 -0.853 . . . . 0.0 110.091 179.614 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -60.05 -42.97 95.61 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.346 -0.846 . . . . 0.0 110.905 -179.636 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.5 mtpp -61.7 -32.38 72.58 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.329 -0.857 . . . . 0.0 112.479 -178.121 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 -139.36 -3.97 1.5 Allowed 'General case' 0 N--CA 1.506 2.362 0 O-C-N 120.727 -1.233 . . . . 0.0 112.835 -176.534 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.535 ' N ' ' O ' ' A' ' 12' ' ' HIS . 81.3 m-70 54.55 44.28 28.98 Favored 'General case' 0 N--CA 1.499 1.979 0 N-CA-C 107.004 -1.48 . . . . 0.0 107.004 -177.422 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 91.8 p -67.49 157.01 35.26 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.605 -0.684 . . . . 0.0 110.307 -178.477 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 36.0 m120 -73.52 158.65 34.48 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.355 -0.841 . . . . 0.0 109.055 179.413 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 55.3 p-90 -57.76 -30.54 65.69 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.355 -0.841 . . . . 0.0 110.302 -179.485 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 79.3 mtm180 -61.29 -39.85 91.96 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.835 -1.166 . . . . 0.0 109.554 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.08 -49.37 57.94 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.697 -0.627 . . . . 0.0 110.321 -179.515 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 79.3 mtm -60.6 -39.23 87.37 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.051 -1.031 . . . . 0.0 109.631 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.559 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -57.19 -47.74 80.5 Favored 'General case' 0 C--N 1.299 -1.613 0 C-N-CA 119.505 -0.878 . . . . 0.0 109.57 -179.667 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 18.3 t -68.27 -36.41 79.37 Favored 'General case' 0 C--N 1.298 -1.672 0 O-C-N 121.181 -0.949 . . . . 0.0 110.04 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -59.88 -40.03 87.29 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.279 -0.888 . . . . 0.0 110.428 -178.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -114.43 1.6 14.42 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.38 -0.825 . . . . 0.0 110.121 -179.385 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.559 ' N ' ' O ' ' A' ' 23' ' ' ALA . 85.9 m-20 56.12 45.09 24.12 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.411 -0.806 . . . . 0.0 110.168 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 61.0 mt -107.77 150.98 40.94 Favored Pre-proline 0 N--CA 1.503 2.224 0 O-C-N 121.176 -0.953 . . . . 0.0 108.473 179.39 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -61.78 149.76 88.68 Favored 'Trans proline' 0 N--CA 1.489 1.234 0 C-N-CA 121.526 1.484 . . . . 0.0 111.325 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -42.75 -38.43 6.59 Favored 'Trans proline' 0 C--N 1.313 -1.309 0 C-N-CA 122.315 2.01 . . . . 0.0 113.171 -179.374 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.435 HG11 HD11 ' B' ' 5' ' ' ILE . 59.2 t -54.09 -50.91 51.46 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.943 0 O-C-N 120.949 -1.095 . . . . 0.0 110.231 -177.557 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 57.7 t -64.19 -48.21 86.65 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.736 0 C-N-CA 118.739 -1.184 . . . . 0.0 109.339 -178.584 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.89 -45.28 82.58 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.46 -0.775 . . . . 0.0 109.692 179.631 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 53.4 mtpt -60.25 -37.37 80.18 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.111 -0.993 . . . . 0.0 110.491 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.6 tm-20 -60.53 -39.47 87.98 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.821 -1.174 . . . . 0.0 110.349 -179.469 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 89.6 mt -60.02 -39.54 80.57 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.493 0 O-C-N 120.65 -1.281 . . . . 0.0 107.751 178.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 92.9 t -66.05 -39.4 84.4 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.397 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 178.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.29 -38.11 76.37 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.773 -0.579 . . . . 0.0 110.661 -179.699 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 47.4 m -77.24 -22.79 51.69 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.417 -0.802 . . . . 0.0 109.597 -179.212 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 45.4 t -81.05 98.77 8.13 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.27 -0.894 . . . . 0.0 109.195 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.436 ' O ' ' O ' ' A' ' 45' ' ' LEU . 91.5 m-20 -60.83 -28.9 69.16 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.597 -0.69 . . . . 0.0 110.442 -179.764 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 60.8 mttm -68.85 -39.68 79.77 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 120.963 -1.085 . . . . 0.0 110.423 -178.229 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 57.6 m -83.45 -51.87 7.0 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 120.903 -1.123 . . . . 0.0 110.34 -179.665 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.404 ' OE1' ' OE1' ' B' ' 44' ' ' GLN . 42.9 tt0 -71.09 -59.78 2.59 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.926 -1.109 . . . . 0.0 110.083 -179.356 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.436 ' O ' ' O ' ' A' ' 41' ' ' ASP . 27.5 mt -84.11 101.51 11.87 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.926 -1.109 . . . . 0.0 109.104 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 46.2 tttp -87.55 -12.63 45.23 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.103 -0.998 . . . . 0.0 109.552 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.89 29.19 39.27 Favored Glycine 0 N--CA 1.496 2.68 0 C-N-CA 119.793 -1.194 . . . . 0.0 111.072 178.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -60.54 -22.34 63.52 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.949 -1.324 . . . . 0.0 109.943 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -94.33 133.49 37.83 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.054 -1.029 . . . . 0.0 109.255 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 13.9 ttp -173.22 176.5 2.9 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.439 -0.788 . . . . 0.0 108.99 -179.546 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 64.3 t60 -48.61 -33.68 10.26 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.233 -0.917 . . . . 0.0 109.752 179.54 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 93.51 4.2 64.2 Favored Glycine 0 N--CA 1.499 2.839 0 N-CA-C 110.269 -1.133 . . . . 0.0 110.269 179.402 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 51.86 64.43 1.85 Allowed 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.05 -1.264 . . . . 0.0 109.863 179.565 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.6 t -95.62 152.53 3.73 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.381 0 O-C-N 120.875 -1.141 . . . . 0.0 109.634 -179.665 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 68.0 t0 . . . . . 0 N--CA 1.493 1.678 0 CA-C-O 118.168 -0.92 . . . . 0.0 109.614 -179.52 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' PHE . . . . . 0.474 ' O ' HD12 ' B' ' 5' ' ' ILE . 58.1 m-85 . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 121.545 0.688 . . . . 0.0 109.458 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 19.2 mt -70.52 -34.99 72.92 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.341 -0.849 . . . . 0.0 110.879 -178.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -64.27 -45.5 87.79 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.821 -1.174 . . . . 0.0 110.837 -178.681 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.39 -41.49 52.1 Favored Glycine 0 N--CA 1.492 2.411 0 N-CA-C 109.289 -1.524 . . . . 0.0 109.289 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.474 HD12 ' O ' ' B' ' 1' ' ' PHE . 67.3 mt -60.12 -39.63 81.05 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.438 0 O-C-N 121.359 -1.083 . . . . 0.0 109.807 179.618 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 46.7 t0 -55.85 -49.02 74.46 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.036 -1.04 . . . . 0.0 109.017 -178.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -68.99 -40.36 78.82 Favored 'General case' 0 C--N 1.3 -1.581 0 C-N-CA 118.453 -1.299 . . . . 0.0 109.428 178.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.63 -38.12 83.45 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.097 -1.002 . . . . 0.0 109.779 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 9' ' ' GLN . . . . . 0.421 ' N ' ' O ' ' B' ' 5' ' ' ILE . 60.4 tt0 -56.27 -41.22 75.47 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.144 -0.973 . . . . 0.0 109.628 -179.477 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 78.9 tt0 -61.75 -41.08 97.21 Favored 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 119.618 -0.833 . . . . 0.0 108.906 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 23.6 tp10 -60.28 -39.83 88.26 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.041 -1.037 . . . . 0.0 108.557 179.682 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 12' ' ' HIS . . . . . 0.529 ' O ' ' N ' ' B' ' 16' ' ' HIS . 16.5 t60 -60.62 -47.59 85.55 Favored 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 119.917 -0.713 . . . . 0.0 109.494 179.45 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -60.24 -43.72 95.85 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.375 -0.828 . . . . 0.0 110.718 -178.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 25.3 mtpp -60.52 -32.67 71.68 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.193 -0.942 . . . . 0.0 112.736 -178.48 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -139.66 -3.21 1.49 Allowed 'General case' 0 N--CA 1.505 2.297 0 O-C-N 120.723 -1.235 . . . . 0.0 112.88 -176.654 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.529 ' N ' ' O ' ' B' ' 12' ' ' HIS . 82.2 m-70 54.17 45.46 27.36 Favored 'General case' 0 N--CA 1.498 1.932 0 N-CA-C 106.871 -1.529 . . . . 0.0 106.871 -177.435 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 96.3 p -69.49 154.12 42.49 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.544 -0.723 . . . . 0.0 110.248 -178.333 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 35.7 m120 -70.4 158.51 35.86 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.302 -0.874 . . . . 0.0 108.973 179.525 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 56.9 p-90 -57.29 -31.65 65.85 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.351 -0.843 . . . . 0.0 110.503 -179.334 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 80.1 mtm180 -60.51 -39.24 87.05 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.143 -0.973 . . . . 0.0 109.817 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.69 -50.3 45.15 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.229 -0.919 . . . . 0.0 109.905 -179.59 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 79.4 mtm -59.99 -39.46 85.8 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.127 -0.983 . . . . 0.0 109.455 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.519 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -57.83 -46.37 84.82 Favored 'General case' 0 C--N 1.303 -1.421 0 C-N-CA 119.266 -0.974 . . . . 0.0 109.409 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 24.9 t -69.64 -36.34 76.02 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.224 -0.923 . . . . 0.0 110.058 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -60.01 -40.2 88.43 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.132 -0.98 . . . . 0.0 110.295 -179.033 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -113.1 0.13 14.87 Favored 'General case' 0 N--CA 1.505 2.297 0 O-C-N 121.308 -0.87 . . . . 0.0 110.448 -179.303 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.519 ' N ' ' O ' ' B' ' 23' ' ' ALA . 78.0 m-20 56.86 46.65 19.36 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.42 -0.8 . . . . 0.0 110.272 179.792 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 68.4 mt -109.76 151.24 42.21 Favored Pre-proline 0 N--CA 1.496 1.852 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 179.322 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -61.12 151.09 81.11 Favored 'Trans proline' 0 C--N 1.309 -1.531 0 C-N-CA 121.439 1.426 . . . . 0.0 111.262 179.662 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_exo -44.26 -37.78 10.5 Favored 'Trans proline' 0 C--N 1.311 -1.405 0 C-N-CA 122.421 2.081 . . . . 0.0 112.728 -179.652 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 49.8 t -54.53 -49.83 63.21 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.781 0 O-C-N 121.156 -0.965 . . . . 0.0 110.488 -177.73 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 63.4 t -65.25 -47.5 87.09 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.763 0 C-N-CA 118.44 -1.304 . . . . 0.0 109.575 -178.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.41 -44.36 83.19 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.454 -0.779 . . . . 0.0 109.904 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 56.0 mtpt -61.98 -37.16 83.76 Favored 'General case' 0 C--N 1.306 -1.312 0 O-C-N 121.288 -0.883 . . . . 0.0 110.632 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 16.7 tm-20 -59.85 -39.91 86.78 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.785 -1.197 . . . . 0.0 109.767 -179.344 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 91.4 mt -59.7 -40.28 81.93 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 O-C-N 120.782 -1.199 . . . . 0.0 108.175 179.036 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 86.9 t -65.69 -38.7 82.91 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 178.59 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.05 -38.37 79.19 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.577 -0.702 . . . . 0.0 109.883 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 26.4 m -76.41 -23.17 54.0 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.03 -1.044 . . . . 0.0 109.53 -179.441 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 53.1 t -80.38 99.61 8.03 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.122 -0.986 . . . . 0.0 109.048 179.677 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 41' ' ' ASP . . . . . 0.454 ' O ' ' O ' ' B' ' 45' ' ' LEU . 96.9 m-20 -61.48 -30.03 70.35 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.615 -0.678 . . . . 0.0 110.095 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 62.4 mttm -68.11 -38.13 81.91 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.028 -1.045 . . . . 0.0 110.531 -178.424 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 54.1 m -84.17 -53.63 5.38 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.932 -1.105 . . . . 0.0 110.333 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 44' ' ' GLN . . . . . 0.404 ' OE1' ' OE1' ' A' ' 44' ' ' GLN . 44.2 tt0 -69.99 -60.04 2.54 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 120.847 -1.158 . . . . 0.0 109.715 -179.023 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.454 ' O ' ' O ' ' B' ' 41' ' ' ASP . 26.4 mt -83.05 102.66 11.93 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.16 -0.963 . . . . 0.0 109.469 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 45.1 tttp -88.38 -13.0 41.67 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.214 -0.929 . . . . 0.0 108.994 179.719 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.05 33.1 33.86 Favored Glycine 0 N--CA 1.493 2.456 0 C-N-CA 119.84 -1.171 . . . . 0.0 110.369 179.158 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -64.0 -20.66 66.06 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.975 -1.309 . . . . 0.0 109.649 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -95.39 134.46 38.18 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.145 -0.972 . . . . 0.0 109.018 179.706 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 50' ' ' MET . . . . . 0.439 ' HG2' ' H ' ' B' ' 51' ' ' HIS . 15.1 ttp -172.99 177.41 2.78 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.313 -0.867 . . . . 0.0 109.363 -179.742 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 51' ' ' HIS . . . . . 0.439 ' H ' ' HG2' ' B' ' 50' ' ' MET . 70.2 t60 -49.64 -33.2 14.84 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.255 -0.903 . . . . 0.0 109.759 179.756 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 94.79 1.06 63.75 Favored Glycine 0 N--CA 1.499 2.899 0 N-CA-C 110.205 -1.158 . . . . 0.0 110.205 179.568 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 52.92 65.67 1.45 Allowed 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.331 -1.1 . . . . 0.0 109.015 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 2.4 t -95.4 152.84 3.64 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.993 0 O-C-N 121.154 -0.966 . . . . 0.0 109.747 -179.019 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 64.1 t0 . . . . . 0 N--CA 1.492 1.657 0 CA-C-O 118.016 -0.992 . . . . 0.0 109.766 -179.185 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.442 ' O ' HD12 ' A' ' 5' ' ' ILE . 91.1 m-85 . . . . . 0 N--CA 1.49 1.544 0 CA-C-O 121.567 0.699 . . . . 0.0 109.54 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 23.1 mt -75.91 -41.83 50.72 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.501 -0.749 . . . . 0.0 110.994 -178.656 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 58.9 t0 -65.36 -50.01 67.19 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.878 -1.139 . . . . 0.0 110.459 -178.823 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.78 -48.95 66.43 Favored Glycine 0 N--CA 1.494 2.563 0 N-CA-C 109.975 -1.25 . . . . 0.0 109.975 -179.32 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.515 HD11 HG11 ' B' ' 31' ' ' VAL . 77.6 mt -58.9 -39.67 78.29 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.13 -1.218 . . . . 0.0 110.361 -179.588 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -54.16 -46.17 72.22 Favored 'General case' 0 C--N 1.296 -1.737 0 O-C-N 120.491 -1.38 . . . . 0.0 108.946 -179.214 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -70.08 -42.75 72.37 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.911 -1.118 . . . . 0.0 109.583 178.271 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.39 -38.28 84.45 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.284 -0.885 . . . . 0.0 109.292 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.462 ' N ' ' O ' ' A' ' 5' ' ' ILE . 60.1 tt0 -57.44 -40.64 78.86 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.613 -0.679 . . . . 0.0 109.41 -179.671 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -61.13 -40.48 93.96 Favored 'General case' 0 C--N 1.301 -1.502 0 C-N-CA 118.992 -1.083 . . . . 0.0 108.836 179.393 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 15.2 tm-20 -62.44 -40.7 97.41 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.046 -1.034 . . . . 0.0 109.331 179.145 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.556 ' O ' ' N ' ' A' ' 16' ' ' HIS . 13.2 t60 -59.96 -44.16 94.59 Favored 'General case' 0 C--N 1.304 -1.401 0 C-N-CA 119.225 -0.99 . . . . 0.0 109.029 179.723 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -60.68 -45.64 93.41 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.839 -1.163 . . . . 0.0 110.934 -179.526 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 54.5 mtmt -60.47 -32.21 71.19 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.09 -1.006 . . . . 0.0 112.595 -178.314 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 45.3 m-85 -137.87 -4.98 1.73 Allowed 'General case' 0 N--CA 1.509 2.475 0 O-C-N 120.65 -1.281 . . . . 0.0 113.043 -177.04 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.556 ' N ' ' O ' ' A' ' 12' ' ' HIS . 92.7 m-70 54.71 42.72 31.01 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 120.503 -1.373 . . . . 0.0 107.511 -177.788 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 78.6 p -63.89 158.01 23.27 Favored 'General case' 0 C--N 1.297 -1.689 0 CA-C-O 121.504 0.669 . . . . 0.0 110.73 -178.232 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 -74.31 159.03 32.97 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.594 -0.691 . . . . 0.0 109.261 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 38.6 p-90 -57.71 -29.79 64.99 Favored 'General case' 0 C--N 1.303 -1.432 0 C-N-CA 119.33 -0.948 . . . . 0.0 109.909 -179.695 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 80.4 mtm180 -63.87 -40.29 96.2 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 120.898 -1.126 . . . . 0.0 110.364 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.83 -47.81 61.34 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.125 -0.984 . . . . 0.0 108.984 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 78.2 mtm -61.05 -40.23 92.86 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.316 -0.865 . . . . 0.0 109.447 179.724 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.5 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -59.63 -45.87 90.67 Favored 'General case' 0 N--CA 1.492 1.626 0 C-N-CA 119.513 -0.875 . . . . 0.0 109.174 179.569 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 43.6 t -70.76 -37.16 73.38 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.506 -0.746 . . . . 0.0 110.249 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -60.24 -39.31 86.24 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.258 -0.901 . . . . 0.0 109.962 -178.397 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -111.51 -2.52 15.47 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.566 -0.709 . . . . 0.0 110.045 -179.57 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.5 ' N ' ' O ' ' A' ' 23' ' ' ALA . 11.1 t-20 59.74 47.09 10.79 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.639 -0.663 . . . . 0.0 109.562 179.82 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 53.0 mt -113.62 152.15 45.18 Favored Pre-proline 0 N--CA 1.502 2.157 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 179.353 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -60.13 149.39 85.16 Favored 'Trans proline' 0 C--N 1.312 -1.345 0 C-N-CA 121.65 1.566 . . . . 0.0 111.509 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -41.19 -37.7 2.99 Favored 'Trans proline' 0 C--N 1.31 -1.455 0 C-N-CA 121.922 1.748 . . . . 0.0 111.854 178.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.55 HG11 HD11 ' B' ' 5' ' ' ILE . 98.4 t -50.49 -51.83 17.66 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.766 0 O-C-N 121.264 -0.897 . . . . 0.0 110.747 -177.745 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 58.1 t -66.32 -48.54 80.66 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.937 0 C-N-CA 118.545 -1.262 . . . . 0.0 109.327 -178.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.54 -46.69 84.8 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.281 -0.887 . . . . 0.0 110.491 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 43.7 mtmt -60.52 -37.44 81.18 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 120.895 -1.128 . . . . 0.0 110.199 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.2 tm-20 -60.81 -39.97 90.95 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.012 -1.055 . . . . 0.0 110.107 -178.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 50.0 mt -59.72 -39.74 80.54 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 O-C-N 120.789 -1.194 . . . . 0.0 108.702 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 59.8 t -63.68 -39.66 86.17 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.029 -1.045 . . . . 0.0 108.506 179.481 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.414 ' O ' ' OE1' ' A' ' 44' ' ' GLN . . . -60.65 -31.18 70.4 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.521 -0.737 . . . . 0.0 109.344 179.015 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 68.5 m -77.09 -28.19 54.43 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.277 -0.89 . . . . 0.0 109.864 -179.213 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 43.0 t -82.25 103.11 11.6 Favored 'General case' 0 N--CA 1.486 1.365 0 O-C-N 121.273 -0.892 . . . . 0.0 109.899 -179.629 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -60.57 -29.96 69.51 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.458 -0.776 . . . . 0.0 110.023 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 64.1 mttp -69.97 -39.53 75.9 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.939 -1.101 . . . . 0.0 110.703 -178.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 62.1 m -84.99 -30.1 24.47 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.705 -1.247 . . . . 0.0 109.639 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.549 ' NE2' ' OE1' ' B' ' 44' ' ' GLN . 55.5 tt0 -78.9 -69.73 0.55 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.062 -1.024 . . . . 0.0 110.212 -179.239 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 40.0 mt -80.09 99.99 7.99 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.056 -1.028 . . . . 0.0 109.522 -179.372 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -90.64 -8.23 50.58 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.218 -0.926 . . . . 0.0 108.828 179.38 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.84 35.79 11.04 Favored Glycine 0 N--CA 1.493 2.456 0 N-CA-C 109.854 -1.298 . . . . 0.0 109.854 179.443 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -74.8 -10.32 59.39 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.125 -1.221 . . . . 0.0 110.072 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 1.096 ' HB3' ' HB3' ' B' ' 49' ' ' ALA . . . -92.05 4.09 53.84 Favored 'General case' 0 N--CA 1.501 2.114 0 O-C-N 121.072 -1.018 . . . . 0.0 109.484 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 23.7 ptm -64.4 160.76 18.4 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.199 -0.938 . . . . 0.0 109.524 -179.599 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 42.1 p-80 -65.06 157.43 28.48 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.457 -0.777 . . . . 0.0 109.91 -179.136 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -97.37 -85.24 1.78 Allowed Glycine 0 N--CA 1.492 2.383 0 N-CA-C 108.739 -1.745 . . . . 0.0 108.739 179.695 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.416 ' O ' ' O ' ' A' ' 54' ' ' VAL . 86.3 mt-30 -122.73 79.42 1.63 Allowed 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.817 -0.814 . . . . 0.0 108.854 179.499 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.439 HG12 ' N ' ' A' ' 55' ' ' ASP . 8.0 t 55.68 168.39 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 O-C-N 121.12 -0.987 . . . . 0.0 109.627 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.439 ' N ' HG12 ' A' ' 54' ' ' VAL . 62.4 t0 . . . . . 0 N--CA 1.495 1.799 0 CA-C-O 117.955 -1.021 . . . . 0.0 109.34 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 1' ' ' PHE . . . . . 0.466 ' O ' HD12 ' B' ' 5' ' ' ILE . 88.3 m-85 . . . . . 0 N--CA 1.488 1.455 0 CA-C-O 121.511 0.672 . . . . 0.0 109.55 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 23.5 mt -76.45 -42.83 42.51 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.58 -0.7 . . . . 0.0 110.649 -179.016 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 57.2 t0 -63.27 -52.05 63.64 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.067 -1.021 . . . . 0.0 110.518 -178.791 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.61 -49.53 72.59 Favored Glycine 0 N--CA 1.495 2.592 0 N-CA-C 110.205 -1.158 . . . . 0.0 110.205 -179.245 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.55 HD11 HG11 ' A' ' 31' ' ' VAL . 79.1 mt -58.87 -38.74 74.8 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.279 -1.13 . . . . 0.0 110.337 -179.579 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -54.68 -45.7 73.96 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 120.669 -1.269 . . . . 0.0 108.759 -179.467 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -70.36 -42.53 71.68 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.043 -1.036 . . . . 0.0 109.658 178.531 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.06 -38.89 82.95 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.312 -0.868 . . . . 0.0 109.563 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' GLN . . . . . 0.415 ' N ' ' O ' ' B' ' 5' ' ' ILE . 59.2 tt0 -57.41 -40.44 78.3 Favored 'General case' 0 C--N 1.298 -1.649 0 O-C-N 121.268 -0.895 . . . . 0.0 109.131 -179.749 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -61.14 -41.31 96.5 Favored 'General case' 0 C--N 1.302 -1.496 0 C-N-CA 119.093 -1.043 . . . . 0.0 108.605 179.126 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 15.2 tm-20 -61.73 -40.69 95.96 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.217 -0.927 . . . . 0.0 109.211 179.26 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 12' ' ' HIS . . . . . 0.512 ' O ' ' N ' ' B' ' 16' ' ' HIS . 12.7 t60 -59.87 -43.46 94.71 Favored 'General case' 0 C--N 1.302 -1.492 0 C-N-CA 119.099 -1.04 . . . . 0.0 109.123 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -61.08 -45.75 93.45 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.093 -1.004 . . . . 0.0 111.068 -179.619 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 54.8 mtmt -60.74 -31.04 70.37 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.23 -0.919 . . . . 0.0 113.004 -178.319 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 48.1 m-85 -139.15 -5.05 1.47 Allowed 'General case' 0 N--CA 1.507 2.404 0 O-C-N 120.614 -1.304 . . . . 0.0 112.7 -176.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.512 ' N ' ' O ' ' B' ' 12' ' ' HIS . 91.8 m-70 54.35 42.05 31.64 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 120.629 -1.294 . . . . 0.0 107.9 -178.018 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 82.4 p -62.61 159.0 16.87 Favored 'General case' 0 C--N 1.297 -1.676 0 CA-C-O 121.573 0.702 . . . . 0.0 110.64 -178.602 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -75.31 159.39 31.53 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.493 -0.754 . . . . 0.0 109.61 179.549 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 32.5 p-90 -57.85 -30.06 65.48 Favored 'General case' 0 C--N 1.305 -1.365 0 C-N-CA 119.503 -0.879 . . . . 0.0 110.065 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 79.2 mtm180 -63.34 -40.66 97.91 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.12 -0.988 . . . . 0.0 110.053 179.581 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.69 -48.01 61.16 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.346 -0.846 . . . . 0.0 109.158 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 77.3 mtm -60.34 -40.73 91.75 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.431 -0.793 . . . . 0.0 109.221 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.517 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -58.95 -46.43 88.05 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.393 -0.817 . . . . 0.0 109.303 179.407 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 47.8 t -70.32 -37.65 74.76 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.54 -0.725 . . . . 0.0 110.261 179.719 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -59.89 -39.16 84.4 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.372 -0.83 . . . . 0.0 110.109 -178.468 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -112.24 -2.36 14.91 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.555 -0.715 . . . . 0.0 109.795 -179.613 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.517 ' N ' ' O ' ' B' ' 23' ' ' ALA . 11.6 t-20 59.36 48.84 9.55 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.52 -0.738 . . . . 0.0 109.466 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 53.8 mt -115.03 152.48 46.62 Favored Pre-proline 0 N--CA 1.501 2.113 0 N-CA-C 108.412 -0.959 . . . . 0.0 108.412 179.605 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -60.35 150.18 81.87 Favored 'Trans proline' 0 C--N 1.313 -1.303 0 C-N-CA 121.518 1.479 . . . . 0.0 111.722 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -41.87 -37.79 4.37 Favored 'Trans proline' 0 C--N 1.308 -1.575 0 C-N-CA 121.885 1.723 . . . . 0.0 111.584 178.577 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.515 HG11 HD11 ' A' ' 5' ' ' ILE . 73.8 t -50.72 -51.97 18.15 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.622 0 O-C-N 121.19 -0.944 . . . . 0.0 110.916 -177.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 84.0 t -66.54 -48.19 81.23 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.015 0 C-N-CA 118.561 -1.256 . . . . 0.0 109.235 -179.338 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.61 -46.87 83.79 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.315 -0.866 . . . . 0.0 110.385 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 43.5 mtmt -60.94 -36.48 79.44 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.868 -1.145 . . . . 0.0 110.296 -179.711 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -60.78 -39.85 90.37 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 119.212 -0.995 . . . . 0.0 110.164 -178.562 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 50.9 mt -59.82 -40.1 81.73 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 O-C-N 120.871 -1.143 . . . . 0.0 108.76 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 58.2 t -63.24 -40.17 88.04 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.451 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 179.395 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 38' ' ' ALA . . . . . 0.548 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -60.73 -31.27 70.58 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.402 -0.811 . . . . 0.0 109.501 179.147 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 66.7 m -77.06 -28.18 54.59 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.238 -0.914 . . . . 0.0 109.63 -179.569 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 48.2 t -82.05 102.01 10.73 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.31 -0.869 . . . . 0.0 110.068 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -60.12 -29.94 68.95 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.424 -0.798 . . . . 0.0 110.212 179.674 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -69.63 -38.46 77.22 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 120.868 -1.145 . . . . 0.0 110.847 -178.769 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 60.0 m -85.93 -31.21 22.26 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.922 -1.111 . . . . 0.0 109.863 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 44' ' ' GLN . . . . . 0.549 ' OE1' ' NE2' ' A' ' 44' ' ' GLN . 6.7 tt0 -77.87 -69.14 0.56 Allowed 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.181 -0.95 . . . . 0.0 110.085 -178.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 34.9 mt -80.82 101.0 9.1 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.078 -1.014 . . . . 0.0 109.452 -179.372 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -91.57 -7.5 50.05 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.24 -0.912 . . . . 0.0 108.599 179.358 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.68 36.6 10.29 Favored Glycine 0 N--CA 1.494 2.519 0 N-CA-C 109.913 -1.275 . . . . 0.0 109.913 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -75.38 -11.02 59.96 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.283 -1.127 . . . . 0.0 110.114 -179.711 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 49' ' ' ALA . . . . . 1.096 ' HB3' ' HB3' ' A' ' 49' ' ' ALA . . . -91.87 5.64 49.2 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.045 -1.034 . . . . 0.0 109.567 -179.764 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 22.9 ptm -65.76 162.2 19.21 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.045 -1.035 . . . . 0.0 109.546 -179.649 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 38.0 p-80 -65.59 155.82 34.63 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.438 -0.789 . . . . 0.0 109.893 -179.068 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -94.64 -86.46 1.68 Allowed Glycine 0 N--CA 1.493 2.467 0 N-CA-C 108.621 -1.791 . . . . 0.0 108.621 179.64 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 53' ' ' GLN . . . . . 0.405 ' O ' ' O ' ' B' ' 54' ' ' VAL . 83.3 mt-30 -122.44 79.06 1.57 Allowed 'General case' 0 N--CA 1.492 1.653 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 179.347 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.405 ' O ' ' O ' ' B' ' 53' ' ' GLN . 5.0 t 56.68 167.21 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.353 -0.842 . . . . 0.0 109.668 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.401 ' N ' HG12 ' B' ' 54' ' ' VAL . 60.6 t0 . . . . . 0 N--CA 1.496 1.844 0 CA-C-O 118.016 -0.992 . . . . 0.0 109.519 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.458 ' CE2' ' CE2' ' B' ' 1' ' ' PHE . 76.4 m-85 . . . . . 0 N--CA 1.49 1.538 0 CA-C-O 121.368 0.604 . . . . 0.0 110.214 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 14.1 mt -71.39 -35.56 71.09 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.275 -0.891 . . . . 0.0 111.245 -178.274 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 -62.77 -52.46 63.12 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.722 -1.236 . . . . 0.0 110.685 -178.803 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.04 -44.98 93.55 Favored Glycine 0 N--CA 1.49 2.264 0 N-CA-C 109.9 -1.28 . . . . 0.0 109.9 -179.511 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.505 HD11 HG11 ' B' ' 31' ' ' VAL . 87.2 mt -60.01 -39.55 80.6 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.471 0 O-C-N 121.267 -1.137 . . . . 0.0 110.945 -179.303 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -55.05 -45.71 75.3 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.035 -1.04 . . . . 0.0 108.942 -179.101 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 36.1 mtmm -69.6 -43.93 71.76 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 120.976 -1.078 . . . . 0.0 109.478 178.597 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.96 -34.2 77.57 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.321 -0.862 . . . . 0.0 109.57 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.415 ' N ' ' O ' ' A' ' 5' ' ' ILE . 56.1 tt0 -57.75 -42.25 83.56 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.061 -1.024 . . . . 0.0 108.902 -179.658 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -61.91 -40.75 96.56 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.386 -0.821 . . . . 0.0 109.046 179.421 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.2 tm-20 -61.16 -40.52 94.17 Favored 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 179.303 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.538 ' O ' ' N ' ' A' ' 16' ' ' HIS . 13.3 t60 -62.59 -46.54 87.85 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 120.019 -0.672 . . . . 0.0 110.192 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 78.5 tt0 -60.68 -42.62 97.47 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.237 -0.915 . . . . 0.0 110.616 -179.404 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -63.1 -30.62 71.74 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.33 -0.856 . . . . 0.0 112.621 -178.281 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -140.34 -4.67 1.28 Allowed 'General case' 0 N--CA 1.507 2.41 0 O-C-N 120.759 -1.213 . . . . 0.0 112.969 -176.672 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.538 ' N ' ' O ' ' A' ' 12' ' ' HIS . 90.7 m-70 54.52 45.19 27.5 Favored 'General case' 0 N--CA 1.495 1.809 0 N-CA-C 107.154 -1.424 . . . . 0.0 107.154 -177.514 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 95.1 p -65.86 156.16 34.18 Favored 'General case' 0 C--N 1.305 -1.336 0 CA-C-O 121.36 0.6 . . . . 0.0 110.363 -178.581 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -73.07 159.29 33.83 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.416 -0.803 . . . . 0.0 108.918 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 42.2 p-90 -56.9 -29.43 63.02 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.303 -0.873 . . . . 0.0 110.225 -179.693 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 72.3 mtm180 -62.61 -40.6 97.47 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.621 -1.299 . . . . 0.0 109.823 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.16 -50.42 61.24 Favored 'General case' 0 C--N 1.3 -1.552 0 C-N-CA 119.694 -0.802 . . . . 0.0 109.59 -179.052 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 78.0 mtm -61.16 -40.66 94.69 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 121.33 -0.857 . . . . 0.0 109.35 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.483 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -58.02 -49.77 75.72 Favored 'General case' 0 C--N 1.303 -1.43 0 C-N-CA 119.521 -0.871 . . . . 0.0 109.231 179.739 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 42.7 t -70.41 -36.43 74.03 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.672 -0.642 . . . . 0.0 110.382 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -59.87 -40.42 88.6 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.261 -0.899 . . . . 0.0 110.524 -178.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -112.17 0.27 15.79 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 121.388 -0.82 . . . . 0.0 109.905 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.483 ' N ' ' O ' ' A' ' 23' ' ' ALA . 42.2 t30 60.01 46.28 11.09 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.233 -0.917 . . . . 0.0 109.937 179.619 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 51.0 mt -110.32 151.69 42.79 Favored Pre-proline 0 N--CA 1.5 2.065 0 N-CA-C 108.204 -1.036 . . . . 0.0 108.204 179.446 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 21.5 Cg_endo -60.9 162.29 19.38 Favored 'Trans proline' 0 N--CA 1.492 1.421 0 C-N-CA 121.776 1.65 . . . . 0.0 111.269 179.566 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_endo -56.42 -34.85 95.56 Favored 'Trans proline' 0 C--N 1.302 -1.901 0 C-N-CA 122.267 1.978 . . . . 0.0 111.974 -179.623 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.41 HG11 HD11 ' B' ' 5' ' ' ILE . 79.7 t -56.21 -49.44 76.2 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.618 0 O-C-N 120.839 -1.163 . . . . 0.0 109.649 -179.158 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 66.2 t -64.96 -49.3 80.38 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.781 0 C-N-CA 118.712 -1.195 . . . . 0.0 109.464 -179.085 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.16 -46.28 81.52 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.548 -0.72 . . . . 0.0 110.361 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.468 ' CB ' ' NZ ' ' A' ' 34' ' ' LYS . 8.4 mtmp? -61.29 -34.87 75.92 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 120.607 -1.308 . . . . 0.0 109.829 179.47 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.436 ' OE2' ' NZ ' ' B' ' 34' ' ' LYS . 16.0 tm-20 -61.04 -39.96 91.78 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.918 -1.114 . . . . 0.0 110.362 -179.25 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 69.8 mt -60.38 -39.44 80.99 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 O-C-N 120.922 -1.111 . . . . 0.0 108.092 179.437 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 94.6 t -65.6 -39.03 83.77 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.421 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 178.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.408 ' O ' ' OE1' ' A' ' 44' ' ' GLN . . . -61.24 -30.7 70.61 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.684 -0.635 . . . . 0.0 109.691 179.721 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.9 m -80.2 -26.18 39.32 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.806 -1.184 . . . . 0.0 109.638 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 40.8 t -81.35 102.44 10.45 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.211 -0.93 . . . . 0.0 109.483 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -60.06 -29.62 68.66 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.563 -0.711 . . . . 0.0 110.37 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -69.87 -39.9 76.03 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.791 -1.193 . . . . 0.0 110.384 -178.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 69.2 m -84.64 -23.65 29.42 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.03 -1.044 . . . . 0.0 109.343 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.408 ' OE1' ' O ' ' A' ' 38' ' ' ALA . 36.2 tt0 -78.51 -70.34 0.5 Allowed 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.936 -1.103 . . . . 0.0 109.019 179.278 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 81.8 mt -81.72 108.81 15.57 Favored 'General case' 0 N--CA 1.491 1.609 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 179.346 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 23.5 ttpp -89.16 2.72 53.77 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.193 -0.942 . . . . 0.0 108.962 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 108.78 1.4 32.26 Favored Glycine 0 N--CA 1.497 2.714 0 N-CA-C 109.634 -1.386 . . . . 0.0 109.634 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 75.5 mt-10 -71.22 -149.94 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.259 -1.142 . . . . 0.0 108.541 179.394 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 56.0 26.43 9.95 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 120.8 -1.187 . . . . 0.0 109.926 179.765 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 23.3 ptt? -69.85 144.05 52.67 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.048 -1.033 . . . . 0.0 108.807 179.213 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 51.3 t-80 -59.03 -37.95 78.17 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.057 -1.027 . . . . 0.0 109.554 -179.179 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 161.85 177.54 35.0 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.208 -1.557 . . . . 0.0 109.208 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.508 ' O ' ' O ' ' A' ' 54' ' ' VAL . 53.6 tp60 -98.89 35.23 1.91 Allowed 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.299 -1.118 . . . . 0.0 109.018 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.508 ' O ' ' O ' ' A' ' 53' ' ' GLN . 30.0 m 48.81 115.12 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.5 2.05 0 CA-C-O 122.651 1.215 . . . . 0.0 110.805 -179.49 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 45.9 p-10 . . . . . 0 N--CA 1.493 1.704 0 O-C-N 120.661 -1.274 . . . . 0.0 109.582 -179.133 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' PHE . . . . . 0.458 ' CE2' ' CE2' ' A' ' 1' ' ' PHE . 74.8 m-85 . . . . . 0 N--CA 1.49 1.568 0 CA-C-O 121.235 0.541 . . . . 0.0 110.162 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 14.2 mt -71.6 -35.9 70.66 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.229 -0.92 . . . . 0.0 111.351 -178.272 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -62.71 -50.82 69.62 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 120.649 -1.282 . . . . 0.0 110.775 -178.617 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.89 -45.48 87.9 Favored Glycine 0 N--CA 1.487 2.079 0 N-CA-C 109.99 -1.244 . . . . 0.0 109.99 -179.702 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.422 HD12 ' O ' ' B' ' 1' ' ' PHE . 86.3 mt -60.02 -39.64 80.88 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.472 0 O-C-N 121.339 -1.095 . . . . 0.0 111.025 -179.101 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -55.28 -45.43 76.19 Favored 'General case' 0 C--N 1.304 -1.404 0 C-N-CA 119.015 -1.074 . . . . 0.0 108.963 -178.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 36.5 mtmm -69.68 -44.02 71.33 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.062 -1.024 . . . . 0.0 109.029 178.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.63 -34.7 78.83 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.284 -0.885 . . . . 0.0 109.674 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 57.7 tt0 -57.83 -41.72 82.86 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.021 -1.049 . . . . 0.0 109.089 -179.483 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -62.21 -40.64 96.77 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.146 -0.971 . . . . 0.0 109.08 179.088 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 14.6 tm-20 -61.06 -40.59 94.24 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.171 -0.956 . . . . 0.0 108.676 179.493 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' HIS . . . . . 0.523 ' O ' ' N ' ' B' ' 16' ' ' HIS . 13.4 t60 -62.45 -46.44 88.52 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 119.79 -0.764 . . . . 0.0 110.323 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 -60.45 -42.34 95.94 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.2 -0.937 . . . . 0.0 110.548 -179.583 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -63.75 -30.34 71.45 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.054 -1.028 . . . . 0.0 112.644 -178.235 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -140.36 -4.68 1.28 Allowed 'General case' 0 N--CA 1.507 2.387 0 O-C-N 120.693 -1.255 . . . . 0.0 112.958 -176.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.523 ' N ' ' O ' ' B' ' 12' ' ' HIS . 90.4 m-70 54.47 44.58 28.6 Favored 'General case' 0 N--CA 1.498 1.96 0 N-CA-C 107.115 -1.439 . . . . 0.0 107.115 -177.693 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 99.2 p -65.45 156.1 33.46 Favored 'General case' 0 C--N 1.302 -1.497 0 CA-C-O 121.574 0.702 . . . . 0.0 110.48 -178.41 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -72.79 158.69 35.08 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.093 -1.004 . . . . 0.0 109.445 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 38.7 p-90 -56.91 -29.26 62.89 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.043 -1.036 . . . . 0.0 110.526 -179.47 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 72.3 mtm180 -62.35 -40.63 97.02 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.675 -1.266 . . . . 0.0 109.864 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.34 -50.36 60.26 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.277 -0.889 . . . . 0.0 109.571 -179.27 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 77.8 mtm -61.13 -39.79 91.37 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 121.206 -0.934 . . . . 0.0 109.397 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.489 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -58.63 -49.2 78.37 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.302 -0.874 . . . . 0.0 109.01 179.773 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 38.3 t -70.6 -37.41 73.88 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.621 -0.675 . . . . 0.0 110.267 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 54.1 t0 -59.12 -40.46 85.49 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.244 -0.91 . . . . 0.0 110.49 -178.784 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -112.26 0.68 15.83 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.483 -0.761 . . . . 0.0 109.8 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.489 ' N ' ' O ' ' B' ' 23' ' ' ALA . 42.3 t30 59.68 44.51 14.19 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.194 -0.941 . . . . 0.0 110.203 179.474 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 48.3 mt -108.89 151.04 41.63 Favored Pre-proline 0 N--CA 1.499 1.976 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 179.534 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -60.81 162.6 18.2 Favored 'Trans proline' 0 C--N 1.312 -1.356 0 C-N-CA 121.496 1.464 . . . . 0.0 111.12 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_endo -56.62 -33.96 94.5 Favored 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 122.49 2.127 . . . . 0.0 112.24 -179.6 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.505 HG11 HD11 ' A' ' 5' ' ' ILE . 82.9 t -56.9 -49.24 79.67 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.693 0 O-C-N 120.776 -1.202 . . . . 0.0 109.624 -179.299 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 32' ' ' VAL . . . . . 0.403 HG13 HD11 ' B' ' 5' ' ' ILE . 66.2 t -65.39 -49.09 80.49 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.845 0 C-N-CA 118.673 -1.211 . . . . 0.0 109.236 -178.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.49 -46.23 80.56 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.586 -0.696 . . . . 0.0 110.204 -179.659 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.459 ' CB ' ' NZ ' ' B' ' 34' ' ' LYS . 8.3 mtmp? -61.24 -35.42 77.2 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.645 -1.284 . . . . 0.0 109.852 179.31 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 16.3 tm-20 -60.87 -39.92 90.98 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 120.98 -1.075 . . . . 0.0 110.246 -179.146 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 73.6 mt -60.2 -40.04 82.41 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 120.737 -1.227 . . . . 0.0 107.982 179.594 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 89.7 t -64.55 -40.07 87.77 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.566 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 178.743 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 38' ' ' ALA . . . . . 0.436 ' O ' ' OE1' ' B' ' 44' ' ' GLN . . . -60.09 -31.79 70.35 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.296 -0.878 . . . . 0.0 109.765 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 49.8 m -79.42 -26.43 41.87 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 120.855 -1.153 . . . . 0.0 109.483 -179.391 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 42.5 t -81.41 102.18 10.33 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.245 -0.909 . . . . 0.0 109.41 -179.69 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -60.54 -28.92 68.79 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.511 -0.743 . . . . 0.0 110.597 -179.545 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 61.5 mttp -69.94 -39.85 75.84 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.898 -1.126 . . . . 0.0 110.058 -179.368 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 69.3 m -84.7 -24.26 29.0 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.176 -0.952 . . . . 0.0 109.326 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 44' ' ' GLN . . . . . 0.436 ' OE1' ' O ' ' B' ' 38' ' ' ALA . 36.8 tt0 -77.56 -70.05 0.5 Allowed 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.044 -1.035 . . . . 0.0 108.907 179.32 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 78.3 mt -81.52 108.51 15.17 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.251 -0.906 . . . . 0.0 108.849 179.438 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 23.4 ttpp -89.51 2.84 54.04 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.089 -1.007 . . . . 0.0 108.803 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 109.1 0.34 31.55 Favored Glycine 0 N--CA 1.499 2.883 0 N-CA-C 109.74 -1.344 . . . . 0.0 109.74 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 77.1 mt-10 -70.79 -150.04 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.139 -1.212 . . . . 0.0 108.709 179.221 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . 55.57 27.03 9.8 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.045 -1.034 . . . . 0.0 109.828 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 23.2 ptt? -70.4 145.12 51.29 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.055 -1.028 . . . . 0.0 108.63 179.209 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 50.5 t-80 -59.68 -38.23 80.94 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.073 -1.017 . . . . 0.0 109.659 -179.496 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 162.29 178.51 36.23 Favored Glycine 0 N--CA 1.492 2.379 0 N-CA-C 109.48 -1.448 . . . . 0.0 109.48 179.526 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 53' ' ' GLN . . . . . 0.514 ' O ' ' O ' ' B' ' 54' ' ' VAL . 53.7 tp60 -98.94 35.22 1.92 Allowed 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.4 -1.059 . . . . 0.0 109.039 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.514 ' O ' ' O ' ' B' ' 53' ' ' GLN . 35.7 m 49.2 115.17 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.502 2.133 0 CA-C-O 122.447 1.118 . . . . 0.0 110.819 -179.451 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 45.6 p-10 . . . . . 0 N--CA 1.492 1.629 0 O-C-N 120.798 -1.189 . . . . 0.0 109.582 -179.342 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 37.4 m-85 . . . . . 0 N--CA 1.489 1.506 0 CA-C-O 121.428 0.632 . . . . 0.0 109.981 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 55.9 mt -71.54 -31.09 66.64 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.324 -0.86 . . . . 0.0 112.084 -178.275 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -62.63 -51.85 65.64 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.641 -1.287 . . . . 0.0 110.693 -178.143 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.15 -42.19 77.28 Favored Glycine 0 N--CA 1.491 2.322 0 N-CA-C 109.936 -1.266 . . . . 0.0 109.936 -179.484 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.414 ' O ' ' N ' ' A' ' 9' ' ' GLN . 91.9 mt -59.92 -40.45 82.91 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.547 0 O-C-N 121.412 -1.052 . . . . 0.0 110.105 -179.855 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -55.45 -47.01 76.73 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 120.897 -1.127 . . . . 0.0 108.855 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 17.4 ttmm -68.43 -44.45 74.95 Favored 'General case' 0 C--N 1.3 -1.56 0 C-N-CA 119.59 -0.844 . . . . 0.0 109.314 179.029 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.19 -36.34 83.74 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.476 -0.765 . . . . 0.0 109.039 179.748 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.414 ' N ' ' O ' ' A' ' 5' ' ' ILE . 55.4 tt0 -58.84 -40.28 83.76 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.337 -0.852 . . . . 0.0 109.309 -179.401 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -60.67 -39.94 90.24 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.067 -1.021 . . . . 0.0 108.391 178.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.7 tm-20 -60.48 -41.26 93.85 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.334 -0.854 . . . . 0.0 108.875 178.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.537 ' O ' ' N ' ' A' ' 16' ' ' HIS . 17.6 t60 -61.77 -44.77 96.23 Favored 'General case' 0 C--N 1.304 -1.412 0 C-N-CA 119.289 -0.964 . . . . 0.0 109.88 179.76 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.1 tp10 -60.53 -45.28 94.41 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.06 -1.025 . . . . 0.0 110.34 -179.19 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 52.6 mtmt -60.98 -32.2 71.77 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.48 -0.762 . . . . 0.0 112.973 -178.157 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 52.0 m-85 -137.69 -6.02 1.73 Allowed 'General case' 0 N--CA 1.506 2.33 0 O-C-N 120.765 -1.209 . . . . 0.0 112.812 -176.609 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.537 ' N ' ' O ' ' A' ' 12' ' ' HIS . 91.8 m-70 53.97 46.43 25.58 Favored 'General case' 0 N--CA 1.495 1.784 0 N-CA-C 107.33 -1.359 . . . . 0.0 107.33 -177.58 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 87.7 p -69.06 159.68 32.43 Favored 'General case' 0 N--CA 1.486 1.355 0 CA-C-O 121.534 0.683 . . . . 0.0 110.616 -178.253 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 -74.16 157.59 35.68 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 179.525 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 50.2 p-90 -59.25 -31.22 68.89 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.047 -1.033 . . . . 0.0 109.841 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 83.6 mtm180 -61.47 -40.67 95.36 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.936 -1.103 . . . . 0.0 108.691 179.707 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.89 -49.75 55.52 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.354 -0.841 . . . . 0.0 109.038 179.432 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 76.2 mtm -61.48 -41.81 97.83 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.141 -0.975 . . . . 0.0 109.635 179.672 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.525 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -59.92 -43.54 94.86 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.205 -0.935 . . . . 0.0 109.022 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 8.6 t -71.7 -34.78 69.9 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.626 -0.671 . . . . 0.0 109.949 179.449 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -61.77 -42.61 99.21 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.39 -0.819 . . . . 0.0 109.642 -179.41 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -108.2 0.15 21.3 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.64 -0.663 . . . . 0.0 110.227 -179.492 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.525 ' N ' ' O ' ' A' ' 23' ' ' ALA . 75.5 m-20 53.65 48.31 21.86 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.382 -0.824 . . . . 0.0 109.565 179.702 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 83.5 mt -112.34 149.29 40.79 Favored Pre-proline 0 N--CA 1.499 2.006 0 O-C-N 121.172 -0.955 . . . . 0.0 108.981 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_exo -44.66 145.3 2.81 Favored 'Trans proline' 0 N--CA 1.49 1.268 0 C-N-CA 121.785 1.657 . . . . 0.0 111.252 178.574 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -46.61 -39.19 22.9 Favored 'Trans proline' 0 C--N 1.31 -1.485 0 C-N-CA 121.34 1.36 . . . . 0.0 111.268 178.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 67.1 t -51.91 -48.34 39.96 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.573 0 O-C-N 121.721 -0.612 . . . . 0.0 110.595 -178.476 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 60.7 t -65.19 -48.14 84.78 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.726 0 C-N-CA 118.293 -1.363 . . . . 0.0 109.209 -178.687 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.96 -46.33 78.51 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.387 -0.821 . . . . 0.0 109.467 179.33 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -60.25 -36.61 78.15 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.021 -1.05 . . . . 0.0 110.583 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.8 tm-20 -62.89 -37.63 87.72 Favored 'General case' 0 N--CA 1.487 1.406 0 C-N-CA 119.306 -0.958 . . . . 0.0 110.064 -179.325 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 84.4 mt -60.2 -40.04 82.43 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.448 0 O-C-N 120.707 -1.246 . . . . 0.0 109.137 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 77.2 t -63.69 -39.45 85.4 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 178.473 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.569 ' O ' ' NE2' ' A' ' 44' ' ' GLN . . . -59.77 -29.54 68.26 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.345 -0.847 . . . . 0.0 109.093 179.153 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 44.8 m -78.15 -29.43 48.68 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.142 -0.974 . . . . 0.0 109.531 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 38.5 t -80.6 105.71 12.06 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.1 -1.0 . . . . 0.0 109.665 -179.71 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -61.84 -30.48 70.87 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.307 -0.871 . . . . 0.0 110.37 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -69.84 -39.76 76.25 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.105 -0.997 . . . . 0.0 110.915 -178.411 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 98.5 m -85.66 -35.15 21.09 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 120.658 -1.276 . . . . 0.0 110.389 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.569 ' NE2' ' O ' ' A' ' 38' ' ' ALA . 6.2 tt0 -69.93 -48.37 58.76 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.065 -1.022 . . . . 0.0 110.955 -178.703 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.9 mt -80.85 17.85 1.11 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.178 -0.951 . . . . 0.0 109.636 -178.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -84.2 128.82 34.81 Favored 'General case' 0 C--N 1.296 -1.723 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 179.332 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 149.08 -164.6 29.26 Favored Glycine 0 N--CA 1.491 2.323 0 N-CA-C 108.87 -1.692 . . . . 0.0 108.87 -179.459 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -88.24 122.59 31.95 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.172 -1.193 . . . . 0.0 109.885 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -97.92 152.45 19.22 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.268 -0.895 . . . . 0.0 109.058 179.494 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 1.8 tmt? -50.8 124.25 10.7 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 120.93 -1.107 . . . . 0.0 108.766 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 -151.59 -179.51 7.47 Favored 'General case' 0 C--N 1.299 -1.624 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 -179.142 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 119.62 119.16 2.76 Favored Glycine 0 N--CA 1.5 2.954 0 N-CA-C 109.722 -1.351 . . . . 0.0 109.722 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -93.14 123.84 36.7 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.422 -1.046 . . . . 0.0 108.674 179.448 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 1.4 t 48.37 -142.27 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 120.998 -1.064 . . . . 0.0 108.766 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 50.8 p-10 . . . . . 0 N--CA 1.492 1.654 0 CA-C-O 117.978 -1.01 . . . . 0.0 109.586 179.823 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 . . . . . 0 N--CA 1.488 1.437 0 CA-C-O 121.306 0.574 . . . . 0.0 109.977 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 53.3 mt -71.92 -31.18 66.1 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.303 -0.873 . . . . 0.0 112.141 -178.199 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 54.2 t0 -61.74 -51.25 69.11 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 120.541 -1.35 . . . . 0.0 110.923 -178.07 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.52 -42.37 73.14 Favored Glycine 0 N--CA 1.491 2.313 0 N-CA-C 109.664 -1.375 . . . . 0.0 109.664 -179.588 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 91.4 mt -59.34 -40.62 81.94 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.613 0 O-C-N 121.272 -1.134 . . . . 0.0 110.28 -179.632 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -55.73 -47.58 76.68 Favored 'General case' 0 C--N 1.303 -1.42 0 C-N-CA 119.101 -1.04 . . . . 0.0 108.474 -179.488 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 17.7 ttmm -68.34 -44.47 75.23 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.407 -0.808 . . . . 0.0 109.392 179.241 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.67 -35.98 82.78 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.384 -0.823 . . . . 0.0 109.087 179.516 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -58.06 -40.6 81.4 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.301 -0.874 . . . . 0.0 109.157 -179.537 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -60.41 -39.87 88.93 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.037 -1.04 . . . . 0.0 108.548 179.192 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 14.2 tm-20 -60.9 -40.74 94.24 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 119.53 -0.868 . . . . 0.0 108.86 179.209 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' HIS . . . . . 0.531 ' O ' ' N ' ' B' ' 16' ' ' HIS . 17.5 t60 -62.23 -44.82 95.71 Favored 'General case' 0 C--N 1.301 -1.503 0 C-N-CA 119.277 -0.969 . . . . 0.0 109.94 179.602 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 46.1 tp10 -60.69 -45.01 95.82 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.09 -1.006 . . . . 0.0 110.221 -179.391 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 52.5 mtmt -61.02 -32.54 72.14 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.295 -0.878 . . . . 0.0 112.886 -178.226 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 49.7 m-85 -137.26 -6.28 1.81 Allowed 'General case' 0 N--CA 1.509 2.505 0 O-C-N 120.667 -1.27 . . . . 0.0 112.903 -176.556 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.531 ' N ' ' O ' ' B' ' 12' ' ' HIS . 91.4 m-70 54.27 46.41 25.25 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 120.586 -1.321 . . . . 0.0 107.446 -177.587 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 88.6 p -68.61 159.43 32.01 Favored 'General case' 0 C--N 1.302 -1.467 0 CA-C-O 121.487 0.66 . . . . 0.0 110.608 -178.464 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 73.0 m-20 -74.52 157.32 35.71 Favored 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 179.199 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 49.7 p-90 -58.89 -31.41 68.58 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 120.98 -1.075 . . . . 0.0 109.841 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 83.0 mtm180 -61.31 -40.53 94.54 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.866 -1.146 . . . . 0.0 108.768 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.95 -48.9 62.06 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.345 -0.847 . . . . 0.0 109.128 179.246 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 76.2 mtm -62.08 -41.81 98.56 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.095 -1.003 . . . . 0.0 109.699 179.55 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.524 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -59.71 -43.27 94.19 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.166 -0.959 . . . . 0.0 109.014 179.764 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 9.0 t -71.77 -34.93 69.86 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.528 -0.733 . . . . 0.0 110.079 179.67 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -61.49 -42.95 99.56 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.461 -0.774 . . . . 0.0 109.72 -179.277 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -108.45 -0.02 20.75 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.698 -0.626 . . . . 0.0 110.276 -179.542 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.524 ' N ' ' O ' ' B' ' 23' ' ' ALA . 77.5 m-20 54.2 47.46 23.09 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.388 -0.82 . . . . 0.0 109.642 179.582 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 82.1 mt -111.38 149.41 40.58 Favored Pre-proline 0 N--CA 1.499 1.982 0 O-C-N 121.28 -0.887 . . . . 0.0 109.624 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_exo -44.1 144.14 2.91 Favored 'Trans proline' 0 N--CA 1.488 1.15 0 C-N-CA 121.654 1.569 . . . . 0.0 111.386 178.516 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -45.7 -39.28 18.07 Favored 'Trans proline' 0 C--N 1.312 -1.389 0 C-N-CA 121.435 1.423 . . . . 0.0 111.062 178.79 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 69.0 t -51.84 -49.37 36.89 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.58 0 O-C-N 121.822 -0.549 . . . . 0.0 110.635 -178.553 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 58.8 t -64.72 -47.88 86.88 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.935 0 C-N-CA 118.315 -1.354 . . . . 0.0 109.22 -178.612 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.03 -46.38 78.07 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.084 -1.01 . . . . 0.0 109.594 179.139 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -60.24 -36.4 77.66 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.151 -0.968 . . . . 0.0 110.546 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 13.5 tm-20 -63.13 -37.86 88.89 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 120.915 -1.116 . . . . 0.0 109.922 -179.038 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 87.7 mt -59.58 -40.19 81.4 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.399 0 O-C-N 120.947 -1.096 . . . . 0.0 109.029 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 78.1 t -63.56 -39.27 84.73 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 178.587 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 38' ' ' ALA . . . . . 0.555 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -59.83 -30.1 68.72 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.415 -0.803 . . . . 0.0 108.928 179.07 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 35.4 m -77.67 -28.98 51.32 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.06 -1.025 . . . . 0.0 109.681 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 40.3 t -81.34 105.22 12.35 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.261 -0.9 . . . . 0.0 109.554 -179.523 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -61.36 -30.82 70.76 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.612 -0.68 . . . . 0.0 110.305 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -69.5 -39.75 77.41 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 120.977 -1.077 . . . . 0.0 111.199 -178.339 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 91.4 m -85.81 -35.57 20.59 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 120.813 -1.18 . . . . 0.0 110.136 -179.627 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 44' ' ' GLN . . . . . 0.555 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 6.2 tt0 -69.85 -47.92 60.86 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 120.643 -1.286 . . . . 0.0 111.167 -178.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 97.2 mt -80.96 17.73 1.15 Allowed 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.099 -1.001 . . . . 0.0 109.529 -179.172 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -84.08 129.54 34.9 Favored 'General case' 0 C--N 1.297 -1.686 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 179.566 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 148.53 -165.09 29.1 Favored Glycine 0 N--CA 1.489 2.194 0 N-CA-C 108.519 -1.832 . . . . 0.0 108.519 -179.267 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -87.96 122.42 31.54 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.418 -1.049 . . . . 0.0 109.753 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -97.42 152.82 18.57 Favored 'General case' 0 N--CA 1.496 1.829 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 179.487 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 1.8 tmt? -51.55 125.61 15.12 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.004 -1.06 . . . . 0.0 108.401 179.54 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 -152.58 -178.97 7.19 Favored 'General case' 0 C--N 1.3 -1.581 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 -179.115 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 119.65 121.76 2.97 Favored Glycine 0 N--CA 1.499 2.882 0 N-CA-C 109.536 -1.426 . . . . 0.0 109.536 179.562 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -95.31 122.86 38.46 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.559 -0.965 . . . . 0.0 108.56 179.612 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 1.5 t 48.55 -141.61 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.028 -1.045 . . . . 0.0 108.753 -179.55 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 52.7 p-10 . . . . . 0 N--CA 1.495 1.777 0 CA-C-O 117.868 -1.063 . . . . 0.0 109.514 179.841 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 . . . . . 0 N--CA 1.491 1.583 0 CA-C-O 121.442 0.639 . . . . 0.0 110.245 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 25.0 mt -70.1 -29.97 67.07 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.503 -0.748 . . . . 0.0 111.681 -177.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -62.57 -52.39 63.6 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.431 -1.418 . . . . 0.0 111.45 -178.039 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.89 -43.77 57.48 Favored Glycine 0 N--CA 1.489 2.201 0 N-CA-C 110.077 -1.209 . . . . 0.0 110.077 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.439 ' O ' ' N ' ' A' ' 9' ' ' GLN . 96.0 mt -58.7 -40.22 78.82 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.549 0 O-C-N 121.053 -1.263 . . . . 0.0 109.942 -179.523 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 57.0 t0 -56.23 -44.44 79.59 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 120.837 -1.165 . . . . 0.0 108.925 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.2 ttmp? -68.48 -46.24 70.25 Favored 'General case' 0 N--CA 1.494 1.759 0 C-N-CA 119.34 -0.944 . . . . 0.0 109.044 178.702 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.29 -34.91 78.71 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.496 -0.753 . . . . 0.0 109.453 179.527 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.439 ' N ' ' O ' ' A' ' 5' ' ' ILE . 53.0 tt0 -58.64 -39.88 81.83 Favored 'General case' 0 C--N 1.305 -1.347 0 O-C-N 121.313 -0.867 . . . . 0.0 109.35 -179.102 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -60.73 -39.78 89.92 Favored 'General case' 0 C--N 1.305 -1.349 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 178.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.8 tm-20 -60.5 -40.72 92.39 Favored 'General case' 0 N--CA 1.492 1.644 0 N-CA-C 108.223 -1.029 . . . . 0.0 108.223 179.132 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.551 ' O ' ' N ' ' A' ' 16' ' ' HIS . 16.3 t60 -62.55 -47.26 84.66 Favored 'General case' 0 C--N 1.306 -1.311 0 C-N-CA 119.261 -0.976 . . . . 0.0 109.752 179.643 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 76.0 tt0 -59.53 -45.58 91.34 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.053 -1.029 . . . . 0.0 110.244 -178.258 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 52.4 mtpt -60.69 -30.8 70.15 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.207 -0.933 . . . . 0.0 113.403 -178.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -138.85 -5.79 1.49 Allowed 'General case' 0 N--CA 1.507 2.397 0 O-C-N 120.515 -1.365 . . . . 0.0 112.519 -176.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.551 ' N ' ' O ' ' A' ' 12' ' ' HIS . 93.0 m-70 54.89 42.35 31.17 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 -177.653 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 96.3 p -61.05 156.45 17.9 Favored 'General case' 0 C--N 1.302 -1.481 0 C-N-CA 120.105 -0.638 . . . . 0.0 109.983 -179.06 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 33.5 m120 -73.06 155.08 40.13 Favored 'General case' 0 C--N 1.305 -1.344 0 O-C-N 121.264 -0.897 . . . . 0.0 109.425 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 34.0 p-90 -55.96 -29.42 60.18 Favored 'General case' 0 C--N 1.298 -1.655 0 C-N-CA 119.126 -1.03 . . . . 0.0 109.357 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 84.6 mtm180 -63.89 -40.78 97.33 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 120.86 -1.15 . . . . 0.0 110.209 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.02 -47.36 68.65 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.217 -0.927 . . . . 0.0 109.976 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 77.9 mtm -60.68 -38.36 84.68 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.065 -1.022 . . . . 0.0 109.615 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.505 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -56.67 -49.31 75.46 Favored 'General case' 0 C--N 1.301 -1.529 0 C-N-CA 118.993 -1.083 . . . . 0.0 108.532 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 21.5 t -69.85 -35.2 74.53 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.43 -0.794 . . . . 0.0 110.37 -179.642 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 58.4 t0 -59.07 -46.57 87.94 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.226 -0.921 . . . . 0.0 110.202 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -108.41 3.31 23.14 Favored 'General case' 0 N--CA 1.502 2.126 0 O-C-N 121.261 -0.899 . . . . 0.0 110.43 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.505 ' N ' ' O ' ' A' ' 23' ' ' ALA . 81.9 m-20 55.94 44.89 24.95 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.17 -0.956 . . . . 0.0 109.695 179.418 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 60.7 mt -108.54 152.28 42.03 Favored Pre-proline 0 N--CA 1.501 2.112 0 N-CA-C 107.683 -1.229 . . . . 0.0 107.683 179.437 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_endo -63.52 151.42 85.08 Favored 'Trans proline' 0 N--CA 1.49 1.313 0 C-N-CA 121.391 1.394 . . . . 0.0 111.26 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_exo -43.26 -38.78 8.24 Favored 'Trans proline' 0 N--CA 1.491 1.372 0 C-N-CA 122.463 2.109 . . . . 0.0 111.914 179.431 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 25.6 t -51.71 -51.5 26.75 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.63 0 O-C-N 121.417 -0.802 . . . . 0.0 110.471 -178.681 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.43 HG13 HD11 ' A' ' 5' ' ' ILE . 91.8 t -65.89 -46.85 87.38 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.753 0 C-N-CA 118.702 -1.199 . . . . 0.0 109.647 -178.523 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.72 -44.34 81.85 Favored 'General case' 0 C--N 1.299 -1.618 0 C-N-CA 119.584 -0.846 . . . . 0.0 109.983 -179.539 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.516 ' NZ ' ' OE2' ' B' ' 35' ' ' GLU . 10.2 mtpm? -61.21 -37.37 82.74 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.201 -0.937 . . . . 0.0 110.307 -179.775 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.42 ' OE2' ' NZ ' ' B' ' 34' ' ' LYS . 14.2 tm-20 -61.04 -36.91 80.82 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.883 -1.135 . . . . 0.0 109.77 -178.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 84.2 mt -59.72 -39.63 80.22 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.405 0 O-C-N 120.855 -1.153 . . . . 0.0 108.38 179.285 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 81.3 t -63.45 -39.37 85.07 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 O-C-N 121.303 -0.873 . . . . 0.0 109.097 179.362 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.59 ' O ' ' NE2' ' A' ' 44' ' ' GLN . . . -59.83 -33.94 72.43 Favored 'General case' 0 C--N 1.3 -1.568 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 179.532 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 34.8 m -74.53 -29.92 61.57 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.16 -0.962 . . . . 0.0 109.727 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 50.7 t -82.16 103.17 11.57 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.16 -0.963 . . . . 0.0 109.173 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -60.15 -30.01 69.03 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 120.967 -1.083 . . . . 0.0 110.373 -179.692 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -69.2 -38.73 78.78 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 120.888 -1.133 . . . . 0.0 110.922 -178.529 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 94.2 m -90.55 -14.96 31.52 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.216 -0.928 . . . . 0.0 109.65 179.533 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.59 ' NE2' ' O ' ' A' ' 38' ' ' ALA . 21.0 tt0 -70.3 -65.56 0.71 Allowed 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.184 -0.947 . . . . 0.0 109.562 -178.801 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 48.8 mt -80.01 107.56 12.9 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 120.753 -1.217 . . . . 0.0 108.552 179.296 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 37.3 tttp -94.57 131.54 40.21 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.061 -1.025 . . . . 0.0 110.737 -178.645 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 64.01 -155.59 45.43 Favored Glycine 0 N--CA 1.492 2.411 0 N-CA-C 110.146 -1.182 . . . . 0.0 110.146 178.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -75.41 148.0 39.51 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.444 -1.033 . . . . 0.0 109.967 -179.566 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -99.27 -139.74 0.32 Allowed 'General case' 0 N--CA 1.502 2.172 0 O-C-N 121.144 -0.972 . . . . 0.0 109.876 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 26.2 ttt -60.0 149.75 31.13 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.15 -0.969 . . . . 0.0 111.059 -178.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.536 ' CG ' ' O ' ' B' ' 52' ' ' GLY . 19.6 t-80 50.13 -142.57 0.63 Allowed 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.539 -0.726 . . . . 0.0 110.183 179.278 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.506 ' O ' ' CG ' ' B' ' 51' ' ' HIS . . . -179.15 -155.13 14.11 Favored Glycine 0 N--CA 1.491 2.344 0 N-CA-C 109.026 -1.63 . . . . 0.0 109.026 -179.02 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.402 ' O ' ' O ' ' A' ' 54' ' ' VAL . 89.8 mt-30 -89.36 107.67 19.2 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.981 -1.305 . . . . 0.0 109.516 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.55 HG12 ' N ' ' A' ' 55' ' ' ASP . 45.5 t 55.88 166.1 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 O-C-N 121.681 -0.637 . . . . 0.0 109.645 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.55 ' N ' HG12 ' A' ' 54' ' ' VAL . 63.4 t0 . . . . . 0 N--CA 1.491 1.595 0 CA-C-O 118.002 -0.999 . . . . 0.0 109.488 -179.608 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 . . . . . 0 N--CA 1.495 1.791 0 CA-C-O 121.476 0.655 . . . . 0.0 110.082 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 26.6 mt -70.33 -29.85 66.66 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.204 -0.935 . . . . 0.0 111.192 -178.095 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -62.37 -54.57 38.49 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 120.549 -1.345 . . . . 0.0 111.334 -178.173 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.7 -44.26 71.49 Favored Glycine 0 N--CA 1.493 2.485 0 N-CA-C 109.816 -1.313 . . . . 0.0 109.816 -179.528 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.443 ' O ' ' N ' ' B' ' 9' ' ' GLN . 96.8 mt -58.78 -40.03 78.61 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.384 0 O-C-N 121.382 -1.07 . . . . 0.0 110.274 -179.264 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 57.1 t0 -57.35 -43.73 83.73 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 120.722 -1.236 . . . . 0.0 108.112 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 4.4 ttmp? -68.15 -47.59 67.66 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 118.947 -1.101 . . . . 0.0 109.238 178.563 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.43 -35.27 79.89 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.482 -0.761 . . . . 0.0 109.476 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' B' ' 5' ' ' ILE . 55.7 tt0 -56.98 -39.68 75.09 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.276 -0.89 . . . . 0.0 109.335 -179.327 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -60.58 -40.64 92.44 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 178.798 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 14.0 tm-20 -59.27 -41.56 89.15 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.182 -0.949 . . . . 0.0 108.756 179.255 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 12' ' ' HIS . . . . . 0.582 ' O ' ' N ' ' B' ' 16' ' ' HIS . 17.5 t60 -61.56 -47.1 87.05 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.118 -0.989 . . . . 0.0 109.962 179.737 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -59.75 -45.01 93.54 Favored 'General case' 0 C--N 1.293 -1.852 0 O-C-N 121.091 -1.005 . . . . 0.0 110.627 -178.517 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 52.4 mtpt -60.96 -33.26 72.92 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.484 -0.76 . . . . 0.0 112.988 -178.49 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -136.37 -5.32 2.05 Favored 'General case' 0 N--CA 1.506 2.354 0 O-C-N 120.781 -1.199 . . . . 0.0 112.416 -176.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.582 ' N ' ' O ' ' B' ' 12' ' ' HIS . 93.1 m-70 54.88 40.71 32.11 Favored 'General case' 0 N--CA 1.499 2.001 0 N-CA-C 107.33 -1.359 . . . . 0.0 107.33 -177.493 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 90.9 p -59.52 154.04 18.24 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.638 -0.664 . . . . 0.0 110.216 -179.026 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 35.6 m120 -71.53 155.96 39.97 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.488 -0.757 . . . . 0.0 108.983 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 40.1 p-90 -57.25 -29.08 63.51 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.795 -1.191 . . . . 0.0 109.729 -179.642 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 83.6 mtm180 -63.04 -39.96 96.29 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.03 -1.044 . . . . 0.0 110.322 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.93 -47.34 62.79 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.403 -0.811 . . . . 0.0 110.136 -179.621 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 78.0 mtm -60.53 -38.38 84.26 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.24 -0.912 . . . . 0.0 108.953 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.496 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -56.76 -49.74 74.36 Favored 'General case' 0 N--CA 1.49 1.56 0 C-N-CA 119.597 -0.841 . . . . 0.0 109.454 179.444 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 16.8 t -70.03 -33.73 72.36 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.147 -0.97 . . . . 0.0 110.038 179.583 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -59.62 -46.25 89.52 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.985 -1.072 . . . . 0.0 109.922 -179.089 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -109.43 3.37 21.34 Favored 'General case' 0 N--CA 1.503 2.211 0 O-C-N 121.459 -0.776 . . . . 0.0 110.547 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.496 ' N ' ' O ' ' B' ' 23' ' ' ALA . 79.8 m-20 55.42 48.04 19.86 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.013 -1.054 . . . . 0.0 109.687 179.553 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 62.5 mt -111.56 151.4 43.29 Favored Pre-proline 0 N--CA 1.503 2.186 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 179.458 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_endo -62.0 151.11 83.48 Favored 'Trans proline' 0 C--N 1.314 -1.289 0 C-N-CA 121.008 1.138 . . . . 0.0 111.619 -179.561 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_exo -43.3 -39.09 8.61 Favored 'Trans proline' 0 N--CA 1.493 1.467 0 C-N-CA 122.588 2.192 . . . . 0.0 111.35 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 23.8 t -51.01 -53.8 12.91 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.736 0 O-C-N 121.625 -0.672 . . . . 0.0 110.301 -178.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 32' ' ' VAL . . . . . 0.407 HG13 HD11 ' B' ' 5' ' ' ILE . 94.1 t -63.79 -46.9 93.17 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.85 0 C-N-CA 118.588 -1.245 . . . . 0.0 110.134 -178.564 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.16 -42.99 83.39 Favored 'General case' 0 C--N 1.299 -1.624 0 C-N-CA 119.494 -0.883 . . . . 0.0 109.873 -179.594 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.42 ' NZ ' ' OE2' ' A' ' 35' ' ' GLU . 10.2 mtpm? -62.7 -35.49 79.88 Favored 'General case' 0 N--CA 1.486 1.363 0 O-C-N 120.851 -1.155 . . . . 0.0 110.325 -179.437 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 35' ' ' GLU . . . . . 0.516 ' OE2' ' NZ ' ' A' ' 34' ' ' LYS . 15.1 tm-20 -62.39 -36.46 82.38 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 120.834 -1.166 . . . . 0.0 109.757 -179.239 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 82.9 mt -60.49 -39.91 82.68 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.465 0 C-N-CA 119.169 -1.012 . . . . 0.0 108.28 179.724 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 76.7 t -63.24 -39.36 84.96 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.584 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 178.773 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 38' ' ' ALA . . . . . 0.546 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -60.27 -33.05 71.77 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.543 -0.723 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 36.1 m -76.68 -27.72 55.67 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.261 -0.9 . . . . 0.0 109.801 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 51.6 t -82.54 104.76 13.05 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.053 -1.03 . . . . 0.0 109.2 179.427 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -61.48 -29.32 69.9 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.337 -0.852 . . . . 0.0 110.491 -179.637 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -70.27 -39.27 75.05 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.109 -0.995 . . . . 0.0 110.524 -178.71 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 84.0 m -89.71 -16.25 30.79 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.264 -0.898 . . . . 0.0 109.696 179.742 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 44' ' ' GLN . . . . . 0.546 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 22.6 tt0 -68.76 -65.06 0.75 Allowed 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.141 -0.975 . . . . 0.0 110.205 -179.405 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 45.8 mt -80.89 109.8 15.81 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 120.585 -1.322 . . . . 0.0 108.412 179.337 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 38.4 tttp -97.76 130.7 44.7 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.359 -0.838 . . . . 0.0 110.453 -178.476 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 66.77 -157.27 50.89 Favored Glycine 0 N--CA 1.492 2.41 0 N-CA-C 109.957 -1.257 . . . . 0.0 109.957 179.43 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -75.9 146.95 39.36 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.405 -1.056 . . . . 0.0 109.66 179.733 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -97.01 -139.53 0.28 Allowed 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.136 -0.977 . . . . 0.0 110.168 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 23.6 ttt -59.66 149.36 30.75 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.456 -0.777 . . . . 0.0 110.265 -179.357 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 51' ' ' HIS . . . . . 0.506 ' CG ' ' O ' ' A' ' 52' ' ' GLY . 17.9 t-80 50.42 -142.33 0.67 Allowed 'General case' 0 N--CA 1.488 1.464 0 CA-C-O 121.464 0.649 . . . . 0.0 110.691 179.052 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 52' ' ' GLY . . . . . 0.536 ' O ' ' CG ' ' A' ' 51' ' ' HIS . . . -179.59 -154.47 13.32 Favored Glycine 0 N--CA 1.484 1.86 0 N-CA-C 109.052 -1.619 . . . . 0.0 109.052 -178.679 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -90.0 106.18 18.3 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.427 -1.043 . . . . 0.0 109.333 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.517 HG12 ' N ' ' B' ' 55' ' ' ASP . 41.4 t 56.29 165.62 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.843 0 O-C-N 121.379 -0.826 . . . . 0.0 110.009 179.505 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.517 ' N ' HG12 ' B' ' 54' ' ' VAL . 58.9 t0 . . . . . 0 N--CA 1.495 1.779 0 CA-C-O 117.77 -1.11 . . . . 0.0 109.681 -179.645 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.517 ' O ' HD12 ' A' ' 5' ' ' ILE . 76.2 m-85 . . . . . 0 N--CA 1.49 1.55 0 CA-C-O 121.123 0.487 . . . . 0.0 109.905 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 37.0 mt -72.12 -34.89 68.92 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.313 -0.867 . . . . 0.0 111.854 -178.245 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -62.22 -47.85 82.61 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.728 -1.232 . . . . 0.0 110.85 -178.244 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.06 -43.24 49.16 Favored Glycine 0 N--CA 1.494 2.546 0 N-CA-C 109.168 -1.573 . . . . 0.0 109.168 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.517 HD12 ' O ' ' A' ' 1' ' ' PHE . 80.1 mt -59.49 -39.43 79.22 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.486 0 O-C-N 121.235 -1.156 . . . . 0.0 109.697 179.711 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 51.7 t0 -55.45 -49.31 72.79 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 120.746 -1.221 . . . . 0.0 109.055 -179.604 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 58.1 mttm -68.96 -40.04 79.14 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 120.899 -1.126 . . . . 0.0 109.504 179.183 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.46 -35.58 77.77 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.274 -0.891 . . . . 0.0 109.747 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.458 ' N ' ' O ' ' A' ' 5' ' ' ILE . 53.4 tt0 -59.49 -40.06 85.78 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 108.585 -0.895 . . . . 0.0 108.585 -179.631 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 74.5 tt0 -61.08 -41.95 97.59 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.019 -1.051 . . . . 0.0 108.64 178.799 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.6 tm-20 -60.73 -40.25 91.67 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.544 -0.722 . . . . 0.0 109.085 179.49 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.545 ' O ' ' N ' ' A' ' 16' ' ' HIS . 14.7 t60 -60.79 -46.12 91.73 Favored 'General case' 0 C--N 1.304 -1.398 0 C-N-CA 119.575 -0.85 . . . . 0.0 109.688 179.611 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -60.24 -44.35 95.32 Favored 'General case' 0 C--N 1.297 -1.704 0 O-C-N 121.39 -0.819 . . . . 0.0 109.985 -179.619 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 50.5 mtmt -61.88 -31.44 71.72 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.467 -0.77 . . . . 0.0 112.963 -178.287 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 65.1 m-85 -138.18 -7.42 1.57 Allowed 'General case' 0 N--CA 1.506 2.349 0 O-C-N 120.755 -1.216 . . . . 0.0 112.541 -176.622 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.545 ' N ' ' O ' ' A' ' 12' ' ' HIS . 87.5 m-70 54.62 40.67 32.02 Favored 'General case' 0 N--CA 1.497 1.888 0 N-CA-C 107.235 -1.395 . . . . 0.0 107.235 -177.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 89.7 p -64.05 156.85 26.88 Favored 'General case' 0 N--CA 1.488 1.427 0 CA-C-O 121.45 0.643 . . . . 0.0 111.033 -178.118 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -71.05 157.92 37.38 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.473 -0.767 . . . . 0.0 109.099 179.289 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 54.0 p-90 -57.1 -29.66 63.69 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.245 -0.91 . . . . 0.0 110.318 -179.57 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 75.6 mtm180 -63.15 -40.51 97.78 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.86 -1.15 . . . . 0.0 109.885 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.34 -49.04 65.72 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.198 -0.939 . . . . 0.0 109.441 -179.427 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 79.4 mtm -61.19 -40.47 94.05 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.145 -0.972 . . . . 0.0 109.41 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.475 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -57.66 -45.99 84.8 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 119.394 -0.923 . . . . 0.0 109.26 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 20.4 m -69.94 -38.52 76.19 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.388 -0.82 . . . . 0.0 110.428 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -60.18 -40.38 89.78 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.097 -1.002 . . . . 0.0 110.607 -178.563 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -111.36 3.15 18.02 Favored 'General case' 0 N--CA 1.503 2.212 0 O-C-N 121.206 -0.934 . . . . 0.0 110.023 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.475 ' N ' ' O ' ' A' ' 23' ' ' ALA . 82.2 m-20 55.79 42.6 28.91 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.362 -0.836 . . . . 0.0 110.279 179.699 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 69.8 mt -106.74 149.9 39.02 Favored Pre-proline 0 N--CA 1.498 1.974 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 179.257 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_endo -60.83 153.68 61.21 Favored 'Trans proline' 0 N--CA 1.493 1.482 0 C-N-CA 121.842 1.694 . . . . 0.0 112.082 -179.285 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_exo -43.11 -41.46 9.46 Favored 'Trans proline' 0 C--N 1.312 -1.382 0 C-N-CA 122.489 2.126 . . . . 0.0 112.767 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.8 t -52.6 -50.11 42.01 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.809 0 O-C-N 121.191 -0.943 . . . . 0.0 110.385 -177.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 57.9 t -65.77 -48.29 82.77 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.932 0 C-N-CA 118.716 -1.194 . . . . 0.0 109.184 -178.571 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.59 -46.76 78.15 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.282 -0.886 . . . . 0.0 109.929 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 88.2 mttt -61.52 -36.12 79.66 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 120.976 -1.078 . . . . 0.0 110.505 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.4 tm-20 -60.72 -39.92 90.4 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 120.857 -1.152 . . . . 0.0 109.979 -179.25 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 73.0 mt -59.63 -40.14 81.41 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 O-C-N 121.141 -0.975 . . . . 0.0 108.829 179.725 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 89.7 t -63.09 -40.03 87.5 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.4 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 179.394 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.15 -30.77 70.59 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.48 -0.762 . . . . 0.0 109.626 179.607 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.4 m -77.57 -27.08 51.34 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.037 -1.039 . . . . 0.0 109.206 -179.699 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 42.6 t -80.92 104.17 11.24 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.162 -0.961 . . . . 0.0 109.761 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -60.02 -30.88 69.45 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.576 -0.702 . . . . 0.0 110.048 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 42.6 mtpt -71.19 -40.19 71.37 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.05 -1.031 . . . . 0.0 111.081 -178.759 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.412 ' O ' ' NZ ' ' A' ' 46' ' ' LYS . 69.4 m -84.75 -19.16 33.08 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 120.687 -1.258 . . . . 0.0 110.161 -179.473 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -75.86 -74.78 0.2 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.093 -1.004 . . . . 0.0 109.341 -179.725 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 30.7 mt -80.89 99.47 8.36 Favored 'General case' 0 N--CA 1.493 1.704 0 N-CA-C 107.972 -1.122 . . . . 0.0 107.972 179.23 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.412 ' NZ ' ' O ' ' A' ' 43' ' ' CYS . 58.8 mttp -91.9 -8.13 47.26 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.18 -0.95 . . . . 0.0 110.627 -178.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 152.27 -150.43 22.27 Favored Glycine 0 N--CA 1.496 2.688 0 N-CA-C 109.124 -1.59 . . . . 0.0 109.124 -179.628 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 55.96 32.79 20.5 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.327 -1.102 . . . . 0.0 108.671 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.519 ' O ' ' O ' ' B' ' 49' ' ' ALA . . . -84.32 30.08 0.55 Allowed 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.651 -0.656 . . . . 0.0 109.25 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 58.8 mtt 47.84 25.25 0.7 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.092 -1.005 . . . . 0.0 109.614 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 44.1 t-80 -101.61 128.19 47.99 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.287 -0.883 . . . . 0.0 109.54 -179.601 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -164.34 -169.59 28.1 Favored Glycine 0 N--CA 1.493 2.443 0 N-CA-C 109.49 -1.444 . . . . 0.0 109.49 -179.7 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.508 ' O ' HG12 ' A' ' 54' ' ' VAL . 61.1 tt0 -86.52 136.53 33.04 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.146 -1.208 . . . . 0.0 108.987 179.589 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.864 HG22 ' H ' ' A' ' 55' ' ' ASP . 12.7 p 46.15 -177.0 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.749 0 CA-C-O 121.457 0.646 . . . . 0.0 109.729 -179.518 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.864 ' H ' HG22 ' A' ' 54' ' ' VAL . 57.0 t0 . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 117.883 -1.056 . . . . 0.0 109.352 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 1' ' ' PHE . . . . . 0.512 ' O ' HD12 ' B' ' 5' ' ' ILE . 75.0 m-85 . . . . . 0 N--CA 1.487 1.423 0 CA-C-O 121.305 0.574 . . . . 0.0 109.94 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 33.9 mt -72.44 -33.37 67.02 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.299 -0.876 . . . . 0.0 111.783 -178.544 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -63.46 -48.0 79.49 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 120.713 -1.242 . . . . 0.0 110.494 -178.295 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.7 -43.34 51.9 Favored Glycine 0 N--CA 1.492 2.412 0 N-CA-C 109.307 -1.517 . . . . 0.0 109.307 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.512 HD12 ' O ' ' B' ' 1' ' ' PHE . 78.1 mt -59.6 -39.38 79.33 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.461 0 O-C-N 121.661 -0.905 . . . . 0.0 109.624 179.728 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -55.69 -48.25 75.43 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 120.854 -1.154 . . . . 0.0 109.063 -179.405 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 59.1 mttm -69.65 -40.91 76.22 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 120.944 -1.097 . . . . 0.0 109.51 179.248 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.18 -35.04 77.4 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.359 -0.838 . . . . 0.0 109.929 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 9' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' B' ' 5' ' ' ILE . 53.1 tt0 -59.48 -39.81 84.93 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.021 -1.049 . . . . 0.0 108.771 -179.844 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 74.6 tt0 -61.14 -41.98 97.72 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.267 -0.896 . . . . 0.0 108.616 178.687 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 12.5 tm-20 -60.51 -40.41 91.32 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.503 -0.748 . . . . 0.0 109.093 179.663 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 12' ' ' HIS . . . . . 0.526 ' O ' ' N ' ' B' ' 16' ' ' HIS . 15.6 t60 -60.73 -45.7 93.26 Favored 'General case' 0 C--N 1.305 -1.366 0 C-N-CA 119.516 -0.874 . . . . 0.0 109.834 179.482 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -60.44 -44.61 95.65 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.202 -0.936 . . . . 0.0 109.901 -179.625 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 50.7 mtmt -61.23 -32.45 72.24 Favored 'General case' 0 N--CA 1.495 1.786 0 N-CA-C 113.157 0.799 . . . . 0.0 113.157 -178.456 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 63.3 m-85 -137.12 -7.16 1.81 Allowed 'General case' 0 N--CA 1.507 2.417 0 O-C-N 120.741 -1.224 . . . . 0.0 112.466 -176.652 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.526 ' N ' ' O ' ' B' ' 12' ' ' HIS . 85.7 m-70 54.46 39.83 31.34 Favored 'General case' 0 N--CA 1.495 1.795 0 N-CA-C 107.087 -1.449 . . . . 0.0 107.087 -177.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 88.3 p -62.95 156.91 23.1 Favored 'General case' 0 N--CA 1.488 1.447 0 CA-C-O 121.523 0.678 . . . . 0.0 111.249 -178.342 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -70.84 158.25 36.71 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 179.281 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 54.7 p-90 -57.44 -30.19 64.81 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.197 -0.939 . . . . 0.0 110.171 -179.47 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 75.7 mtm180 -62.92 -40.26 97.07 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.821 -1.174 . . . . 0.0 109.94 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.01 -49.07 66.45 Favored 'General case' 0 C--N 1.299 -1.587 0 O-C-N 121.172 -0.955 . . . . 0.0 109.412 -179.426 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 79.0 mtm -61.54 -40.12 93.53 Favored 'General case' 0 C--N 1.298 -1.66 0 O-C-N 121.099 -1.001 . . . . 0.0 109.817 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.468 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -58.13 -45.29 87.6 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.203 -0.936 . . . . 0.0 109.512 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 25.3 m -70.01 -38.77 76.03 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.251 -0.906 . . . . 0.0 110.634 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -60.06 -40.57 89.95 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.312 -0.868 . . . . 0.0 110.533 -178.334 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -111.14 1.64 17.41 Favored 'General case' 0 N--CA 1.502 2.127 0 O-C-N 121.383 -0.823 . . . . 0.0 110.135 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.468 ' N ' ' O ' ' B' ' 23' ' ' ALA . 81.1 m-20 56.75 42.94 26.02 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.633 -0.667 . . . . 0.0 110.27 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 73.4 mt -106.52 149.52 38.44 Favored Pre-proline 0 N--CA 1.496 1.869 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 179.31 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_endo -61.23 154.05 60.74 Favored 'Trans proline' 0 N--CA 1.494 1.542 0 C-N-CA 121.829 1.686 . . . . 0.0 111.975 -179.087 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -43.33 -40.7 9.87 Favored 'Trans proline' 0 C--N 1.314 -1.274 0 C-N-CA 122.515 2.144 . . . . 0.0 112.625 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 57.3 t -53.67 -50.25 51.89 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.749 0 C-N-CA 119.511 -0.876 . . . . 0.0 110.523 -177.774 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 59.2 t -65.59 -47.44 86.34 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.945 0 C-N-CA 118.617 -1.233 . . . . 0.0 109.36 -178.712 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.83 -47.74 74.0 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.27 -0.894 . . . . 0.0 109.974 179.719 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -61.01 -35.48 76.97 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 121.202 -0.936 . . . . 0.0 110.526 -179.548 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.9 tm-20 -60.73 -39.86 90.23 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.858 -1.151 . . . . 0.0 109.996 -179.394 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 74.5 mt -60.3 -39.69 81.6 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.297 0 O-C-N 120.991 -1.068 . . . . 0.0 108.849 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 89.3 t -63.23 -40.15 87.95 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.514 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 179.43 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 38' ' ' ALA . . . . . 0.436 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -61.33 -30.76 70.71 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.612 -0.68 . . . . 0.0 109.731 179.348 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 15.3 m -77.42 -26.19 51.44 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.208 -0.933 . . . . 0.0 109.11 -179.607 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 43.6 t -81.77 104.46 12.17 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 119.942 -0.703 . . . . 0.0 109.776 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -60.37 -31.64 70.53 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.448 -0.782 . . . . 0.0 110.147 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 42.7 mtpt -70.26 -40.02 74.63 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.016 -1.053 . . . . 0.0 111.209 -178.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 67.5 m -85.2 -19.35 31.82 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 120.681 -1.262 . . . . 0.0 110.353 -179.262 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 44' ' ' GLN . . . . . 0.436 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 12.3 tt0 -75.99 -74.59 0.22 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.145 -0.972 . . . . 0.0 109.113 -179.821 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 26.1 mt -80.57 99.68 8.22 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.894 -1.129 . . . . 0.0 108.054 179.313 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 58.4 mttp -92.89 -7.03 47.32 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.32 -0.863 . . . . 0.0 110.351 -178.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 151.52 -151.1 23.09 Favored Glycine 0 N--CA 1.496 2.653 0 N-CA-C 109.368 -1.493 . . . . 0.0 109.368 -179.318 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 79.6 mt-10 55.42 33.86 21.77 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.289 -1.124 . . . . 0.0 108.595 -179.705 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 49' ' ' ALA . . . . . 0.519 ' O ' ' O ' ' A' ' 49' ' ' ALA . . . -85.55 30.12 0.65 Allowed 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.669 -0.645 . . . . 0.0 109.273 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 59.0 mtt 47.7 26.73 0.92 Allowed 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.061 -1.024 . . . . 0.0 109.833 179.805 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 45.0 t-80 -102.8 131.04 49.95 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.424 -0.798 . . . . 0.0 109.426 -179.675 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -166.93 -167.09 27.09 Favored Glycine 0 N--CA 1.489 2.198 0 N-CA-C 109.538 -1.425 . . . . 0.0 109.538 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 53' ' ' GLN . . . . . 0.493 ' O ' HG12 ' B' ' 54' ' ' VAL . 63.9 tt0 -88.92 137.04 32.68 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.329 -1.101 . . . . 0.0 108.726 179.704 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.89 HG22 ' H ' ' B' ' 55' ' ' ASP . 13.6 p 45.86 -176.16 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 CA-C-O 121.439 0.638 . . . . 0.0 109.714 -179.568 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.89 ' H ' HG22 ' B' ' 54' ' ' VAL . 56.4 t0 . . . . . 0 N--CA 1.493 1.72 0 O-C-N 120.898 -1.126 . . . . 0.0 109.51 -179.503 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.532 ' CE2' ' CE2' ' B' ' 1' ' ' PHE . 62.7 m-85 . . . . . 0 N--CA 1.493 1.677 0 CA-C-O 121.578 0.704 . . . . 0.0 109.631 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 43.2 mt -72.52 -41.4 65.92 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.496 -0.753 . . . . 0.0 110.865 -178.464 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 60.8 t0 -63.83 -53.55 48.9 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 120.897 -1.127 . . . . 0.0 110.895 -179.067 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.18 -45.05 96.74 Favored Glycine 0 N--CA 1.495 2.576 0 N-CA-C 110.396 -1.081 . . . . 0.0 110.396 -179.288 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.419 HD11 HG11 ' B' ' 31' ' ' VAL . 68.9 mt -59.57 -39.02 78.32 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.31 -1.112 . . . . 0.0 110.524 -179.607 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -55.46 -45.32 76.91 Favored 'General case' 0 C--N 1.302 -1.485 0 C-N-CA 118.876 -1.13 . . . . 0.0 109.422 -179.129 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -69.93 -43.43 71.67 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.149 -0.97 . . . . 0.0 109.112 179.452 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.32 -34.97 79.19 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 119.584 -0.847 . . . . 0.0 109.681 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -58.44 -41.4 85.0 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 120.98 -1.075 . . . . 0.0 109.628 -179.037 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -62.12 -41.21 98.01 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.838 -1.164 . . . . 0.0 108.693 179.027 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -60.0 -40.69 90.05 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 179.031 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.552 ' O ' ' N ' ' A' ' 16' ' ' HIS . 13.5 t60 -61.76 -47.5 84.9 Favored 'General case' 0 C--N 1.306 -1.304 0 CA-C-O 121.572 0.701 . . . . 0.0 110.117 179.648 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.2 tp10 -60.72 -41.56 95.55 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 120.922 -1.111 . . . . 0.0 109.861 -179.116 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -60.88 -31.92 71.38 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.498 -0.751 . . . . 0.0 112.367 -178.547 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -140.07 -4.93 1.31 Allowed 'General case' 0 N--CA 1.508 2.432 0 O-C-N 120.722 -1.236 . . . . 0.0 112.788 -177.089 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.552 ' N ' ' O ' ' A' ' 12' ' ' HIS . 90.0 m-70 54.04 42.33 31.66 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 120.191 -1.568 . . . . 0.0 107.309 -177.605 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 93.9 p -63.92 156.89 26.33 Favored 'General case' 0 C--N 1.303 -1.442 0 CA-C-O 121.553 0.692 . . . . 0.0 110.709 -178.494 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -73.05 156.22 38.98 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.371 -0.831 . . . . 0.0 109.288 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 36.1 p-90 -54.46 -30.56 53.28 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.093 -1.004 . . . . 0.0 110.242 -179.247 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 59.5 mtp180 -61.05 -40.25 92.92 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.902 -1.124 . . . . 0.0 109.529 -179.695 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.85 -50.02 53.45 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.406 -0.809 . . . . 0.0 109.695 -179.732 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 78.6 mtm -60.79 -39.72 89.96 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.216 -0.927 . . . . 0.0 109.662 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.523 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -60.4 -47.34 86.49 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.147 -0.97 . . . . 0.0 109.149 179.583 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 62.8 m -69.38 -36.0 76.37 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.363 -0.836 . . . . 0.0 110.14 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -61.38 -41.53 97.24 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.135 -0.978 . . . . 0.0 109.902 -179.41 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.47 ' O ' ' OD1' ' A' ' 27' ' ' ASN . 96.7 m-85 -110.25 5.67 21.94 Favored 'General case' 0 N--CA 1.502 2.169 0 O-C-N 121.432 -0.793 . . . . 0.0 110.044 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.562 ' ND2' ' O ' ' A' ' 27' ' ' ASN . 1.9 p-10 49.63 42.84 23.82 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.574 -0.704 . . . . 0.0 110.843 179.719 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.407 HD13 HG11 ' A' ' 32' ' ' VAL . 79.5 mt -106.83 146.38 32.99 Favored Pre-proline 0 N--CA 1.503 2.193 0 O-C-N 120.912 -1.117 . . . . 0.0 109.205 179.492 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_exo -47.42 144.98 9.17 Favored 'Trans proline' 0 N--CA 1.493 1.444 0 C-N-CA 121.416 1.411 . . . . 0.0 111.08 178.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_exo -43.45 -33.83 4.54 Favored 'Trans proline' 0 C--N 1.315 -1.209 0 C-N-CA 121.865 1.71 . . . . 0.0 111.575 179.53 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.551 HG11 HD11 ' B' ' 5' ' ' ILE . 53.1 t -51.2 -51.83 21.2 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.615 0 O-C-N 121.764 -0.585 . . . . 0.0 110.628 -178.279 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.407 HG11 HD13 ' A' ' 28' ' ' LEU . 93.1 t -64.5 -49.25 81.51 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.801 0 C-N-CA 118.939 -1.104 . . . . 0.0 109.315 -178.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.86 -45.8 87.81 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.571 -0.706 . . . . 0.0 109.717 179.718 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.3 mtpm? -61.24 -36.21 79.35 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.066 -1.021 . . . . 0.0 109.882 179.579 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -62.09 -38.61 89.51 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.111 -0.993 . . . . 0.0 110.392 -179.446 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 66.3 mt -60.44 -39.24 80.49 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 120.817 -1.177 . . . . 0.0 108.666 -179.649 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 71.7 t -61.74 -39.09 82.06 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.546 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 178.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.55 -33.42 72.64 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 179.087 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 21.8 m -76.03 -29.82 58.22 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.319 -0.863 . . . . 0.0 109.749 -179.652 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 43.1 t -82.33 101.66 10.72 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.339 -0.85 . . . . 0.0 109.548 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -60.93 -29.97 69.93 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.427 -0.796 . . . . 0.0 110.151 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -69.19 -41.15 77.54 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.075 -1.015 . . . . 0.0 110.348 -178.752 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 57.8 m -82.27 -30.0 30.91 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.937 -1.102 . . . . 0.0 109.574 179.569 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 39.4 tt0 -73.79 -70.07 0.4 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.092 -1.005 . . . . 0.0 108.917 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 62.3 mt -80.97 110.41 16.48 Favored 'General case' 0 N--CA 1.485 1.321 0 O-C-N 121.105 -0.997 . . . . 0.0 108.443 178.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 31.1 ttmt -89.95 -2.26 58.13 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.543 -0.723 . . . . 0.0 109.184 -179.556 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.452 ' C ' ' H ' ' A' ' 49' ' ' ALA . . . 88.4 -123.53 6.79 Favored Glycine 0 N--CA 1.497 2.728 0 N-CA-C 109.829 -1.308 . . . . 0.0 109.829 179.495 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 55.31 4.02 0.08 Allowed 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.39 -1.064 . . . . 0.0 110.558 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.452 ' H ' ' C ' ' A' ' 47' ' ' GLY . . . -85.4 124.52 32.1 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.031 -1.043 . . . . 0.0 109.263 179.811 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 22.2 ttt -173.51 139.12 0.72 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.511 -0.743 . . . . 0.0 109.138 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 54.8 t-80 -95.92 115.17 27.02 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.175 -0.953 . . . . 0.0 109.752 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -88.78 -164.66 40.54 Favored Glycine 0 N--CA 1.494 2.525 0 N-CA-C 109.342 -1.503 . . . . 0.0 109.342 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 27.2 mm100 56.54 39.97 29.67 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.382 -1.069 . . . . 0.0 110.195 179.686 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 31.1 m 41.84 -154.69 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.965 0 O-C-N 121.51 -0.744 . . . . 0.0 110.599 179.686 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 41.8 p-10 . . . . . 0 N--CA 1.496 1.837 0 CA-C-O 118.08 -0.962 . . . . 0.0 109.271 179.757 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 1' ' ' PHE . . . . . 0.532 ' CE2' ' CE2' ' A' ' 1' ' ' PHE . 65.2 m-85 . . . . . 0 N--CA 1.492 1.625 0 CA-C-O 121.572 0.701 . . . . 0.0 109.61 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 42.1 mt -73.41 -40.48 64.24 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.617 -0.677 . . . . 0.0 111.193 -178.149 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 62.6 t0 -64.35 -53.4 49.25 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.964 -1.085 . . . . 0.0 110.563 -179.071 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.28 -45.05 96.82 Favored Glycine 0 N--CA 1.493 2.436 0 N-CA-C 110.303 -1.119 . . . . 0.0 110.303 -179.219 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.551 HD11 HG11 ' A' ' 31' ' ' VAL . 72.8 mt -59.91 -38.3 75.79 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 121.297 -1.119 . . . . 0.0 110.402 -179.398 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -56.2 -44.95 79.97 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 120.743 -1.223 . . . . 0.0 109.332 -179.045 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -70.47 -42.96 70.73 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 120.956 -1.09 . . . . 0.0 109.253 179.415 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.8 -35.44 80.08 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.285 -0.884 . . . . 0.0 109.45 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -57.91 -41.13 81.98 Favored 'General case' 0 C--N 1.303 -1.45 0 C-N-CA 119.221 -0.992 . . . . 0.0 109.565 -179.193 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -62.87 -40.94 99.03 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.954 -1.091 . . . . 0.0 108.944 179.088 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -60.43 -39.98 89.44 Favored 'General case' 0 N--CA 1.49 1.553 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 178.811 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 12' ' ' HIS . . . . . 0.533 ' O ' ' N ' ' B' ' 16' ' ' HIS . 13.7 t60 -61.85 -48.07 82.21 Favored 'General case' 0 C--N 1.306 -1.285 0 O-C-N 121.451 -0.78 . . . . 0.0 110.113 179.633 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 35.0 tp10 -59.75 -41.73 91.62 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 120.973 -1.079 . . . . 0.0 110.209 -179.154 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 55.1 mtpt -60.8 -33.09 72.47 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.534 -0.729 . . . . 0.0 112.5 -178.432 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -138.9 -4.49 1.55 Allowed 'General case' 0 N--CA 1.508 2.44 0 O-C-N 120.708 -1.245 . . . . 0.0 112.63 -176.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.533 ' N ' ' O ' ' B' ' 12' ' ' HIS . 90.7 m-70 53.77 42.13 31.87 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.436 -1.415 . . . . 0.0 107.316 -177.298 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 91.8 p -63.25 156.45 25.46 Favored 'General case' 0 C--N 1.305 -1.356 0 CA-C-O 121.428 0.632 . . . . 0.0 110.56 -178.486 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -73.08 156.45 38.71 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.445 -0.784 . . . . 0.0 109.489 179.762 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 36.5 p-90 -54.33 -30.11 50.27 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.25 -0.906 . . . . 0.0 110.258 -179.407 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 59.4 mtp180 -61.3 -40.71 95.18 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.026 -1.046 . . . . 0.0 109.491 -179.65 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.71 -50.03 54.1 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.455 -0.778 . . . . 0.0 109.709 -179.464 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 78.8 mtm -60.81 -40.11 91.49 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.197 -0.939 . . . . 0.0 109.571 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.504 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -59.91 -47.09 87.18 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.062 -1.024 . . . . 0.0 109.117 179.749 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 54.9 m -70.16 -36.48 74.73 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.366 -0.834 . . . . 0.0 110.282 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -60.67 -40.39 91.95 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.253 -0.904 . . . . 0.0 109.905 -179.046 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 26' ' ' PHE . . . . . 0.461 ' O ' ' OD1' ' B' ' 27' ' ' ASN . 96.7 m-85 -111.42 5.96 19.98 Favored 'General case' 0 N--CA 1.502 2.136 0 O-C-N 121.48 -0.763 . . . . 0.0 110.109 179.789 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.589 ' O ' ' ND2' ' B' ' 27' ' ' ASN . 1.6 p-10 50.35 41.83 25.17 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.347 -0.846 . . . . 0.0 111.088 179.461 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 83.4 mt -106.47 147.79 35.58 Favored Pre-proline 0 N--CA 1.506 2.366 0 O-C-N 120.725 -1.234 . . . . 0.0 109.287 179.234 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -48.29 146.48 9.86 Favored 'Trans proline' 0 N--CA 1.491 1.341 0 C-N-CA 121.259 1.306 . . . . 0.0 111.184 178.749 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_exo -44.22 -34.24 6.76 Favored 'Trans proline' 0 C--N 1.31 -1.452 0 C-N-CA 121.884 1.722 . . . . 0.0 111.626 179.208 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.419 HG11 HD11 ' A' ' 5' ' ' ILE . 47.5 t -51.53 -51.36 25.96 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.624 -0.673 . . . . 0.0 110.701 -178.462 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 98.0 t -64.59 -49.09 82.07 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.736 0 C-N-CA 118.624 -1.23 . . . . 0.0 109.383 -179.057 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.37 -45.72 86.53 Favored 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 119.881 -0.728 . . . . 0.0 109.837 179.738 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 10.1 mtpm? -61.32 -36.69 80.83 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.862 -1.149 . . . . 0.0 109.708 179.802 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.3 tm-20 -61.12 -39.16 88.96 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.159 -0.963 . . . . 0.0 110.228 -179.617 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 67.3 mt -59.69 -40.47 82.4 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 120.912 -1.117 . . . . 0.0 108.718 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 69.0 t -60.45 -39.33 80.8 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.417 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 178.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 38' ' ' ALA . . . . . 0.538 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -61.26 -30.71 70.62 Favored 'General case' 0 N--CA 1.488 1.447 0 CA-C-O 121.705 0.764 . . . . 0.0 109.381 179.077 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 31.7 m -78.71 -29.67 45.54 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.212 -0.93 . . . . 0.0 109.594 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 41.0 t -83.03 101.65 11.25 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.24 -0.912 . . . . 0.0 109.249 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -60.77 -30.27 69.92 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.446 -0.784 . . . . 0.0 110.067 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 87.6 mttt -68.24 -41.41 81.23 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.084 -1.01 . . . . 0.0 110.234 -178.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 58.5 m -82.38 -29.72 30.71 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.939 -1.101 . . . . 0.0 109.63 179.531 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 44' ' ' GLN . . . . . 0.538 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 11.6 tt0 -73.86 -69.91 0.41 Allowed 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.191 -0.943 . . . . 0.0 108.817 -179.705 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 65.8 mt -81.52 110.05 16.55 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.094 -1.004 . . . . 0.0 108.651 179.091 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 30.1 ttmt -89.13 -3.64 58.57 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.459 -0.775 . . . . 0.0 109.234 -179.646 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 47' ' ' GLY . . . . . 0.471 ' C ' ' H ' ' B' ' 49' ' ' ALA . . . 88.86 -121.86 6.18 Favored Glycine 0 N--CA 1.497 2.745 0 N-CA-C 110.354 -1.099 . . . . 0.0 110.354 179.539 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 91.5 mt-10 54.19 3.93 0.05 Allowed 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.529 -0.983 . . . . 0.0 110.426 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 49' ' ' ALA . . . . . 0.471 ' H ' ' C ' ' B' ' 47' ' ' GLY . . . -84.42 124.66 31.57 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.047 -1.033 . . . . 0.0 109.453 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 22.8 ttt -173.62 138.73 0.68 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.339 -0.851 . . . . 0.0 109.224 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 56.4 t-80 -95.09 114.59 26.41 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.191 -0.943 . . . . 0.0 109.613 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -88.78 -163.79 39.72 Favored Glycine 0 N--CA 1.494 2.503 0 N-CA-C 109.35 -1.5 . . . . 0.0 109.35 179.768 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 27.2 mm100 55.4 40.07 31.29 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.518 -0.99 . . . . 0.0 110.258 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 32.6 m 41.71 -155.73 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.499 2.023 0 O-C-N 121.566 -0.709 . . . . 0.0 110.499 179.559 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 42.2 p-10 . . . . . 0 N--CA 1.494 1.76 0 CA-C-O 118.01 -0.995 . . . . 0.0 109.436 179.907 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 . . . . . 0 N--CA 1.49 1.559 0 CA-C-O 121.532 0.682 . . . . 0.0 109.407 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 23.1 mt -73.69 -40.07 63.9 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.349 -0.845 . . . . 0.0 111.369 -178.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -63.95 -46.16 85.93 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 120.857 -1.152 . . . . 0.0 110.949 -178.266 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.16 -47.57 52.21 Favored Glycine 0 N--CA 1.491 2.366 0 N-CA-C 109.478 -1.449 . . . . 0.0 109.478 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.601 HD11 HG11 ' B' ' 31' ' ' VAL . 91.2 mt -59.36 -39.21 78.45 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.34 -1.094 . . . . 0.0 110.223 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -53.15 -49.46 66.56 Favored 'General case' 0 N--CA 1.485 1.318 0 O-C-N 120.866 -1.146 . . . . 0.0 109.119 -178.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -69.13 -39.83 78.62 Favored 'General case' 0 N--CA 1.493 1.682 0 C-N-CA 118.975 -1.09 . . . . 0.0 109.175 178.799 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.29 -38.95 88.96 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.538 -0.726 . . . . 0.0 109.861 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -58.08 -40.43 81.07 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.347 -0.846 . . . . 0.0 109.15 -179.314 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 35.0 tp10 -60.84 -41.84 96.6 Favored 'General case' 0 N--CA 1.485 1.289 0 O-C-N 120.891 -1.131 . . . . 0.0 108.226 179.376 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 20.9 tp10 -61.61 -39.89 92.87 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.242 -0.912 . . . . 0.0 109.033 178.781 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.526 ' O ' ' N ' ' A' ' 16' ' ' HIS . 13.9 t60 -61.06 -47.27 87.13 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.48 -0.763 . . . . 0.0 109.886 179.482 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 78.0 tt0 -60.45 -41.97 95.18 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.13 -0.981 . . . . 0.0 110.752 -179.187 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -62.49 -30.24 71.12 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.463 -0.773 . . . . 0.0 112.833 -177.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -140.98 -3.64 1.23 Allowed 'General case' 0 N--CA 1.503 2.192 0 O-C-N 120.769 -1.207 . . . . 0.0 112.06 -177.424 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.526 ' N ' ' O ' ' A' ' 12' ' ' HIS . 84.3 m-70 54.2 41.73 31.86 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 107.314 -1.365 . . . . 0.0 107.314 -177.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 91.2 p -62.16 155.38 24.59 Favored 'General case' 0 N--CA 1.488 1.44 0 CA-C-O 121.333 0.587 . . . . 0.0 110.23 -179.123 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 -74.72 162.62 28.54 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.276 -0.89 . . . . 0.0 109.617 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 34.6 p-90 -58.8 -30.44 67.61 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.943 -1.098 . . . . 0.0 110.329 -179.5 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 56.1 mtp180 -62.91 -39.62 95.1 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.11 -0.993 . . . . 0.0 109.765 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.67 -49.16 56.25 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.162 -0.961 . . . . 0.0 109.119 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 78.0 mtm -60.77 -39.95 90.73 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.118 -0.989 . . . . 0.0 109.721 179.524 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.49 -48.56 80.4 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 120.936 -1.103 . . . . 0.0 109.1 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 13.8 m -70.4 -33.92 71.94 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.453 -0.78 . . . . 0.0 110.363 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 52.9 t0 -63.03 -43.4 98.8 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.35 -0.844 . . . . 0.0 110.808 -178.577 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -108.16 -0.25 21.14 Favored 'General case' 0 N--CA 1.503 2.202 0 O-C-N 121.179 -0.951 . . . . 0.0 110.419 -179.551 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 12.4 m120 59.02 49.86 8.97 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.349 -0.845 . . . . 0.0 109.593 179.714 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 63.7 mt -115.63 152.23 47.02 Favored Pre-proline 0 N--CA 1.504 2.247 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 14.8 Cg_endo -58.49 160.84 15.83 Favored 'Trans proline' 0 C--N 1.316 -1.158 0 C-N-CA 121.163 1.242 . . . . 0.0 110.666 179.028 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_endo -56.1 -33.35 89.76 Favored 'Trans proline' 0 C--N 1.304 -1.798 0 C-N-CA 122.514 2.143 . . . . 0.0 111.864 -179.226 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.548 HG11 HD11 ' B' ' 5' ' ' ILE . 68.1 t -56.91 -48.69 81.02 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.155 -0.966 . . . . 0.0 110.099 -179.118 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.433 HG13 HD11 ' A' ' 5' ' ' ILE . 50.5 t -66.49 -47.95 82.14 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.783 0 C-N-CA 118.379 -1.328 . . . . 0.0 109.306 -178.892 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.52 -45.18 80.34 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.191 -0.943 . . . . 0.0 109.906 179.76 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.2 mtpm? -62.11 -36.57 82.15 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.998 -1.064 . . . . 0.0 110.371 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.7 tm-20 -60.83 -39.05 87.61 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.846 -1.159 . . . . 0.0 109.753 -179.097 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 60.0 mt -60.06 -40.23 82.66 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.418 0 O-C-N 121.034 -1.041 . . . . 0.0 109.13 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 75.6 t -62.76 -39.59 85.43 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.37 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 179.157 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.31 -32.9 71.66 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.386 -0.821 . . . . 0.0 109.295 179.19 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.8 m -76.7 -30.83 56.86 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.041 -1.037 . . . . 0.0 109.509 -179.628 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 36.8 t -80.36 103.06 9.98 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.155 -0.966 . . . . 0.0 108.835 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -60.4 -29.51 69.01 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.293 -0.879 . . . . 0.0 109.969 -179.31 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -70.05 -40.08 75.32 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.262 -0.899 . . . . 0.0 110.606 -178.476 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 82.3 m -87.7 -16.41 34.38 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.988 -1.07 . . . . 0.0 109.9 179.732 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 -71.58 -70.54 0.32 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.392 -0.818 . . . . 0.0 109.265 -178.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 50.0 mt -79.65 109.58 14.18 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.122 -0.986 . . . . 0.0 108.511 179.008 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 60.5 tttm -89.88 -72.6 0.55 Allowed 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.749 -1.219 . . . . 0.0 110.136 -179.569 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -137.66 -29.72 0.27 Allowed Glycine 0 N--CA 1.496 2.682 0 N-CA-C 110.015 -1.234 . . . . 0.0 110.015 -179.489 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -63.55 135.4 56.8 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.254 -1.144 . . . . 0.0 108.951 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.542 ' HB1' ' H ' ' B' ' 50' ' ' MET . . . -173.48 176.1 2.88 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.102 -0.999 . . . . 0.0 109.203 179.701 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.494 ' H ' ' HB1' ' B' ' 49' ' ' ALA . 3.0 tpt -73.58 134.95 43.85 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.537 -0.727 . . . . 0.0 109.156 179.689 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 52.1 m80 -141.9 161.34 38.22 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.34 -0.85 . . . . 0.0 109.452 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -164.64 114.12 0.58 Allowed Glycine 0 N--CA 1.49 2.263 0 N-CA-C 108.591 -1.804 . . . . 0.0 108.591 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.541 ' O ' ' NE2' ' A' ' 53' ' ' GLN . 1.3 tm0? -96.9 92.08 5.94 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.185 -1.185 . . . . 0.0 110.021 -179.347 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.602 HG12 ' N ' ' A' ' 55' ' ' ASP . 59.8 t 52.13 169.87 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 121.421 -0.799 . . . . 0.0 110.365 178.816 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.602 ' N ' HG12 ' A' ' 54' ' ' VAL . 62.9 t0 . . . . . 0 N--CA 1.497 1.907 0 O-C-N 120.841 -1.162 . . . . 0.0 109.451 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 . . . . . 0 N--CA 1.492 1.642 0 CA-C-O 121.454 0.645 . . . . 0.0 109.619 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 24.4 mt -72.95 -40.11 65.64 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.27 -0.894 . . . . 0.0 111.373 -178.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -63.69 -45.7 88.86 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.906 -1.122 . . . . 0.0 110.959 -178.43 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.24 -47.59 51.46 Favored Glycine 0 N--CA 1.493 2.498 0 N-CA-C 109.54 -1.424 . . . . 0.0 109.54 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.548 HD11 HG11 ' A' ' 31' ' ' VAL . 90.3 mt -59.72 -38.5 76.19 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.554 0 O-C-N 121.376 -1.073 . . . . 0.0 110.266 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 48.5 t0 -54.4 -49.77 69.15 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 120.847 -1.158 . . . . 0.0 108.896 -178.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -68.54 -40.27 80.76 Favored 'General case' 0 N--CA 1.49 1.542 0 C-N-CA 119.254 -0.978 . . . . 0.0 109.298 178.763 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.14 -38.13 87.39 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.426 -0.796 . . . . 0.0 109.672 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 9' ' ' GLN . . . . . 0.408 ' N ' ' O ' ' B' ' 5' ' ' ILE . 57.7 tt0 -58.61 -40.04 82.15 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.102 -0.999 . . . . 0.0 109.198 -179.263 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 34.0 tp10 -60.95 -42.7 98.74 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 120.865 -1.147 . . . . 0.0 108.599 178.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 20.1 tp10 -60.75 -40.35 92.1 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.346 -0.847 . . . . 0.0 108.973 178.812 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 12' ' ' HIS . . . . . 0.569 ' O ' ' N ' ' B' ' 16' ' ' HIS . 13.2 t60 -60.59 -47.77 84.75 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.215 -0.928 . . . . 0.0 109.989 179.69 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 77.2 tt0 -60.09 -42.41 94.59 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.19 -0.943 . . . . 0.0 110.682 -179.225 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 56.0 mtpt -61.97 -30.7 71.1 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 121.354 -0.841 . . . . 0.0 112.765 -178.222 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -140.77 -4.15 1.24 Allowed 'General case' 0 N--CA 1.503 2.192 0 O-C-N 120.466 -1.396 . . . . 0.0 111.85 -177.172 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.569 ' N ' ' O ' ' B' ' 12' ' ' HIS . 85.1 m-70 54.8 42.01 31.48 Favored 'General case' 0 N--CA 1.496 1.874 0 N-CA-C 107.426 -1.324 . . . . 0.0 107.426 -177.562 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 99.0 p -62.38 155.97 23.76 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.489 -0.757 . . . . 0.0 110.0 -178.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -75.15 162.63 28.33 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.106 -0.996 . . . . 0.0 109.612 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 34.5 p-90 -58.48 -30.7 67.19 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.024 -1.048 . . . . 0.0 110.083 -179.508 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 56.3 mtp180 -62.59 -40.28 96.4 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.954 -1.091 . . . . 0.0 109.743 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.38 -48.13 62.11 Favored 'General case' 0 C--N 1.298 -1.638 0 C-N-CA 119.502 -0.879 . . . . 0.0 109.286 -179.672 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 78.0 mtm -61.97 -39.94 93.86 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.283 -0.886 . . . . 0.0 109.909 179.782 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.38 -48.59 80.13 Favored 'General case' 0 C--N 1.3 -1.582 0 C-N-CA 119.345 -0.942 . . . . 0.0 108.696 179.745 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 14.4 m -70.57 -33.52 71.19 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.379 -0.826 . . . . 0.0 110.438 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 51.1 t0 -63.21 -43.94 96.72 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.961 -1.087 . . . . 0.0 110.679 -178.585 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -107.63 0.58 22.61 Favored 'General case' 0 N--CA 1.502 2.166 0 O-C-N 121.235 -0.915 . . . . 0.0 110.373 -179.539 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 13.6 m120 58.33 49.81 10.47 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.372 -0.83 . . . . 0.0 109.619 179.782 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 66.3 mt -115.0 151.97 46.09 Favored Pre-proline 0 N--CA 1.503 2.217 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 179.776 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -58.71 160.54 17.34 Favored 'Trans proline' 0 N--CA 1.489 1.227 0 C-N-CA 121.43 1.42 . . . . 0.0 110.515 179.085 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -55.9 -32.67 86.23 Favored 'Trans proline' 0 C--N 1.307 -1.653 0 C-N-CA 122.538 2.159 . . . . 0.0 112.038 -179.252 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.601 HG11 HD11 ' A' ' 5' ' ' ILE . 72.7 t -57.89 -48.81 83.03 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.643 0 O-C-N 121.257 -0.902 . . . . 0.0 110.184 -179.032 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 32' ' ' VAL . . . . . 0.405 HG13 HD11 ' B' ' 5' ' ' ILE . 56.4 t -66.43 -47.49 83.71 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.887 0 C-N-CA 118.155 -1.418 . . . . 0.0 109.328 -178.898 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.55 -44.81 81.36 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.166 -0.958 . . . . 0.0 110.048 179.476 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 10.3 mtpm? -62.64 -36.9 84.3 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.851 -1.156 . . . . 0.0 110.243 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.2 tm-20 -60.12 -39.54 86.62 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.998 -1.064 . . . . 0.0 110.096 -179.664 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 59.8 mt -59.99 -40.41 83.0 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 120.991 -1.068 . . . . 0.0 108.815 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 76.0 t -62.03 -40.28 86.79 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.501 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 179.069 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.61 -33.27 71.26 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.574 -0.704 . . . . 0.0 109.561 179.438 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 61.5 m -76.43 -30.67 57.48 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.378 -0.826 . . . . 0.0 109.927 -179.702 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 38.1 t -80.6 102.95 10.12 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.181 -0.949 . . . . 0.0 109.096 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -60.15 -29.69 68.82 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.196 -0.94 . . . . 0.0 110.154 -179.666 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -70.12 -39.87 75.19 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.29 -0.881 . . . . 0.0 110.453 -178.297 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 84.5 m -87.82 -16.06 35.13 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 120.868 -1.145 . . . . 0.0 109.851 179.496 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 26.4 tt0 -72.16 -71.06 0.3 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.178 -0.951 . . . . 0.0 109.1 -178.808 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 48.1 mt -79.72 109.8 14.47 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.004 -1.06 . . . . 0.0 108.34 179.12 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 59.7 tttm -89.9 -73.24 0.53 Allowed 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.174 -0.953 . . . . 0.0 110.076 -179.482 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -137.31 -30.44 0.26 Allowed Glycine 0 N--CA 1.497 2.714 0 N-CA-C 109.583 -1.407 . . . . 0.0 109.583 -179.263 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -62.74 135.88 57.58 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.176 -1.19 . . . . 0.0 109.035 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 49' ' ' ALA . . . . . 0.494 ' HB1' ' H ' ' A' ' 50' ' ' MET . . . -173.33 176.61 2.83 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.12 -0.988 . . . . 0.0 109.521 179.705 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 50' ' ' MET . . . . . 0.542 ' H ' ' HB1' ' A' ' 49' ' ' ALA . 3.0 tpt -74.5 134.49 42.25 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.199 -0.938 . . . . 0.0 109.05 179.126 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 54.2 m80 -141.84 162.0 36.56 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.222 -0.924 . . . . 0.0 109.46 179.555 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -165.09 114.93 0.62 Allowed Glycine 0 N--CA 1.495 2.582 0 N-CA-C 108.6 -1.8 . . . . 0.0 108.6 179.596 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 53' ' ' GLN . . . . . 0.537 ' NE2' ' O ' ' B' ' 53' ' ' GLN . 1.3 tm0? -96.99 91.94 5.84 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.029 -1.277 . . . . 0.0 109.917 -178.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.595 HG12 ' N ' ' B' ' 55' ' ' ASP . 66.4 t 52.13 169.27 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.904 0 O-C-N 121.317 -0.865 . . . . 0.0 110.189 179.001 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.595 ' N ' HG12 ' B' ' 54' ' ' VAL . 66.2 t0 . . . . . 0 N--CA 1.496 1.839 0 O-C-N 120.92 -1.112 . . . . 0.0 109.521 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 76.6 m-85 . . . . . 0 N--CA 1.492 1.64 0 CA-C-O 121.268 0.556 . . . . 0.0 109.721 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 29.3 mt -70.98 -43.58 67.75 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.307 -0.87 . . . . 0.0 110.644 -178.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -62.94 -44.9 94.81 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.219 -0.926 . . . . 0.0 110.19 -179.017 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.3 -49.79 54.79 Favored Glycine 0 N--CA 1.495 2.599 0 N-CA-C 109.951 -1.26 . . . . 0.0 109.951 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 93.6 mt -59.46 -39.11 78.34 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.608 0 O-C-N 121.275 -1.132 . . . . 0.0 110.108 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -53.82 -42.11 68.06 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 120.659 -1.276 . . . . 0.0 108.866 -179.434 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 9.6 mtmp? -69.99 -45.34 67.52 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.14 -0.975 . . . . 0.0 109.494 178.779 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.96 -36.62 82.6 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.529 -0.732 . . . . 0.0 109.613 179.735 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -56.47 -39.96 74.08 Favored 'General case' 0 C--N 1.302 -1.466 0 C-N-CA 119.228 -0.989 . . . . 0.0 108.899 -179.498 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -62.64 -43.21 99.39 Favored 'General case' 0 C--N 1.304 -1.411 0 C-N-CA 118.941 -1.104 . . . . 0.0 109.27 179.53 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 23.6 tp10 -60.98 -40.3 92.93 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.042 -1.036 . . . . 0.0 108.638 179.362 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.498 ' O ' ' N ' ' A' ' 16' ' ' HIS . 13.2 t60 -61.47 -47.0 87.68 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.21 -0.931 . . . . 0.0 110.301 179.217 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.4 tp10 -59.58 -41.03 89.29 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.0 -1.063 . . . . 0.0 110.283 -178.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt -63.37 -31.82 73.09 Favored 'General case' 0 N--CA 1.497 1.914 0 N-CA-C 113.112 0.782 . . . . 0.0 113.112 -178.564 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -140.11 -2.13 1.5 Allowed 'General case' 0 N--CA 1.51 2.549 0 O-C-N 120.527 -1.358 . . . . 0.0 112.237 -177.171 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.498 ' N ' ' O ' ' A' ' 12' ' ' HIS . 88.3 m-70 53.22 45.12 29.22 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.445 -1.409 . . . . 0.0 107.487 -177.704 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 90.1 p -67.01 153.17 44.32 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.482 -0.761 . . . . 0.0 109.879 -178.615 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -71.78 160.34 32.77 Favored 'General case' 0 C--N 1.304 -1.385 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 179.593 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 41.6 p-90 -57.53 -29.5 64.41 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 121.267 -0.896 . . . . 0.0 110.531 -179.254 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -62.05 -40.94 97.48 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.163 -0.961 . . . . 0.0 109.907 -179.447 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.04 -49.31 62.21 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.471 -0.768 . . . . 0.0 110.0 -179.359 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 78.7 mtm -61.61 -39.94 93.05 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 120.937 -1.102 . . . . 0.0 109.473 179.74 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.481 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -54.42 -47.86 72.32 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.13 -0.981 . . . . 0.0 108.722 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 8.3 t -70.24 -36.97 74.86 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.359 -0.838 . . . . 0.0 110.391 179.449 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 61.6 t0 -60.72 -41.12 94.66 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.05 -1.031 . . . . 0.0 110.755 -178.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -110.62 0.5 17.58 Favored 'General case' 0 N--CA 1.503 2.18 0 O-C-N 121.33 -0.856 . . . . 0.0 109.611 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.481 ' N ' ' O ' ' A' ' 23' ' ' ALA . 65.4 t30 57.13 48.3 15.64 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.407 -0.808 . . . . 0.0 110.008 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 58.4 mt -114.76 152.88 46.78 Favored Pre-proline 0 N--CA 1.501 2.09 0 O-C-N 121.301 -0.874 . . . . 0.0 109.035 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -60.85 148.77 91.22 Favored 'Trans proline' 0 C--N 1.313 -1.307 0 C-N-CA 121.747 1.631 . . . . 0.0 111.422 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_exo -44.71 -33.59 7.21 Favored 'Trans proline' 0 C--N 1.311 -1.435 0 C-N-CA 121.7 1.6 . . . . 0.0 111.338 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 16.2 t -52.47 -52.2 27.85 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.675 0 O-C-N 121.291 -0.881 . . . . 0.0 110.579 -178.776 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 58.1 t -67.64 -48.07 77.76 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.713 0 C-N-CA 118.6 -1.24 . . . . 0.0 109.339 -178.808 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.51 -42.25 95.91 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.281 -0.887 . . . . 0.0 110.037 179.748 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -62.78 -35.96 81.55 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.704 -1.248 . . . . 0.0 110.55 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.6 tm-20 -60.49 -38.41 84.22 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 120.961 -1.087 . . . . 0.0 109.792 -179.381 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 34.9 mt -60.3 -40.22 83.2 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.414 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 74.5 t -64.75 -40.15 88.1 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.443 0 O-C-N 121.214 -0.929 . . . . 0.0 109.086 179.336 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.67 -30.58 70.83 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.173 -0.954 . . . . 0.0 108.788 179.027 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 55.1 m -78.43 -30.68 47.74 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.502 -0.749 . . . . 0.0 109.949 179.752 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 30.4 t -81.11 104.04 11.33 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 120.963 -1.086 . . . . 0.0 109.198 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -60.11 -30.54 69.34 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.693 -0.629 . . . . 0.0 110.899 -179.236 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 63.6 mttm -71.37 -40.06 70.86 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.229 -0.919 . . . . 0.0 110.698 -178.572 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 68.7 m -84.03 -23.02 31.09 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.96 -1.088 . . . . 0.0 109.615 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 44.6 tt0 -78.57 -71.08 0.45 Allowed 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.281 -0.887 . . . . 0.0 109.493 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 27.2 mt -86.36 87.57 7.46 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.118 -0.988 . . . . 0.0 109.079 179.305 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 54.3 pttt -95.36 -12.47 26.01 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.493 -0.754 . . . . 0.0 109.238 179.762 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -80.06 171.62 54.44 Favored Glycine 0 N--CA 1.489 2.23 0 N-CA-C 110.049 -1.221 . . . . 0.0 110.049 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -90.94 121.7 33.0 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.455 -1.027 . . . . 0.0 109.008 179.4 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -87.76 158.01 18.89 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.127 -0.983 . . . . 0.0 109.573 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.404 ' HA ' ' H ' ' B' ' 51' ' ' HIS . 81.5 mtp 51.78 74.06 0.28 Allowed 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.411 -0.806 . . . . 0.0 109.774 179.428 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.748 ' H ' ' H ' ' B' ' 51' ' ' HIS . 2.6 t60 -143.96 -173.91 4.12 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.52 -0.738 . . . . 0.0 110.026 -179.196 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.511 ' H ' ' CG ' ' A' ' 51' ' ' HIS . . . 84.45 50.67 4.17 Favored Glycine 0 N--CA 1.498 2.782 0 N-CA-C 109.928 -1.269 . . . . 0.0 109.928 179.786 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -83.02 136.16 34.6 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.087 -1.243 . . . . 0.0 110.317 -179.175 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.3 t 59.55 156.64 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.651 -0.656 . . . . 0.0 109.462 -179.628 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.423 ' N ' ' OD1' ' A' ' 55' ' ' ASP . 32.8 p-10 . . . . . 0 N--CA 1.491 1.595 0 CA-C-O 118.036 -0.983 . . . . 0.0 109.114 179.578 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 . . . . . 0 N--CA 1.491 1.593 0 CA-C-O 121.198 0.523 . . . . 0.0 109.776 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 30.5 mt -71.44 -43.83 65.95 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.104 -0.998 . . . . 0.0 110.447 -179.174 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -62.59 -44.08 97.21 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.251 -0.906 . . . . 0.0 110.556 -178.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.35 -48.42 51.94 Favored Glycine 0 N--CA 1.496 2.642 0 N-CA-C 109.665 -1.374 . . . . 0.0 109.665 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 95.3 mt -59.84 -38.44 76.22 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.486 0 O-C-N 121.187 -1.184 . . . . 0.0 110.233 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -55.08 -42.24 72.57 Favored 'General case' 0 C--N 1.3 -1.582 0 C-N-CA 118.756 -1.177 . . . . 0.0 109.094 -179.022 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 9.4 mtmp? -69.73 -44.98 69.19 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.27 -0.894 . . . . 0.0 109.484 178.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.55 -35.41 78.99 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.669 -0.645 . . . . 0.0 109.551 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -57.9 -39.87 78.94 Favored 'General case' 0 C--N 1.303 -1.416 0 C-N-CA 119.37 -0.932 . . . . 0.0 108.964 -179.491 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -62.43 -42.01 99.13 Favored 'General case' 0 C--N 1.305 -1.338 0 C-N-CA 118.965 -1.094 . . . . 0.0 109.106 179.29 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 28.1 tp10 -61.69 -41.11 97.14 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.139 -0.976 . . . . 0.0 108.69 179.205 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 12' ' ' HIS . . . . . 0.481 ' O ' ' N ' ' B' ' 16' ' ' HIS . 13.7 t60 -60.79 -46.64 89.71 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.251 -0.906 . . . . 0.0 110.137 179.369 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 50.4 tp10 -59.55 -41.06 89.24 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.089 -1.007 . . . . 0.0 110.136 -179.09 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -63.58 -31.97 73.3 Favored 'General case' 0 N--CA 1.493 1.694 0 N-CA-C 113.021 0.748 . . . . 0.0 113.021 -178.388 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -139.92 -2.1 1.54 Allowed 'General case' 0 N--CA 1.509 2.492 0 O-C-N 120.452 -1.405 . . . . 0.0 112.255 -177.288 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.481 ' N ' ' O ' ' B' ' 12' ' ' HIS . 85.3 m-70 53.9 42.36 31.73 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.468 -1.395 . . . . 0.0 107.395 -177.83 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 93.3 p -64.75 153.28 40.29 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.548 -0.72 . . . . 0.0 110.045 -178.675 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -71.63 160.11 33.23 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.499 -0.75 . . . . 0.0 109.043 179.766 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 41.7 p-90 -57.64 -29.51 64.64 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.377 -0.827 . . . . 0.0 110.395 -179.277 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -62.06 -41.52 98.24 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.172 -0.955 . . . . 0.0 109.751 -179.629 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.56 -50.05 60.37 Favored 'General case' 0 C--N 1.298 -1.647 0 O-C-N 121.454 -0.779 . . . . 0.0 109.814 -179.202 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 78.8 mtm -60.95 -39.88 91.18 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.084 -1.01 . . . . 0.0 109.508 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.474 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -54.83 -48.45 72.83 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.058 -1.026 . . . . 0.0 108.775 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 8.1 t -70.23 -35.84 74.12 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.368 -0.833 . . . . 0.0 110.398 179.715 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -60.47 -42.51 96.4 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.243 -0.911 . . . . 0.0 110.375 -179.166 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -109.94 1.65 19.24 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.507 -0.746 . . . . 0.0 109.818 -179.64 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.474 ' N ' ' O ' ' B' ' 23' ' ' ALA . 66.5 t30 56.87 46.39 19.8 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.431 -0.793 . . . . 0.0 110.179 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 61.4 mt -112.74 153.1 45.18 Favored Pre-proline 0 N--CA 1.503 2.177 0 O-C-N 121.176 -0.953 . . . . 0.0 109.189 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -61.07 149.71 87.79 Favored 'Trans proline' 0 N--CA 1.49 1.309 0 C-N-CA 121.594 1.529 . . . . 0.0 111.504 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -44.98 -34.45 8.91 Favored 'Trans proline' 0 C--N 1.314 -1.246 0 C-N-CA 121.686 1.591 . . . . 0.0 111.628 179.615 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 14.1 t -51.84 -52.09 24.49 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.389 -0.819 . . . . 0.0 110.681 -178.614 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 59.9 t -67.49 -48.68 76.26 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.733 0 C-N-CA 118.861 -1.136 . . . . 0.0 109.461 -178.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.58 -42.4 95.65 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.336 -0.853 . . . . 0.0 110.168 179.685 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 57.6 mtpt -62.95 -34.28 77.15 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 120.863 -1.148 . . . . 0.0 110.765 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.3 tm-20 -61.14 -39.81 91.47 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.043 -1.035 . . . . 0.0 109.569 -179.514 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 32.5 mt -59.72 -40.55 82.72 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.393 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 -179.318 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 69.6 t -64.53 -40.15 88.07 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.559 0 O-C-N 121.342 -0.849 . . . . 0.0 108.885 179.342 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 38' ' ' ALA . . . . . 0.467 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -61.99 -30.76 71.16 Favored 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 179.013 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 66.6 m -78.25 -30.76 48.82 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.543 -0.723 . . . . 0.0 109.513 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 36.6 t -80.88 105.41 12.09 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.14 -0.975 . . . . 0.0 109.219 -179.738 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 -60.52 -31.46 70.53 Favored 'General case' 0 N--CA 1.492 1.664 0 CA-C-O 121.213 0.53 . . . . 0.0 111.007 -179.424 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 63.9 mttm -70.76 -40.26 72.75 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.958 -1.089 . . . . 0.0 111.048 -178.644 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 69.3 m -84.24 -22.85 30.68 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.068 -1.02 . . . . 0.0 109.668 -179.502 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 44' ' ' GLN . . . . . 0.467 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 6.7 tt0 -79.31 -71.07 0.46 Allowed 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.301 -0.874 . . . . 0.0 109.086 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 38.3 mt -85.41 88.56 7.52 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.978 -1.076 . . . . 0.0 108.948 179.33 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 53.1 pttt -96.37 -14.42 22.52 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.399 -0.813 . . . . 0.0 109.255 179.526 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -78.71 171.01 55.05 Favored Glycine 0 N--CA 1.485 1.965 0 N-CA-C 109.523 -1.431 . . . . 0.0 109.523 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -89.75 126.57 35.72 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.311 -1.111 . . . . 0.0 108.832 179.592 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -92.25 157.84 16.45 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.117 -0.989 . . . . 0.0 109.097 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 50' ' ' MET . . . . . 0.492 ' HA ' ' H ' ' A' ' 51' ' ' HIS . 80.1 mtp 51.44 76.3 0.17 Allowed 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.365 -0.834 . . . . 0.0 109.629 179.784 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 51' ' ' HIS . . . . . 0.748 ' H ' ' H ' ' A' ' 51' ' ' HIS . 3.2 t60 -146.43 -172.15 3.89 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.291 -0.881 . . . . 0.0 109.553 -179.359 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 52' ' ' GLY . . . . . 0.504 ' H ' ' CG ' ' B' ' 51' ' ' HIS . . . 83.54 48.58 5.23 Favored Glycine 0 N--CA 1.5 2.955 0 O-C-N 120.549 -1.344 . . . . 0.0 110.013 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 53' ' ' GLN . . . . . 0.413 ' O ' ' O ' ' B' ' 54' ' ' VAL . 15.0 pt20 -80.89 137.05 36.15 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.249 -1.148 . . . . 0.0 110.441 -179.605 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.413 ' O ' ' O ' ' B' ' 53' ' ' GLN . 3.5 t 57.96 158.16 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 O-C-N 121.701 -0.624 . . . . 0.0 109.792 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.435 ' OD1' ' N ' ' B' ' 55' ' ' ASP . 33.7 p-10 . . . . . 0 N--CA 1.49 1.532 0 CA-C-O 117.882 -1.056 . . . . 0.0 108.91 179.481 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 . . . . . 0 N--CA 1.489 1.504 0 CA-C-O 121.444 0.64 . . . . 0.0 109.522 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 51.5 mt -71.13 -41.35 70.62 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.249 -0.907 . . . . 0.0 111.003 -178.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 48.3 t0 -62.47 -48.1 81.11 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.676 -1.265 . . . . 0.0 111.442 -178.54 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.38 -49.2 53.41 Favored Glycine 0 N--CA 1.49 2.251 0 N-CA-C 108.86 -1.696 . . . . 0.0 108.86 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.548 HD11 HG11 ' B' ' 31' ' ' VAL . 75.7 mt -56.12 -39.17 57.24 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.538 0 O-C-N 121.452 -1.028 . . . . 0.0 110.332 179.66 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 85.9 m-20 -55.15 -45.81 75.67 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.596 -1.315 . . . . 0.0 109.747 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 46.5 mtpt -70.66 -44.59 66.76 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.44 -0.788 . . . . 0.0 109.165 179.167 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.37 -34.31 78.01 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 -179.666 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' A' ' 5' ' ' ILE . 60.0 tt0 -58.23 -41.27 83.76 Favored 'General case' 0 C--N 1.305 -1.357 0 C-N-CA 119.787 -0.765 . . . . 0.0 108.946 -179.394 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -62.19 -39.7 93.57 Favored 'General case' 0 C--N 1.301 -1.518 0 C-N-CA 119.019 -1.072 . . . . 0.0 108.301 179.49 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.7 tm-20 -61.26 -40.79 95.4 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 179.504 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.54 ' O ' ' N ' ' A' ' 16' ' ' HIS . 16.3 t60 -63.72 -43.69 95.79 Favored 'General case' 0 C--N 1.302 -1.46 0 C-N-CA 119.26 -0.976 . . . . 0.0 110.136 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 -62.21 -42.54 99.39 Favored 'General case' 0 C--N 1.296 -1.724 0 O-C-N 121.242 -0.912 . . . . 0.0 110.514 -179.038 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 56.8 mtpt -61.59 -34.35 75.47 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.553 -0.717 . . . . 0.0 112.302 -178.446 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 -136.27 -5.21 2.08 Favored 'General case' 0 N--CA 1.507 2.381 0 O-C-N 120.953 -1.092 . . . . 0.0 112.68 -176.718 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.54 ' N ' ' O ' ' A' ' 12' ' ' HIS . 91.1 m-70 54.75 45.53 26.52 Favored 'General case' 0 N--CA 1.493 1.712 0 N-CA-C 106.881 -1.525 . . . . 0.0 106.881 -176.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 91.6 p -67.52 154.28 41.78 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.42 -0.8 . . . . 0.0 109.796 -179.186 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 30.7 m120 -71.81 159.08 34.93 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.409 -0.807 . . . . 0.0 109.279 179.398 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 48.0 p-90 -57.76 -28.99 64.44 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.033 -1.042 . . . . 0.0 110.168 -179.649 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -62.2 -41.3 98.22 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 120.739 -1.225 . . . . 0.0 109.365 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.08 -49.69 64.22 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.208 -0.933 . . . . 0.0 109.619 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 79.4 mtm -61.2 -39.57 90.7 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.542 -0.724 . . . . 0.0 109.835 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.541 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -59.36 -46.57 88.28 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 179.812 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.1 t -69.2 -37.89 78.34 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.23 -0.919 . . . . 0.0 110.06 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 56.8 t0 -60.04 -39.92 87.59 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.297 -0.877 . . . . 0.0 110.388 -178.726 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -111.26 -0.1 16.55 Favored 'General case' 0 N--CA 1.502 2.157 0 O-C-N 121.302 -0.874 . . . . 0.0 109.645 179.79 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.541 ' N ' ' O ' ' A' ' 23' ' ' ALA . 52.0 t30 55.58 50.77 13.83 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.484 -0.76 . . . . 0.0 110.396 179.257 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 67.1 mt -117.01 150.11 45.37 Favored Pre-proline 0 N--CA 1.508 2.445 0 O-C-N 121.13 -0.981 . . . . 0.0 110.514 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -44.95 156.8 0.23 Allowed 'Trans proline' 0 N--CA 1.486 1.053 0 C-N-CA 121.439 1.426 . . . . 0.0 110.87 178.167 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.413 ' O ' ' N ' ' A' ' 34' ' ' LYS . 9.9 Cg_endo -56.91 -31.42 89.3 Favored 'Trans proline' 0 C--N 1.306 -1.675 0 C-N-CA 121.658 1.572 . . . . 0.0 111.349 179.182 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.499 HG11 HD11 ' B' ' 5' ' ' ILE . 61.3 t -55.36 -48.47 76.81 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.555 -0.715 . . . . 0.0 110.562 -178.395 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.525 HG13 HD11 ' A' ' 5' ' ' ILE . 69.2 t -66.89 -50.46 64.72 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.879 0 O-C-N 120.871 -1.143 . . . . 0.0 109.921 -179.156 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.82 -40.41 91.81 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 121.117 -0.989 . . . . 0.0 109.587 179.672 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' A' ' 30' ' ' PRO . 13.8 mmmt -62.1 -40.45 95.89 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.366 -0.834 . . . . 0.0 109.494 179.504 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.7 tm-20 -59.65 -40.08 86.5 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.185 -0.947 . . . . 0.0 110.65 -178.499 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 21.7 mt -59.82 -43.78 92.62 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 O-C-N 120.949 -1.095 . . . . 0.0 108.487 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 75.4 t -64.07 -39.95 87.29 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.886 0 C-N-CA 119.312 -0.955 . . . . 0.0 109.004 179.293 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.52 -34.75 73.02 Favored 'General case' 0 C--N 1.297 -1.708 0 CA-C-O 121.512 0.672 . . . . 0.0 110.345 -179.446 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.7 m -78.53 -23.92 45.97 Favored 'General case' 0 C--N 1.295 -1.781 0 O-C-N 121.336 -0.853 . . . . 0.0 110.332 -178.649 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 43.0 t -80.81 100.94 9.06 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.043 -1.036 . . . . 0.0 109.236 -179.551 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 -60.07 -30.2 69.06 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.383 -0.823 . . . . 0.0 110.416 -179.216 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 64.3 mttm -69.07 -30.01 68.25 Favored 'General case' 0 C--N 1.297 -1.684 0 O-C-N 120.845 -1.159 . . . . 0.0 110.724 -178.37 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 25.7 m -91.41 -59.86 2.03 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.073 -1.017 . . . . 0.0 112.656 -178.661 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.428 ' NE2' ' OE1' ' B' ' 44' ' ' GLN . 14.3 tt0 -69.06 -39.1 79.34 Favored 'General case' 0 N--CA 1.503 2.199 0 O-C-N 120.757 -1.215 . . . . 0.0 112.893 -176.467 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 66.2 mt -81.99 12.2 4.37 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 120.355 -1.466 . . . . 0.0 109.746 -178.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -83.56 124.65 30.99 Favored 'General case' 0 C--N 1.293 -1.864 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 178.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 160.43 -162.37 33.29 Favored Glycine 0 N--CA 1.49 2.257 0 N-CA-C 109.327 -1.509 . . . . 0.0 109.327 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -89.09 128.63 35.76 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.179 -1.189 . . . . 0.0 109.812 179.638 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -94.6 -177.76 4.33 Favored 'General case' 0 N--CA 1.498 1.926 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 178.824 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 63.1 mtt -59.69 -13.99 12.17 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 120.805 -1.184 . . . . 0.0 110.438 -179.17 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 -86.55 129.63 34.79 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.698 -1.251 . . . . 0.0 109.1 179.254 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -177.84 -52.45 0.07 OUTLIER Glycine 0 N--CA 1.487 2.092 0 N-CA-C 108.327 -1.909 . . . . 0.0 108.327 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -75.24 165.45 25.17 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.378 -1.072 . . . . 0.0 108.651 179.306 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.8 t 62.38 159.73 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.504 2.268 0 O-C-N 121.365 -0.834 . . . . 0.0 109.229 -178.761 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 40.7 t0 . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 117.787 -1.101 . . . . 0.0 109.015 -179.909 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 . . . . . 0 N--CA 1.489 1.502 0 CA-C-O 121.653 0.74 . . . . 0.0 109.364 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 48.2 mt -70.28 -38.72 75.11 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.646 -0.659 . . . . 0.0 111.138 -178.804 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -64.24 -47.46 79.57 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.011 -1.056 . . . . 0.0 111.295 -178.204 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.28 -46.91 55.25 Favored Glycine 0 N--CA 1.491 2.331 0 N-CA-C 109.307 -1.517 . . . . 0.0 109.307 -179.56 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.528 ' O ' ' N ' ' B' ' 9' ' ' GLN . 68.8 mt -58.14 -39.88 74.9 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.574 -0.957 . . . . 0.0 109.778 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -55.05 -46.08 75.32 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.606 -1.309 . . . . 0.0 109.448 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 44.1 mtpt -69.18 -43.5 74.1 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.068 -1.02 . . . . 0.0 109.074 178.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.69 -34.06 77.01 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.691 -0.631 . . . . 0.0 109.546 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 9' ' ' GLN . . . . . 0.528 ' N ' ' O ' ' B' ' 5' ' ' ILE . 58.5 tt0 -57.86 -42.06 83.71 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.347 -0.846 . . . . 0.0 109.155 -179.599 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -61.36 -41.92 97.85 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 121.215 -0.928 . . . . 0.0 108.758 179.167 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 10.1 tm-20 -60.02 -39.92 87.51 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.29 -0.881 . . . . 0.0 109.144 179.215 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 12' ' ' HIS . . . . . 0.56 ' O ' ' N ' ' B' ' 16' ' ' HIS . 15.7 t60 -64.43 -43.69 93.53 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.047 -1.033 . . . . 0.0 109.95 179.799 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 72.6 tt0 -62.64 -42.39 99.57 Favored 'General case' 0 C--N 1.298 -1.652 0 O-C-N 121.241 -0.912 . . . . 0.0 110.794 -179.055 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 57.3 mtpt -61.98 -34.9 76.99 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.616 -0.678 . . . . 0.0 112.2 -178.69 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -134.97 -4.19 2.46 Favored 'General case' 0 N--CA 1.509 2.523 0 O-C-N 120.735 -1.228 . . . . 0.0 112.734 -177.014 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.56 ' N ' ' O ' ' B' ' 12' ' ' HIS . 89.8 m-70 54.17 43.84 30.04 Favored 'General case' 0 N--CA 1.492 1.643 0 N-CA-C 107.275 -1.38 . . . . 0.0 107.275 -177.102 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 87.5 p -65.52 156.63 31.94 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.39 -0.819 . . . . 0.0 110.536 -178.815 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 29.7 m120 -73.78 159.28 33.16 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.293 -0.879 . . . . 0.0 109.515 179.23 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 44.8 p-90 -58.06 -28.24 64.35 Favored 'General case' 0 C--N 1.297 -1.676 0 O-C-N 121.114 -0.992 . . . . 0.0 110.007 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -63.96 -39.84 95.05 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.05 -1.031 . . . . 0.0 109.513 179.761 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.54 -49.82 50.8 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.359 -0.838 . . . . 0.0 109.102 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 80.1 mtm -60.32 -40.14 89.55 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.39 -0.819 . . . . 0.0 109.663 179.634 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.537 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -58.83 -46.96 86.45 Favored 'General case' 0 C--N 1.304 -1.397 0 C-N-CA 119.0 -1.08 . . . . 0.0 108.767 -179.824 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 26.9 t -69.02 -37.39 78.61 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.095 -1.003 . . . . 0.0 110.103 179.616 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 59.5 t0 -60.2 -40.33 89.68 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.139 -0.976 . . . . 0.0 110.494 -179.509 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -110.04 -2.89 16.79 Favored 'General case' 0 N--CA 1.505 2.304 0 O-C-N 121.039 -1.038 . . . . 0.0 109.988 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.537 ' N ' ' O ' ' B' ' 23' ' ' ALA . 43.4 t30 57.39 50.47 11.33 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.787 -0.571 . . . . 0.0 110.309 179.226 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 75.5 mt -116.77 151.25 47.04 Favored Pre-proline 0 N--CA 1.501 2.083 0 O-C-N 121.335 -0.853 . . . . 0.0 110.16 -179.245 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -46.01 156.78 0.44 Allowed 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 121.742 1.628 . . . . 0.0 110.674 178.056 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_endo -57.74 -29.8 86.98 Favored 'Trans proline' 0 C--N 1.305 -1.717 0 C-N-CA 121.652 1.568 . . . . 0.0 110.905 179.174 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.548 HG11 HD11 ' A' ' 5' ' ' ILE . 53.5 t -56.82 -48.86 80.48 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.508 0 O-C-N 121.655 -0.653 . . . . 0.0 110.145 -178.307 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 32' ' ' VAL . . . . . 0.47 HG13 HD11 ' B' ' 5' ' ' ILE . 99.4 t -66.22 -50.13 70.77 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.943 0 C-N-CA 118.584 -1.246 . . . . 0.0 109.452 -178.759 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.17 -42.04 94.06 Favored 'General case' 0 C--N 1.299 -1.63 0 O-C-N 121.583 -0.698 . . . . 0.0 109.736 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 13.7 mmmt -62.06 -38.93 90.62 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.904 -1.122 . . . . 0.0 110.066 179.387 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 14.0 tm-20 -61.02 -40.08 92.22 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.129 -0.982 . . . . 0.0 110.618 -178.708 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 43.3 mt -60.29 -41.11 85.89 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.771 0 O-C-N 120.727 -1.233 . . . . 0.0 108.46 -179.665 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 65.3 t -66.48 -39.29 83.62 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.686 0 O-C-N 121.185 -0.947 . . . . 0.0 108.949 179.112 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.75 -33.32 72.76 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.549 -0.719 . . . . 0.0 110.556 -179.376 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 22.0 m -79.7 -23.29 42.5 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.308 -0.87 . . . . 0.0 109.866 -178.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 48.4 t -80.18 100.15 8.14 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.084 -1.01 . . . . 0.0 108.96 179.482 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -60.31 -29.95 69.18 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 121.528 -0.732 . . . . 0.0 110.117 -179.46 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 63.0 mttm -69.38 -30.9 68.99 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.788 -1.195 . . . . 0.0 111.297 -178.019 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 22.0 m -90.74 -59.32 2.21 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.38 -0.825 . . . . 0.0 112.569 -178.586 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 44' ' ' GLN . . . . . 0.428 ' OE1' ' NE2' ' A' ' 44' ' ' GLN . 45.9 tt0 -69.63 -39.82 76.91 Favored 'General case' 0 N--CA 1.503 2.194 0 O-C-N 120.487 -1.383 . . . . 0.0 112.731 -176.753 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 64.1 mt -80.46 12.74 2.83 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 120.357 -1.464 . . . . 0.0 109.85 -178.608 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -84.28 126.27 33.02 Favored 'General case' 0 C--N 1.296 -1.726 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 179.257 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 159.6 -162.63 33.07 Favored Glycine 0 N--CA 1.487 2.046 0 N-CA-C 109.4 -1.48 . . . . 0.0 109.4 -179.647 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -89.44 128.94 36.01 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.239 -1.154 . . . . 0.0 109.48 179.685 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -94.51 -178.83 4.69 Favored 'General case' 0 C--N 1.297 -1.706 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 179.192 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 58.5 mtt -59.79 -13.6 11.1 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.615 -1.303 . . . . 0.0 110.041 -179.049 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 56.2 t-80 -86.5 128.93 35.01 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.683 -1.261 . . . . 0.0 109.202 178.808 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -177.32 -55.55 0.07 OUTLIER Glycine 0 N--CA 1.489 2.199 0 N-CA-C 108.833 -1.707 . . . . 0.0 108.833 -179.725 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 53' ' ' GLN . . . . . 0.409 ' O ' ' O ' ' B' ' 54' ' ' VAL . 87.4 mt-30 -73.08 169.24 17.42 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.46 -1.024 . . . . 0.0 108.968 179.547 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.409 ' O ' ' O ' ' B' ' 53' ' ' GLN . 13.4 t 59.46 156.93 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.5 2.063 0 O-C-N 121.208 -0.933 . . . . 0.0 109.114 -178.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 51.8 t0 . . . . . 0 C--N 1.304 -1.406 0 CA-C-O 117.901 -1.047 . . . . 0.0 108.393 179.434 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.465 ' O ' HD12 ' A' ' 5' ' ' ILE . 46.4 m-85 . . . . . 0 N--CA 1.49 1.552 0 CA-C-O 121.566 0.698 . . . . 0.0 109.435 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 19.0 mt -71.24 -19.81 62.32 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.604 -0.685 . . . . 0.0 111.548 -178.654 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.547 ' OD1' ' N ' ' A' ' 3' ' ' ASP . 13.4 p-10 -67.65 -65.03 0.74 Allowed 'General case' 0 C--N 1.295 -1.804 0 O-C-N 121.045 -1.034 . . . . 0.0 111.309 -178.522 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.401 ' H ' ' CG ' ' A' ' 3' ' ' ASP . . . -61.05 -40.36 98.4 Favored Glycine 0 N--CA 1.497 2.764 0 N-CA-C 110.144 -1.183 . . . . 0.0 110.144 -179.24 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.495 ' O ' ' N ' ' A' ' 9' ' ' GLN . 96.6 mt -59.75 -40.24 81.95 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.536 0 O-C-N 121.531 -0.982 . . . . 0.0 109.932 -179.464 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 59.4 t0 -54.97 -44.83 74.77 Favored 'General case' 0 N--CA 1.485 1.294 0 O-C-N 120.817 -1.177 . . . . 0.0 108.163 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 60.1 tttp -69.17 -44.64 71.8 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.284 -0.885 . . . . 0.0 109.141 178.674 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.64 -34.15 77.61 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.236 -0.915 . . . . 0.0 109.496 179.464 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.495 ' N ' ' O ' ' A' ' 5' ' ' ILE . 58.5 tt0 -58.23 -42.04 85.44 Favored 'General case' 0 C--N 1.303 -1.456 0 C-N-CA 119.625 -0.83 . . . . 0.0 109.233 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -59.92 -40.44 88.89 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 119.527 -0.869 . . . . 0.0 109.547 179.609 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -60.68 -41.27 94.79 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 179.626 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.546 ' O ' ' N ' ' A' ' 16' ' ' HIS . 16.0 t60 -61.32 -47.02 87.87 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.363 -0.836 . . . . 0.0 110.026 179.382 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 34.1 tp10 -60.28 -41.27 92.99 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.007 -1.058 . . . . 0.0 110.415 -179.323 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.1 mtpp -61.23 -37.03 81.6 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.162 -0.961 . . . . 0.0 112.655 -178.652 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -135.13 -3.96 2.43 Favored 'General case' 0 N--CA 1.507 2.384 0 O-C-N 120.989 -1.07 . . . . 0.0 112.662 -176.62 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.546 ' N ' ' O ' ' A' ' 12' ' ' HIS . 89.2 m-70 55.65 49.92 15.44 Favored 'General case' 0 N--CA 1.496 1.848 0 N-CA-C 107.447 -1.316 . . . . 0.0 107.447 -177.639 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 68.0 p -69.57 154.05 42.57 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.664 -0.648 . . . . 0.0 110.786 -178.568 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -73.24 155.39 39.58 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.41 -0.807 . . . . 0.0 108.954 179.717 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 40.5 p-90 -55.03 -30.34 59.33 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.17 -0.956 . . . . 0.0 110.111 -179.351 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 85.6 mtm180 -62.03 -40.47 95.83 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.072 -1.018 . . . . 0.0 109.931 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.55 -48.69 54.13 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.266 -0.896 . . . . 0.0 109.234 -179.595 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 76.8 mtm -59.94 -39.88 87.05 Favored 'General case' 0 C--N 1.304 -1.409 0 C-N-CA 119.673 -0.811 . . . . 0.0 109.388 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -57.65 -48.44 79.48 Favored 'General case' 0 C--N 1.297 -1.715 0 C-N-CA 119.054 -1.058 . . . . 0.0 109.109 179.591 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 35.1 t -69.91 -35.38 74.56 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.253 -0.904 . . . . 0.0 110.612 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 54.2 m-20 -60.79 -40.03 91.12 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.326 -0.859 . . . . 0.0 110.557 -178.198 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -112.23 -1.63 15.13 Favored 'General case' 0 N--CA 1.502 2.152 0 O-C-N 121.302 -0.874 . . . . 0.0 110.089 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.456 ' N ' ' O ' ' A' ' 23' ' ' ALA . 42.7 t30 59.95 48.72 8.47 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.352 -0.843 . . . . 0.0 109.152 -179.755 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 75.8 mt -111.37 152.29 43.79 Favored Pre-proline 0 N--CA 1.499 1.984 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 179.743 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -59.96 159.81 24.19 Favored 'Trans proline' 0 C--N 1.312 -1.386 0 C-N-CA 121.242 1.295 . . . . 0.0 111.315 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -55.35 -36.3 93.5 Favored 'Trans proline' 0 C--N 1.307 -1.622 0 C-N-CA 122.418 2.079 . . . . 0.0 110.699 -179.523 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 32.3 t -54.01 -48.58 63.9 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.706 0 C-N-CA 119.749 -0.781 . . . . 0.0 110.377 -179.431 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 58.1 t -69.13 -46.66 77.71 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.968 0 C-N-CA 118.522 -1.271 . . . . 0.0 109.673 -178.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.93 -45.03 83.31 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.358 -0.839 . . . . 0.0 109.851 179.721 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp -61.96 -34.89 76.97 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.038 -1.039 . . . . 0.0 110.25 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -63.81 -39.04 93.3 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.054 -1.029 . . . . 0.0 110.383 -179.63 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 59.8 mt -59.81 -40.59 83.06 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 O-C-N 120.841 -1.162 . . . . 0.0 108.442 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 90.6 t -64.04 -38.99 83.86 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.631 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 178.564 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.54 -34.05 73.55 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.545 -0.722 . . . . 0.0 110.264 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.2 m -78.44 -25.25 45.9 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.082 -1.011 . . . . 0.0 109.626 -179.284 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 40.9 t -82.86 101.23 10.84 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.414 -0.804 . . . . 0.0 109.243 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -60.44 -29.76 69.21 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.642 -0.662 . . . . 0.0 110.093 -179.552 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 64.0 mttm -68.96 -39.92 79.21 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 120.848 -1.157 . . . . 0.0 109.968 -178.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 67.6 m -86.16 -20.2 28.96 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.153 -0.967 . . . . 0.0 109.878 179.773 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -74.64 -73.16 0.25 Allowed 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.049 -1.032 . . . . 0.0 109.057 -179.7 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 34.1 mt -82.15 112.04 18.82 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 179.304 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 54.6 tttp -88.49 -75.57 0.42 Allowed 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.002 -1.061 . . . . 0.0 109.952 -179.487 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -96.1 126.04 8.64 Favored Glycine 0 N--CA 1.496 2.664 0 N-CA-C 109.813 -1.315 . . . . 0.0 109.813 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 19.6 pt-20 -89.57 137.35 32.4 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.373 -1.074 . . . . 0.0 108.499 179.136 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -77.02 150.77 35.77 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.063 -1.023 . . . . 0.0 110.462 -179.326 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 1.8 mmm -179.69 154.98 0.62 Allowed 'General case' 0 N--CA 1.496 1.872 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 50.5 m-70 48.8 -100.08 0.07 Allowed 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.168 -0.957 . . . . 0.0 110.469 178.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 85.13 -74.24 2.51 Favored Glycine 0 N--CA 1.494 2.535 0 N-CA-C 109.967 -1.253 . . . . 0.0 109.967 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.415 ' O ' ' CG2' ' A' ' 54' ' ' VAL . 84.5 mt-30 -95.18 142.59 27.43 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.443 -1.033 . . . . 0.0 109.663 -179.411 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.415 ' CG2' ' O ' ' A' ' 53' ' ' GLN . 26.4 m 43.12 -153.32 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.955 0 O-C-N 121.575 -0.703 . . . . 0.0 110.221 179.405 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 65.7 t0 . . . . . 0 N--CA 1.49 1.569 0 CA-C-O 118.103 -0.951 . . . . 0.0 109.911 -179.952 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 1' ' ' PHE . . . . . 0.53 ' O ' HD12 ' B' ' 5' ' ' ILE . 43.9 m-85 . . . . . 0 N--CA 1.491 1.577 0 CA-C-O 121.314 0.578 . . . . 0.0 109.644 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 19.5 mt -73.09 -17.39 61.42 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.575 -0.703 . . . . 0.0 111.345 -178.222 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 3' ' ' ASP . . . . . 0.524 ' OD1' ' N ' ' B' ' 3' ' ' ASP . 14.3 p-10 -69.95 -64.95 0.79 Allowed 'General case' 0 C--N 1.3 -1.569 0 O-C-N 120.843 -1.161 . . . . 0.0 110.85 -178.839 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 4' ' ' GLY . . . . . 0.432 ' H ' ' CG ' ' B' ' 3' ' ' ASP . . . -59.99 -41.57 97.96 Favored Glycine 0 N--CA 1.498 2.832 0 N-CA-C 110.314 -1.114 . . . . 0.0 110.314 -179.514 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.53 HD12 ' O ' ' B' ' 1' ' ' PHE . 95.8 mt -59.64 -40.64 82.75 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 O-C-N 121.392 -1.064 . . . . 0.0 110.016 -179.646 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 62.7 t0 -54.88 -44.14 73.82 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 120.756 -1.215 . . . . 0.0 108.593 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 60.2 tttp -69.65 -45.27 68.8 Favored 'General case' 0 N--CA 1.491 1.607 0 C-N-CA 119.521 -0.872 . . . . 0.0 108.935 178.455 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.71 -33.59 76.33 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.496 -0.753 . . . . 0.0 109.538 179.442 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 9' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' B' ' 5' ' ' ILE . 58.9 tt0 -58.68 -41.19 85.63 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.25 -0.906 . . . . 0.0 109.026 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -60.83 -41.64 96.15 Favored 'General case' 0 C--N 1.302 -1.491 0 C-N-CA 119.148 -1.021 . . . . 0.0 109.202 179.197 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -59.48 -39.77 84.79 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.125 -0.984 . . . . 0.0 108.396 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 12' ' ' HIS . . . . . 0.561 ' O ' ' N ' ' B' ' 16' ' ' HIS . 17.0 t60 -62.38 -47.47 84.01 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.063 -1.023 . . . . 0.0 110.182 179.282 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 28.3 tp10 -59.94 -41.79 92.58 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.019 -1.051 . . . . 0.0 110.711 -179.141 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 26.3 mtpp -60.49 -36.16 77.64 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.47 -0.769 . . . . 0.0 112.456 -178.571 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -136.22 -3.91 2.17 Favored 'General case' 0 N--CA 1.506 2.367 0 O-C-N 120.936 -1.103 . . . . 0.0 112.528 -176.845 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.561 ' N ' ' O ' ' B' ' 12' ' ' HIS . 90.4 m-70 56.07 47.77 19.02 Favored 'General case' 0 N--CA 1.498 1.966 0 N-CA-C 107.605 -1.257 . . . . 0.0 107.605 -177.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 78.2 p -66.63 155.15 38.68 Favored 'General case' 0 C--N 1.302 -1.494 0 C-N-CA 119.923 -0.711 . . . . 0.0 110.48 -178.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -74.43 157.56 35.41 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.516 -0.74 . . . . 0.0 109.17 179.306 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 37.1 p-90 -56.38 -30.87 63.24 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.139 -0.976 . . . . 0.0 110.203 -179.618 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 87.6 mtm180 -62.53 -39.6 94.11 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.831 -1.168 . . . . 0.0 109.92 -179.728 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.01 -49.52 50.62 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.322 -0.861 . . . . 0.0 109.312 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 77.8 mtm -59.32 -40.38 86.09 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.363 -0.836 . . . . 0.0 109.551 -179.7 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.485 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -57.5 -47.57 81.58 Favored 'General case' 0 C--N 1.3 -1.577 0 C-N-CA 118.897 -1.121 . . . . 0.0 109.358 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 47.9 t -70.18 -35.53 74.04 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.592 -0.693 . . . . 0.0 110.797 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -60.71 -41.05 94.44 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.153 -0.967 . . . . 0.0 110.257 -178.51 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -111.62 -1.28 15.8 Favored 'General case' 0 N--CA 1.503 2.202 0 O-C-N 121.546 -0.721 . . . . 0.0 110.277 -179.748 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.485 ' N ' ' O ' ' B' ' 23' ' ' ALA . 39.7 t30 59.94 46.77 10.69 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.049 -1.032 . . . . 0.0 109.234 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 81.6 mt -109.94 152.44 43.02 Favored Pre-proline 0 N--CA 1.497 1.897 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -60.51 159.91 25.96 Favored 'Trans proline' 0 C--N 1.313 -1.33 0 C-N-CA 121.197 1.264 . . . . 0.0 111.043 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_endo -55.77 -35.65 93.86 Favored 'Trans proline' 0 C--N 1.302 -1.901 0 C-N-CA 122.603 2.202 . . . . 0.0 110.919 -179.359 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 34.1 t -54.86 -48.43 74.09 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.631 0 O-C-N 121.302 -0.874 . . . . 0.0 110.094 -179.574 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 60.0 t -68.87 -46.63 78.89 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.639 0 C-N-CA 118.274 -1.37 . . . . 0.0 109.53 -179.279 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.65 -45.66 82.12 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.165 -0.959 . . . . 0.0 109.758 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 25.8 mtpp -61.71 -34.04 75.09 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.935 -1.103 . . . . 0.0 110.259 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.1 tm-20 -64.03 -39.63 94.52 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.945 -1.097 . . . . 0.0 110.267 -179.445 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 62.6 mt -59.54 -39.77 80.21 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.347 0 O-C-N 120.892 -1.13 . . . . 0.0 108.405 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 90.1 t -64.61 -39.48 85.77 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.565 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 178.786 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.91 -32.52 70.83 Favored 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.292 179.434 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 14.9 m -79.74 -27.58 40.53 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.033 -1.042 . . . . 0.0 109.581 -179.532 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 42.7 t -81.32 102.7 10.59 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.056 -1.028 . . . . 0.0 109.022 179.756 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -61.89 -29.09 69.97 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.734 -0.604 . . . . 0.0 110.306 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -68.98 -39.57 79.32 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.816 -1.177 . . . . 0.0 109.904 -178.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 64.0 m -85.73 -22.76 27.63 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.195 -0.94 . . . . 0.0 109.483 179.561 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -73.01 -73.59 0.2 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.074 -1.016 . . . . 0.0 109.237 -179.689 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 31.7 mt -81.73 111.97 18.47 Favored 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 179.186 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 53.4 tttp -88.81 -75.38 0.43 Allowed 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.32 -0.863 . . . . 0.0 109.561 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -95.62 124.89 8.18 Favored Glycine 0 N--CA 1.495 2.6 0 N-CA-C 110.342 -1.103 . . . . 0.0 110.342 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -87.28 139.96 30.02 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.268 -1.137 . . . . 0.0 108.103 178.57 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.05 149.75 29.11 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 120.919 -1.113 . . . . 0.0 110.34 -179.057 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 1.7 mmm -179.02 154.93 0.71 Allowed 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.609 -0.682 . . . . 0.0 109.161 -179.407 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 41.9 m-70 49.02 -100.81 0.08 Allowed 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.165 -0.959 . . . . 0.0 110.237 179.042 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 84.99 -73.19 2.67 Favored Glycine 0 N--CA 1.49 2.242 0 N-CA-C 109.758 -1.337 . . . . 0.0 109.758 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 53' ' ' GLN . . . . . 0.4 ' O ' ' CG2' ' B' ' 54' ' ' VAL . 84.7 mt-30 -96.7 143.65 27.45 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.089 -1.242 . . . . 0.0 109.602 -179.484 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.4 ' CG2' ' O ' ' B' ' 53' ' ' GLN . 29.8 m 42.79 -153.11 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.858 0 O-C-N 121.171 -0.956 . . . . 0.0 110.372 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 60.8 t0 . . . . . 0 N--CA 1.491 1.625 0 CA-C-O 118.143 -0.932 . . . . 0.0 109.727 179.919 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 . . . . . 0 N--CA 1.49 1.558 0 CA-C-O 121.313 0.578 . . . . 0.0 109.802 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 16.1 mt -73.37 -41.12 63.79 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.428 -0.795 . . . . 0.0 111.488 -178.434 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -65.33 -42.45 92.9 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 120.562 -1.336 . . . . 0.0 110.638 -178.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.95 -48.6 47.03 Favored Glycine 0 N--CA 1.491 2.334 0 N-CA-C 109.917 -1.273 . . . . 0.0 109.917 -179.487 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.498 HD11 HG11 ' B' ' 31' ' ' VAL . 83.8 mt -59.76 -38.45 76.04 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.625 0 O-C-N 121.455 -1.026 . . . . 0.0 110.256 -179.855 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -55.43 -45.17 76.78 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 120.854 -1.154 . . . . 0.0 109.129 -179.215 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -69.54 -43.25 73.36 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.998 -1.064 . . . . 0.0 109.154 178.679 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.06 -37.84 84.74 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.558 -0.714 . . . . 0.0 109.866 179.775 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.417 ' N ' ' O ' ' A' ' 5' ' ' ILE . 61.3 tt0 -56.38 -40.64 74.93 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.273 -0.892 . . . . 0.0 109.244 -179.617 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 66.4 tt0 -61.17 -43.74 98.41 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.167 -0.958 . . . . 0.0 108.882 179.335 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 23.5 tp10 -60.55 -39.82 89.32 Favored 'General case' 0 C--N 1.306 -1.321 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.559 ' O ' ' N ' ' A' ' 16' ' ' HIS . 17.9 t60 -61.59 -48.08 82.55 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.179 -0.951 . . . . 0.0 109.753 179.594 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 34.7 tp10 -60.44 -41.07 93.27 Favored 'General case' 0 C--N 1.296 -1.744 0 O-C-N 121.188 -0.945 . . . . 0.0 110.365 -179.113 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -62.75 -31.25 72.16 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.333 -0.854 . . . . 0.0 112.677 -178.287 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -140.06 -4.17 1.36 Allowed 'General case' 0 N--CA 1.51 2.533 0 O-C-N 120.539 -1.351 . . . . 0.0 111.935 -177.557 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.559 ' N ' ' O ' ' A' ' 12' ' ' HIS . 88.2 m-70 54.97 43.12 30.39 Favored 'General case' 0 N--CA 1.495 1.796 0 N-CA-C 107.349 -1.352 . . . . 0.0 107.349 -177.255 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 90.9 p -64.29 157.27 26.49 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.579 -0.701 . . . . 0.0 110.707 -178.463 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -73.36 159.92 32.59 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.406 -0.809 . . . . 0.0 109.318 179.707 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.411 ' CD1' ' HD3' ' A' ' 34' ' ' LYS . 36.5 p-90 -57.36 -29.39 63.98 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.182 -0.949 . . . . 0.0 109.851 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -63.97 -40.04 95.5 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.018 -1.051 . . . . 0.0 109.822 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.49 -49.63 58.28 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.145 -0.972 . . . . 0.0 109.267 -179.709 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 78.9 mtm -60.2 -41.02 92.1 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.228 -0.92 . . . . 0.0 109.5 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.521 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -56.76 -46.7 81.28 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.186 -0.946 . . . . 0.0 109.608 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 7.7 t -69.8 -37.32 76.26 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.171 -0.956 . . . . 0.0 110.565 -179.692 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -60.36 -39.98 89.11 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.266 -0.896 . . . . 0.0 110.435 -178.774 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -111.05 0.9 17.09 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.432 -0.793 . . . . 0.0 109.765 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.521 ' N ' ' O ' ' A' ' 23' ' ' ALA . 79.5 m-20 55.01 47.16 22.72 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.593 -0.692 . . . . 0.0 109.969 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 45.1 mt -112.6 151.69 44.1 Favored Pre-proline 0 N--CA 1.503 2.201 0 O-C-N 121.226 -0.922 . . . . 0.0 108.873 179.644 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -58.78 162.14 13.7 Favored 'Trans proline' 0 C--N 1.312 -1.345 0 C-N-CA 121.431 1.421 . . . . 0.0 111.41 179.655 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -56.7 -29.54 80.51 Favored 'Trans proline' 0 C--N 1.304 -1.77 0 C-N-CA 122.412 2.075 . . . . 0.0 111.408 179.482 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.506 HG11 HD11 ' B' ' 5' ' ' ILE . 95.4 t -57.56 -49.33 80.82 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.611 0 O-C-N 121.117 -0.989 . . . . 0.0 109.659 -178.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 59.4 t -68.48 -47.72 75.92 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.914 0 C-N-CA 118.937 -1.105 . . . . 0.0 108.841 -179.617 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.54 -44.53 86.59 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.423 -0.798 . . . . 0.0 110.436 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.411 ' HD3' ' CD1' ' A' ' 19' ' ' TRP . 19.8 mmmt -62.74 -35.66 80.5 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.811 -1.181 . . . . 0.0 109.646 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.5 tm-20 -61.72 -40.05 93.68 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.283 -0.886 . . . . 0.0 110.203 -178.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 26.8 mt -60.12 -40.22 82.76 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 120.787 -1.196 . . . . 0.0 108.67 179.458 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 69.0 t -62.98 -39.6 85.8 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 121.268 -0.895 . . . . 0.0 109.241 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.21 -33.46 72.28 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.392 -0.817 . . . . 0.0 110.25 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 52.5 m -77.68 -27.54 50.82 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.289 -0.882 . . . . 0.0 110.164 -178.784 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 44.3 t -79.62 104.51 10.27 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.183 -0.948 . . . . 0.0 109.236 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -60.12 -31.37 69.99 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.327 -0.858 . . . . 0.0 110.587 -179.499 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -69.27 -43.34 74.12 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.949 -1.095 . . . . 0.0 110.653 -179.114 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 88.3 m -84.42 -32.39 24.13 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.92 -1.113 . . . . 0.0 110.269 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -68.81 -51.62 38.83 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.07 -1.019 . . . . 0.0 111.066 -178.587 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 67.7 mt -87.38 54.87 3.3 Favored 'General case' 0 N--CA 1.494 1.737 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 18.1 ptmt -82.49 150.75 26.83 Favored 'General case' 0 C--N 1.294 -1.811 0 O-C-N 121.508 -0.745 . . . . 0.0 110.197 -178.677 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.66 -178.9 52.41 Favored Glycine 0 N--CA 1.49 2.254 0 N-CA-C 109.731 -1.347 . . . . 0.0 109.731 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.8 mp0 -93.1 135.33 34.39 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.382 -1.069 . . . . 0.0 109.692 179.789 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.406 ' HB3' ' SD ' ' B' ' 50' ' ' MET . . . -81.7 -127.2 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.265 -0.897 . . . . 0.0 109.126 179.589 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.511 ' N ' ' SD ' ' A' ' 50' ' ' MET . 0.0 OUTLIER -55.66 -83.19 0.01 OUTLIER 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.517 -0.74 . . . . 0.0 109.364 179.629 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.405 ' O ' ' CG ' ' A' ' 51' ' ' HIS . 33.0 t60 42.65 54.72 4.46 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.429 -0.794 . . . . 0.0 109.498 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -175.36 68.46 0.09 OUTLIER Glycine 0 N--CA 1.487 2.09 0 C-N-CA 119.566 -1.302 . . . . 0.0 109.914 -179.545 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.49 ' HG2' ' H ' ' A' ' 54' ' ' VAL . 17.9 tt0 -165.67 -174.74 3.21 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.285 -1.127 . . . . 0.0 108.345 179.705 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.549 HG12 ' N ' ' A' ' 55' ' ' ASP . 56.2 t 56.98 166.56 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 121.33 -0.856 . . . . 0.0 109.492 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.549 ' N ' HG12 ' A' ' 54' ' ' VAL . 71.5 m-20 . . . . . 0 C--N 1.303 -1.419 0 CA-C-O 117.87 -1.062 . . . . 0.0 108.94 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 . . . . . 0 N--CA 1.49 1.543 0 CA-C-O 121.366 0.603 . . . . 0.0 109.923 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 16.5 mt -74.03 -40.32 62.94 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.468 -0.77 . . . . 0.0 111.499 -178.107 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -65.99 -42.11 90.21 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.634 -1.291 . . . . 0.0 110.674 -178.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.71 -47.81 46.37 Favored Glycine 0 N--CA 1.489 2.19 0 N-CA-C 109.671 -1.372 . . . . 0.0 109.671 -179.65 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.506 HD11 HG11 ' A' ' 31' ' ' VAL . 90.1 mt -60.01 -38.83 78.31 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.526 0 O-C-N 121.425 -1.044 . . . . 0.0 110.274 -179.651 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -55.41 -46.36 76.64 Favored 'General case' 0 C--N 1.296 -1.723 0 O-C-N 120.77 -1.206 . . . . 0.0 109.13 -179.371 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -69.06 -42.26 76.51 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.949 -1.095 . . . . 0.0 108.929 178.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.43 -36.94 82.24 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.402 -0.811 . . . . 0.0 109.893 179.615 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 9' ' ' GLN . . . . . 0.429 ' N ' ' O ' ' B' ' 5' ' ' ILE . 61.0 tt0 -57.58 -40.45 79.03 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.439 -0.788 . . . . 0.0 109.118 -179.3 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 69.2 tt0 -61.12 -43.7 98.48 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.27 -0.894 . . . . 0.0 108.861 179.238 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 25.7 tp10 -60.43 -40.95 92.9 Favored 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 179.634 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 12' ' ' HIS . . . . . 0.565 ' O ' ' N ' ' B' ' 16' ' ' HIS . 17.4 t60 -60.98 -46.16 91.87 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.249 -0.907 . . . . 0.0 110.246 179.77 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 34.2 tp10 -61.97 -41.31 97.87 Favored 'General case' 0 C--N 1.298 -1.647 0 O-C-N 121.072 -1.017 . . . . 0.0 110.284 -179.296 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 57.1 mtpt -62.62 -31.63 72.51 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.562 -0.711 . . . . 0.0 112.615 -178.014 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -139.11 -6.38 1.41 Allowed 'General case' 0 N--CA 1.506 2.359 0 O-C-N 120.576 -1.328 . . . . 0.0 111.934 -177.567 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.565 ' N ' ' O ' ' B' ' 12' ' ' HIS . 87.7 m-70 56.52 44.2 24.53 Favored 'General case' 0 N--CA 1.497 1.919 0 N-CA-C 107.075 -1.454 . . . . 0.0 107.075 -177.051 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 91.0 p -65.26 157.0 30.17 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.595 -0.691 . . . . 0.0 110.676 -178.451 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -73.75 159.04 33.53 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.473 -0.767 . . . . 0.0 109.044 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 42.3 p-90 -56.53 -29.43 61.89 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.066 -1.021 . . . . 0.0 110.257 -179.423 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -63.86 -39.91 95.32 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.946 -1.096 . . . . 0.0 110.225 -179.583 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.64 -49.49 58.76 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.304 -0.872 . . . . 0.0 109.163 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 78.6 mtm -60.35 -40.12 89.58 Favored 'General case' 0 C--N 1.301 -1.505 0 C-N-CA 119.371 -0.932 . . . . 0.0 109.5 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.504 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -58.14 -45.65 87.01 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.246 -0.909 . . . . 0.0 109.454 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 7.6 t -70.56 -37.04 73.96 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.445 -0.784 . . . . 0.0 110.536 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -61.23 -40.25 93.3 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.052 -1.03 . . . . 0.0 110.132 -178.674 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -110.16 1.6 18.87 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.587 -0.696 . . . . 0.0 109.527 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.504 ' N ' ' O ' ' B' ' 23' ' ' ALA . 78.7 m-20 54.16 48.34 21.15 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.376 -0.827 . . . . 0.0 109.86 179.645 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 47.2 mt -113.57 152.75 45.66 Favored Pre-proline 0 N--CA 1.503 2.195 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -59.72 162.25 16.08 Favored 'Trans proline' 0 C--N 1.312 -1.379 0 C-N-CA 121.349 1.366 . . . . 0.0 111.115 179.567 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_endo -56.88 -29.93 83.62 Favored 'Trans proline' 0 C--N 1.302 -1.915 0 C-N-CA 122.461 2.107 . . . . 0.0 111.628 179.393 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.498 HG11 HD11 ' A' ' 5' ' ' ILE . 96.1 t -57.13 -47.88 83.04 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.572 0 O-C-N 121.228 -0.92 . . . . 0.0 109.861 -179.419 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 57.3 t -70.01 -48.38 63.18 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.801 0 C-N-CA 118.591 -1.244 . . . . 0.0 108.959 -179.645 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.09 -43.53 91.82 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.393 -0.817 . . . . 0.0 110.653 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 19.9 mmmt -62.97 -36.13 82.47 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.739 -1.226 . . . . 0.0 109.719 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.4 tm-20 -61.21 -40.06 92.54 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.385 -0.822 . . . . 0.0 110.101 -179.064 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 23.3 mt -60.38 -40.01 82.72 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 120.774 -1.204 . . . . 0.0 108.576 179.445 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 63.1 t -63.4 -38.83 83.22 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 121.272 -0.892 . . . . 0.0 109.242 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.1 -34.7 75.36 Favored 'General case' 0 C--N 1.298 -1.653 0 O-C-N 121.445 -0.784 . . . . 0.0 110.223 -179.744 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 56.7 m -76.11 -27.6 57.17 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.304 -0.873 . . . . 0.0 110.18 -179.117 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 44.0 t -80.37 104.56 11.0 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.118 -0.989 . . . . 0.0 109.56 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 80.9 m-20 -60.11 -31.77 70.37 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.454 -0.779 . . . . 0.0 110.829 -179.657 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -68.74 -42.53 77.45 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.756 -1.215 . . . . 0.0 110.138 -179.148 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 84.6 m -85.44 -31.89 22.6 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.94 -1.1 . . . . 0.0 110.549 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -69.53 -52.08 29.65 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.047 -1.033 . . . . 0.0 110.754 -178.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 65.9 mt -86.83 55.75 3.7 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.337 -0.852 . . . . 0.0 108.706 179.747 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 17.8 ptmt -83.69 150.58 25.77 Favored 'General case' 0 C--N 1.296 -1.744 0 CA-C-O 121.435 0.636 . . . . 0.0 110.037 -178.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 84.68 -175.76 50.77 Favored Glycine 0 N--CA 1.493 2.485 0 N-CA-C 109.713 -1.355 . . . . 0.0 109.713 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 6.9 mp0 -97.58 134.85 40.25 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.4 -1.059 . . . . 0.0 109.133 179.698 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.75 -123.77 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.725 0 O-C-N 120.977 -1.077 . . . . 0.0 109.519 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 50' ' ' MET . . . . . 0.466 ' SD ' ' N ' ' B' ' 50' ' ' MET . 0.0 OUTLIER -58.74 -83.53 0.01 OUTLIER 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.33 -0.856 . . . . 0.0 108.911 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 51' ' ' HIS . . . . . 0.415 ' C ' ' O ' ' B' ' 50' ' ' MET . 31.3 t60 42.15 56.34 3.63 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.507 -0.745 . . . . 0.0 109.527 -179.77 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -175.43 65.78 0.1 OUTLIER Glycine 0 N--CA 1.487 2.053 0 C-N-CA 119.505 -1.331 . . . . 0.0 110.125 -179.354 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 53' ' ' GLN . . . . . 0.481 ' HG2' ' H ' ' B' ' 54' ' ' VAL . 19.4 tt0 -165.17 -175.58 3.72 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.223 -1.163 . . . . 0.0 108.462 -179.82 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.543 HG12 ' N ' ' B' ' 55' ' ' ASP . 48.4 t 58.76 166.92 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 O-C-N 121.304 -0.872 . . . . 0.0 109.416 -179.836 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.543 ' N ' HG12 ' B' ' 54' ' ' VAL . 73.2 m-20 . . . . . 0 C--N 1.305 -1.341 0 CA-C-O 118.189 -0.91 . . . . 0.0 109.262 -179.231 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.442 ' O ' HD12 ' A' ' 5' ' ' ILE . 64.0 m-85 . . . . . 0 N--CA 1.492 1.63 0 CA-C-O 121.04 0.448 . . . . 0.0 110.289 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 40.4 mt -74.55 -19.59 60.28 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.078 -1.014 . . . . 0.0 111.532 -178.161 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.509 ' OD1' ' N ' ' A' ' 4' ' ' GLY . 31.5 p-10 -67.94 -61.35 1.91 Allowed 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.83 -1.169 . . . . 0.0 111.367 -178.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.509 ' N ' ' OD1' ' A' ' 3' ' ' ASP . . . -63.36 -41.57 99.4 Favored Glycine 0 N--CA 1.493 2.475 0 C-N-CA 119.881 -1.152 . . . . 0.0 110.275 -179.116 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.461 ' O ' ' N ' ' A' ' 9' ' ' GLN . 97.0 mt -59.04 -40.53 80.96 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.547 0 O-C-N 121.134 -1.215 . . . . 0.0 110.702 -179.399 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 60.9 t0 -55.6 -47.81 75.88 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.831 -1.168 . . . . 0.0 109.055 -179.455 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 7.3 tmtt? -68.98 -47.75 64.8 Favored 'General case' 0 C--N 1.298 -1.661 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 179.295 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.93 -33.37 74.15 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.259 -0.901 . . . . 0.0 110.184 179.764 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.461 ' N ' ' O ' ' A' ' 5' ' ' ILE . 58.6 tt0 -59.14 -39.82 83.59 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.12 -0.988 . . . . 0.0 109.028 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -60.02 -42.27 93.96 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.435 -0.791 . . . . 0.0 109.052 179.151 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.7 tm-20 -60.02 -40.21 88.49 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.232 -0.918 . . . . 0.0 109.277 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.52 ' O ' ' N ' ' A' ' 16' ' ' HIS . 13.9 t60 -63.04 -43.85 97.51 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.104 -0.997 . . . . 0.0 109.896 179.492 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 -61.44 -43.26 99.18 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.247 -0.908 . . . . 0.0 110.145 -179.475 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 52.3 mtpt -62.02 -35.82 79.7 Favored 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 112.689 0.626 . . . . 0.0 112.689 -178.174 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -135.4 -4.56 2.33 Favored 'General case' 0 N--CA 1.506 2.349 0 O-C-N 120.765 -1.21 . . . . 0.0 112.87 -176.667 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.52 ' N ' ' O ' ' A' ' 12' ' ' HIS . 89.3 m-70 55.65 40.73 30.97 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 120.622 -1.299 . . . . 0.0 107.523 -177.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 78.8 p -60.52 156.82 15.46 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.535 -0.728 . . . . 0.0 110.766 -178.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 -73.64 156.45 37.99 Favored 'General case' 0 N--CA 1.49 1.572 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 179.251 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 44.8 p-90 -57.89 -30.19 65.66 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.104 -0.998 . . . . 0.0 110.211 -179.58 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -62.41 -40.2 95.77 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.845 -1.159 . . . . 0.0 109.524 179.71 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.29 -49.48 55.57 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.52 -0.738 . . . . 0.0 109.448 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 77.4 mtm -60.19 -40.37 89.81 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.025 -1.047 . . . . 0.0 109.43 178.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.421 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -57.29 -49.2 76.82 Favored 'General case' 0 C--N 1.303 -1.435 0 C-N-CA 119.171 -1.012 . . . . 0.0 108.764 -179.562 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 42.1 m -70.42 -34.05 72.06 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.665 -0.647 . . . . 0.0 110.389 179.771 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 84.4 m-20 -60.02 -42.03 93.44 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.963 -1.086 . . . . 0.0 109.941 -178.781 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -110.78 1.8 18.0 Favored 'General case' 0 N--CA 1.504 2.235 0 O-C-N 121.283 -0.886 . . . . 0.0 110.77 -179.633 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.421 ' N ' ' O ' ' A' ' 23' ' ' ALA . 56.2 m-20 58.89 48.61 10.86 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.282 -0.886 . . . . 0.0 109.758 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 80.8 mt -114.07 150.56 43.78 Favored Pre-proline 0 N--CA 1.503 2.205 0 O-C-N 121.475 -0.765 . . . . 0.0 108.974 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -60.35 160.69 22.54 Favored 'Trans proline' 0 N--CA 1.488 1.198 0 C-N-CA 121.753 1.635 . . . . 0.0 111.599 179.776 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -55.23 -36.2 92.86 Favored 'Trans proline' 0 C--N 1.308 -1.578 0 C-N-CA 122.858 2.372 . . . . 0.0 112.31 -179.05 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 98.4 t -56.71 -46.73 83.14 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.649 0 O-C-N 121.133 -0.979 . . . . 0.0 109.41 -179.127 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 60.8 t -68.14 -50.08 61.6 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.788 0 C-N-CA 118.169 -1.413 . . . . 0.0 109.629 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.07 -47.93 80.82 Favored 'General case' 0 C--N 1.298 -1.647 0 O-C-N 121.337 -0.852 . . . . 0.0 110.11 -179.694 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -62.11 -35.9 80.11 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.706 -1.246 . . . . 0.0 110.399 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.3 tm-20 -60.43 -39.55 87.87 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.115 -0.991 . . . . 0.0 109.696 -179.042 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 73.9 mt -60.48 -40.36 84.05 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.391 0 O-C-N 120.718 -1.239 . . . . 0.0 109.165 179.698 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 90.8 t -63.43 -39.06 83.88 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.398 0 N-CA-C 108.601 -0.889 . . . . 0.0 108.601 178.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.83 -31.81 71.21 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.569 -0.707 . . . . 0.0 109.441 179.65 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 26.7 m -78.39 -24.72 46.15 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.204 -0.935 . . . . 0.0 109.406 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 43.4 t -82.64 102.2 11.31 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.285 -0.885 . . . . 0.0 109.124 179.463 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 81.7 m-20 -59.67 -30.41 68.74 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.513 -0.742 . . . . 0.0 110.514 -179.554 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 59.6 mttp -69.95 -41.28 74.75 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.94 -1.1 . . . . 0.0 110.886 -178.715 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 92.8 m -87.03 -19.21 28.98 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 120.912 -1.118 . . . . 0.0 110.192 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -74.27 -61.5 1.84 Allowed 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.182 -0.949 . . . . 0.0 110.929 -178.166 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 89.2 mt -82.18 61.62 5.52 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.078 -1.014 . . . . 0.0 110.097 -178.855 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.434 ' C ' ' H ' ' A' ' 48' ' ' GLU . 22.6 tptm -93.97 118.76 31.94 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.498 -0.751 . . . . 0.0 109.412 179.292 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 68.89 -9.55 1.93 Allowed Glycine 0 N--CA 1.493 2.44 0 N-CA-C 110.305 -1.118 . . . . 0.0 110.305 179.114 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.491 ' O ' ' HB2' ' A' ' 49' ' ' ALA . 71.4 mm-40 -84.54 132.22 34.55 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.176 -1.191 . . . . 0.0 109.553 -179.571 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.491 ' HB2' ' O ' ' A' ' 48' ' ' GLU . . . 176.71 143.49 0.08 Allowed 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.082 -1.011 . . . . 0.0 110.114 179.646 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.456 ' SD ' ' N ' ' A' ' 52' ' ' GLY . 0.9 OUTLIER -90.82 137.58 32.25 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.34 -0.85 . . . . 0.0 109.065 179.29 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.521 ' CG ' ' O ' ' A' ' 51' ' ' HIS . 46.4 p-80 -132.13 76.97 1.73 Allowed 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.441 -0.787 . . . . 0.0 109.158 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.456 ' N ' ' SD ' ' A' ' 50' ' ' MET . . . -72.42 -176.49 28.68 Favored Glycine 0 N--CA 1.492 2.37 0 N-CA-C 109.354 -1.498 . . . . 0.0 109.354 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.432 ' O ' ' O ' ' A' ' 54' ' ' VAL . 13.8 pt20 -85.35 133.73 34.12 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.131 -1.217 . . . . 0.0 109.126 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.432 ' O ' ' O ' ' A' ' 53' ' ' GLN . 10.5 t 57.55 161.18 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 O-C-N 121.42 -0.8 . . . . 0.0 109.322 -179.423 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.405 ' N ' HG12 ' A' ' 54' ' ' VAL . 46.6 t0 . . . . . 0 N--CA 1.493 1.691 0 CA-C-O 118.03 -0.986 . . . . 0.0 109.711 -179.413 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 1' ' ' PHE . . . . . 0.466 ' O ' HD12 ' B' ' 5' ' ' ILE . 62.4 m-85 . . . . . 0 N--CA 1.495 1.798 0 CA-C-O 121.284 0.564 . . . . 0.0 109.871 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 40.1 mt -74.72 -19.64 60.16 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.148 -0.97 . . . . 0.0 111.025 -178.597 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 3' ' ' ASP . . . . . 0.491 ' N ' ' OD1' ' B' ' 3' ' ' ASP . 27.7 p-10 -67.76 -62.17 1.54 Allowed 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.625 -1.297 . . . . 0.0 111.448 -178.869 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 4' ' ' GLY . . . . . 0.468 ' H ' ' CG ' ' B' ' 3' ' ' ASP . . . -62.82 -41.27 99.89 Favored Glycine 0 N--CA 1.494 2.545 0 N-CA-C 110.098 -1.201 . . . . 0.0 110.098 -179.092 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.466 HD12 ' O ' ' B' ' 1' ' ' PHE . 97.2 mt -59.43 -39.8 80.08 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.604 0 O-C-N 121.402 -1.058 . . . . 0.0 111.101 -179.309 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 61.1 t0 -56.93 -47.37 80.76 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.531 -1.356 . . . . 0.0 108.748 -179.701 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 6.9 tmtt? -68.73 -48.34 64.04 Favored 'General case' 0 C--N 1.3 -1.562 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 179.033 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.01 -34.56 75.02 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.284 -0.885 . . . . 0.0 110.019 179.707 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 9' ' ' GLN . . . . . 0.461 ' N ' ' O ' ' B' ' 5' ' ' ILE . 55.0 tt0 -57.93 -40.45 80.48 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.035 -1.041 . . . . 0.0 109.176 -179.643 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -60.21 -41.13 92.37 Favored 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 119.357 -0.937 . . . . 0.0 109.205 179.548 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 14.3 tm-20 -60.03 -40.99 91.23 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.163 -0.961 . . . . 0.0 109.024 179.562 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 12' ' ' HIS . . . . . 0.555 ' O ' ' N ' ' B' ' 16' ' ' HIS . 14.6 t60 -62.3 -43.46 98.77 Favored 'General case' 0 C--N 1.304 -1.398 0 C-N-CA 119.344 -0.942 . . . . 0.0 110.024 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -61.65 -43.34 99.05 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.187 -0.946 . . . . 0.0 110.411 -179.627 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 54.0 mtpt -62.31 -34.97 77.64 Favored 'General case' 0 C--N 1.296 -1.722 0 O-C-N 121.554 -0.716 . . . . 0.0 112.749 -178.12 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 -136.21 -3.29 2.21 Favored 'General case' 0 N--CA 1.505 2.323 0 O-C-N 120.975 -1.078 . . . . 0.0 112.684 -176.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.555 ' N ' ' O ' ' B' ' 12' ' ' HIS . 88.4 m-70 54.12 41.38 32.04 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.56 -1.338 . . . . 0.0 107.396 -177.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 84.1 p -60.65 158.2 13.04 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.499 -0.751 . . . . 0.0 110.585 -178.777 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -74.59 156.72 36.48 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 179.255 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 42.2 p-90 -58.18 -29.89 65.98 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.943 -1.098 . . . . 0.0 110.289 -179.619 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -62.88 -39.72 95.3 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.778 -1.201 . . . . 0.0 109.648 179.64 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.28 -48.92 60.32 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.494 -0.753 . . . . 0.0 109.468 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 78.1 mtm -60.45 -40.18 90.23 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.055 -1.028 . . . . 0.0 109.063 179.184 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.423 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -57.49 -49.62 75.71 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 119.432 -0.907 . . . . 0.0 108.991 -179.849 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 47.1 m -70.81 -32.61 69.73 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.46 -0.775 . . . . 0.0 110.399 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -61.22 -41.6 97.14 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.975 -1.078 . . . . 0.0 110.411 -178.829 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -111.5 1.99 17.2 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.533 -0.729 . . . . 0.0 110.579 -179.536 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.423 ' N ' ' O ' ' B' ' 23' ' ' ALA . 61.0 m-20 58.48 49.85 10.09 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.389 -0.82 . . . . 0.0 109.717 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 80.0 mt -114.47 150.89 44.59 Favored Pre-proline 0 N--CA 1.501 2.08 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 179.626 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_endo -61.29 160.49 26.77 Favored 'Trans proline' 0 N--CA 1.491 1.364 0 C-N-CA 121.713 1.609 . . . . 0.0 111.589 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_endo -55.06 -35.66 90.92 Favored 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.845 2.363 . . . . 0.0 112.536 -179.055 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 88.2 t -56.92 -47.45 83.17 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.749 0 O-C-N 120.936 -1.102 . . . . 0.0 109.377 -179.372 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 59.5 t -67.46 -50.89 57.67 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.867 0 C-N-CA 118.108 -1.437 . . . . 0.0 109.715 -179.661 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.45 -46.78 86.96 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.179 -0.95 . . . . 0.0 110.544 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -62.68 -36.71 83.8 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.783 -1.198 . . . . 0.0 110.344 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 13.5 tm-20 -59.79 -39.47 85.07 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.035 -1.041 . . . . 0.0 109.822 -178.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 77.0 mt -60.46 -40.37 84.02 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.471 0 O-C-N 120.812 -1.18 . . . . 0.0 109.167 179.709 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 90.8 t -63.62 -39.23 84.57 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.546 0 N-CA-C 108.55 -0.908 . . . . 0.0 108.55 179.108 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.32 -31.95 70.77 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.273 -0.892 . . . . 0.0 109.286 179.576 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 31.5 m -78.06 -24.15 47.81 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.242 -0.911 . . . . 0.0 109.593 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 42.0 t -83.45 102.09 11.83 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.272 -0.893 . . . . 0.0 108.797 179.358 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -60.02 -29.24 68.37 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.452 -0.78 . . . . 0.0 110.349 -179.295 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 60.7 mttp -70.92 -40.66 71.98 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.911 -1.118 . . . . 0.0 110.807 -178.759 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 93.6 m -87.36 -19.13 28.59 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 120.839 -1.163 . . . . 0.0 109.906 179.776 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -73.99 -62.99 1.31 Allowed 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.101 -0.999 . . . . 0.0 111.008 -178.256 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 89.3 mt -81.09 62.51 5.08 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.118 -0.989 . . . . 0.0 109.955 -179.108 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 46' ' ' LYS . . . . . 0.405 ' C ' ' H ' ' B' ' 48' ' ' GLU . 23.1 tptm -95.1 117.53 30.36 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.477 -0.765 . . . . 0.0 109.12 179.45 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 69.29 -8.19 3.0 Favored Glycine 0 N--CA 1.491 2.316 0 N-CA-C 110.268 -1.133 . . . . 0.0 110.268 179.538 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 48' ' ' GLU . . . . . 0.465 ' O ' ' HB2' ' B' ' 49' ' ' ALA . 74.8 mm-40 -85.98 130.18 34.62 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.96 -1.318 . . . . 0.0 109.913 -179.416 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 49' ' ' ALA . . . . . 0.465 ' HB2' ' O ' ' B' ' 48' ' ' GLU . . . 178.09 146.04 0.13 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.994 -1.066 . . . . 0.0 110.281 179.779 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 50' ' ' MET . . . . . 0.44 ' SD ' ' N ' ' B' ' 52' ' ' GLY . 0.9 OUTLIER -92.82 136.44 33.24 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.514 -0.741 . . . . 0.0 109.136 179.167 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 51' ' ' HIS . . . . . 0.521 ' O ' ' CG ' ' B' ' 51' ' ' HIS . 45.0 p-80 -130.97 77.08 1.76 Allowed 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.631 -0.668 . . . . 0.0 109.288 -179.81 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 52' ' ' GLY . . . . . 0.44 ' N ' ' SD ' ' B' ' 50' ' ' MET . . . -72.6 -175.79 27.99 Favored Glycine 0 N--CA 1.491 2.348 0 N-CA-C 109.379 -1.488 . . . . 0.0 109.379 -179.85 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 53' ' ' GLN . . . . . 0.434 ' O ' ' O ' ' B' ' 54' ' ' VAL . 13.3 pt20 -85.8 133.61 33.97 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.243 -1.151 . . . . 0.0 108.898 179.481 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.434 ' O ' ' O ' ' B' ' 53' ' ' GLN . 9.6 t 57.78 160.52 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 121.362 -0.837 . . . . 0.0 109.347 -179.55 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 51.0 t0 . . . . . 0 N--CA 1.495 1.805 0 CA-C-O 118.005 -0.998 . . . . 0.0 110.055 -179.265 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.499 ' O ' HD12 ' A' ' 5' ' ' ILE . 67.8 m-85 . . . . . 0 N--CA 1.493 1.693 0 CA-C-O 121.7 0.762 . . . . 0.0 109.987 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 41.6 mt -69.97 -35.83 74.74 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.411 -0.805 . . . . 0.0 111.049 -178.27 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -67.09 -54.2 23.73 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.026 -1.046 . . . . 0.0 110.805 -178.48 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.45 -46.18 94.35 Favored Glycine 0 N--CA 1.49 2.258 0 N-CA-C 109.783 -1.327 . . . . 0.0 109.783 -179.603 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.499 HD12 ' O ' ' A' ' 1' ' ' PHE . 85.7 mt -59.8 -39.86 81.02 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.443 0 O-C-N 121.622 -0.928 . . . . 0.0 110.005 -179.75 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -53.51 -44.8 69.38 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 120.971 -1.081 . . . . 0.0 109.351 -179.245 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -69.46 -42.16 75.27 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.126 -0.984 . . . . 0.0 109.424 179.275 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.46 -37.34 82.78 Favored 'General case' 0 C--N 1.3 -1.567 0 C-N-CA 120.066 -0.654 . . . . 0.0 109.294 179.671 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -56.32 -41.36 75.9 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.527 -0.733 . . . . 0.0 109.1 -179.239 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 27.4 tp10 -61.98 -40.27 95.05 Favored 'General case' 0 C--N 1.305 -1.33 0 C-N-CA 118.931 -1.107 . . . . 0.0 108.605 179.025 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 22.3 tp10 -61.34 -40.42 94.18 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.358 -0.839 . . . . 0.0 109.467 179.489 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.503 ' O ' ' N ' ' A' ' 16' ' ' HIS . 16.3 t60 -62.41 -45.5 92.84 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.243 -0.91 . . . . 0.0 109.666 179.798 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -60.22 -40.5 90.37 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.35 -0.844 . . . . 0.0 110.454 -179.251 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt -63.58 -39.85 95.45 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.522 -0.736 . . . . 0.0 112.884 -178.383 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -132.34 -0.16 3.66 Favored 'General case' 0 N--CA 1.507 2.419 0 O-C-N 121.031 -1.043 . . . . 0.0 112.562 -176.762 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.503 ' N ' ' O ' ' A' ' 12' ' ' HIS . 86.5 m-70 52.65 42.32 31.55 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.37 -1.456 . . . . 0.0 107.417 -177.832 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 79.5 p -62.99 153.86 32.46 Favored 'General case' 0 C--N 1.3 -1.564 0 C-N-CA 120.131 -0.628 . . . . 0.0 110.164 -178.766 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -74.15 161.17 30.26 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.428 -0.795 . . . . 0.0 109.127 179.593 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 39.4 p-90 -58.04 -30.26 66.02 Favored 'General case' 0 N--CA 1.49 1.545 0 C-N-CA 119.829 -0.748 . . . . 0.0 110.514 -179.285 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 84.4 mtm180 -63.89 -40.48 96.62 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.975 -1.078 . . . . 0.0 109.857 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.33 -48.23 62.05 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.439 -0.788 . . . . 0.0 109.521 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 74.5 mtm -61.55 -40.66 95.48 Favored 'General case' 0 C--N 1.297 -1.678 0 O-C-N 121.543 -0.723 . . . . 0.0 109.567 179.755 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.474 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -57.97 -48.03 81.21 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.151 -0.968 . . . . 0.0 109.082 179.795 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 8.6 t -69.72 -36.48 75.92 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.042 -1.036 . . . . 0.0 110.216 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 81.7 m-20 -60.04 -40.38 89.18 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.309 -0.869 . . . . 0.0 110.536 -179.176 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -111.51 3.17 17.85 Favored 'General case' 0 N--CA 1.503 2.206 0 O-C-N 121.315 -0.866 . . . . 0.0 110.077 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.474 ' N ' ' O ' ' A' ' 23' ' ' ALA . 48.9 m-20 55.74 48.08 19.09 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.517 -0.739 . . . . 0.0 109.923 179.453 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 80.4 mt -113.67 151.82 44.93 Favored Pre-proline 0 N--CA 1.5 2.041 0 O-C-N 121.185 -0.947 . . . . 0.0 108.966 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 28.2 Cg_endo -61.97 148.96 92.08 Favored 'Trans proline' 0 N--CA 1.491 1.356 0 C-N-CA 121.501 1.467 . . . . 0.0 111.638 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_exo -41.79 -38.28 4.5 Favored 'Trans proline' 0 C--N 1.312 -1.358 0 C-N-CA 122.16 1.907 . . . . 0.0 111.925 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 77.1 t -52.79 -51.54 35.41 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.705 0 O-C-N 121.366 -0.834 . . . . 0.0 110.367 -178.648 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.423 HG13 HD11 ' A' ' 5' ' ' ILE . 77.0 t -66.02 -47.34 85.44 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.013 0 C-N-CA 118.091 -1.444 . . . . 0.0 109.557 -179.029 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.49 -45.36 83.93 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.244 -0.91 . . . . 0.0 110.31 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 40.2 mtmt -63.3 -36.07 82.46 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 120.778 -1.201 . . . . 0.0 110.758 -179.741 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.2 tm-20 -60.51 -37.86 82.5 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 119.053 -1.059 . . . . 0.0 109.372 -179.112 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 62.8 mt -60.04 -39.91 81.69 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 120.859 -1.151 . . . . 0.0 108.632 179.267 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 92.3 t -63.39 -38.28 81.75 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 179.013 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.54 -32.18 70.09 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.698 -0.627 . . . . 0.0 109.364 179.734 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 59.3 m -79.53 -26.85 41.38 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.133 -0.98 . . . . 0.0 109.279 179.606 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 41.5 t -82.28 102.36 11.13 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.087 -1.008 . . . . 0.0 109.354 179.682 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -60.0 -31.45 69.94 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.518 -0.739 . . . . 0.0 110.427 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -69.23 -43.02 74.89 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.918 -1.114 . . . . 0.0 110.645 -178.793 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 98.9 m -84.96 -19.12 32.61 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.703 -1.248 . . . . 0.0 109.828 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -75.38 -69.82 0.46 Allowed 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.122 -0.986 . . . . 0.0 109.743 -179.414 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 32.0 mt -82.86 85.98 7.01 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 120.917 -1.114 . . . . 0.0 108.309 179.766 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 18.9 tptm -93.73 -17.49 23.12 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.323 -0.86 . . . . 0.0 109.452 -179.682 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 170.0 -14.38 0.06 OUTLIER Glycine 0 N--CA 1.485 1.942 0 N-CA-C 108.703 -1.759 . . . . 0.0 108.703 -179.277 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 79.4 tt0 -70.59 -3.57 18.85 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.263 -1.14 . . . . 0.0 108.073 179.281 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.776 ' HB1' ' H ' ' B' ' 50' ' ' MET . . . -58.91 156.58 11.23 Favored 'General case' 0 N--CA 1.491 1.607 0 CA-C-O 121.746 0.784 . . . . 0.0 109.725 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.764 ' H ' ' HB1' ' B' ' 49' ' ' ALA . 20.4 ttt -55.75 -30.9 62.0 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.439 -0.788 . . . . 0.0 110.038 -179.526 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.657 ' CG ' ' H ' ' A' ' 52' ' ' GLY . 26.4 t60 45.26 -161.8 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.102 -0.998 . . . . 0.0 109.45 179.796 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.657 ' H ' ' CG ' ' A' ' 51' ' ' HIS . . . -179.47 172.63 44.53 Favored Glycine 0 N--CA 1.492 2.388 0 C-N-CA 119.472 -1.347 . . . . 0.0 110.081 179.536 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -153.4 97.56 2.16 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.629 -0.924 . . . . 0.0 108.797 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.575 HG12 ' H ' ' A' ' 55' ' ' ASP . 1.9 t 48.52 -149.26 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.815 0 O-C-N 121.098 -1.001 . . . . 0.0 109.046 -179.574 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.575 ' H ' HG12 ' A' ' 54' ' ' VAL . 96.8 m-20 . . . . . 0 N--CA 1.495 1.788 0 O-C-N 120.867 -1.146 . . . . 0.0 109.692 -179.685 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 1' ' ' PHE . . . . . 0.467 ' O ' HD12 ' B' ' 5' ' ' ILE . 64.7 m-85 . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 121.694 0.759 . . . . 0.0 110.037 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 38.7 mt -70.85 -36.01 72.68 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.446 -0.784 . . . . 0.0 111.362 -177.849 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 51.0 t0 -66.93 -52.42 43.23 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.978 -1.076 . . . . 0.0 111.083 -178.583 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.6 -44.87 94.41 Favored Glycine 0 N--CA 1.49 2.246 0 N-CA-C 109.831 -1.308 . . . . 0.0 109.831 -179.418 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.467 HD12 ' O ' ' B' ' 1' ' ' PHE . 86.9 mt -60.14 -39.53 80.81 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.491 -1.005 . . . . 0.0 109.97 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 61.6 t0 -53.64 -45.12 70.08 Favored 'General case' 0 C--N 1.3 -1.579 0 C-N-CA 119.555 -0.858 . . . . 0.0 109.144 -179.058 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 62.1 mttp -69.48 -42.11 75.26 Favored 'General case' 0 C--N 1.301 -1.531 0 C-N-CA 119.306 -0.958 . . . . 0.0 109.223 179.333 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.61 -36.47 80.91 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.589 -0.694 . . . . 0.0 109.219 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 9' ' ' GLN . . . . . 0.406 ' N ' ' O ' ' B' ' 5' ' ' ILE . 58.3 tt0 -57.31 -41.51 80.04 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.468 -0.77 . . . . 0.0 109.169 -179.451 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 28.9 tp10 -61.87 -40.4 95.25 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.009 -1.057 . . . . 0.0 108.464 178.744 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 21.8 tp10 -61.79 -40.3 94.72 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.478 -0.764 . . . . 0.0 109.613 179.39 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 12' ' ' HIS . . . . . 0.542 ' O ' ' N ' ' B' ' 16' ' ' HIS . 15.8 t60 -62.22 -45.3 93.98 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.117 -0.989 . . . . 0.0 109.575 179.639 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -60.28 -42.13 94.79 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.482 -0.761 . . . . 0.0 110.291 -178.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -62.11 -37.55 85.53 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.488 -0.758 . . . . 0.0 112.945 -178.579 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -134.32 -1.32 2.89 Favored 'General case' 0 N--CA 1.505 2.275 0 O-C-N 121.032 -1.043 . . . . 0.0 113.004 -176.692 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.542 ' N ' ' O ' ' B' ' 12' ' ' HIS . 88.0 m-70 53.43 41.18 32.14 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.443 -1.41 . . . . 0.0 107.524 -177.471 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 79.8 p -62.32 154.37 28.08 Favored 'General case' 0 C--N 1.304 -1.403 0 C-N-CA 119.974 -0.69 . . . . 0.0 110.145 -178.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -74.75 162.94 28.23 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.113 -0.992 . . . . 0.0 109.363 179.787 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 34.4 p-90 -59.29 -29.99 68.0 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.37 -0.831 . . . . 0.0 110.398 -179.479 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 85.1 mtm180 -64.33 -41.23 96.9 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 120.678 -1.264 . . . . 0.0 110.034 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.79 -48.97 62.31 Favored 'General case' 0 C--N 1.303 -1.433 0 C-N-CA 119.854 -0.738 . . . . 0.0 109.109 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 74.4 mtm -60.92 -42.12 97.5 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.347 -0.845 . . . . 0.0 109.502 179.666 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.465 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -56.72 -47.91 78.91 Favored 'General case' 0 C--N 1.299 -1.595 0 C-N-CA 119.376 -0.93 . . . . 0.0 109.062 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 8.4 t -69.69 -37.46 76.62 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.072 -1.018 . . . . 0.0 110.032 -179.792 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -59.01 -40.25 84.36 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.162 -0.961 . . . . 0.0 110.286 -178.753 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -111.08 2.34 17.86 Favored 'General case' 0 N--CA 1.504 2.273 0 O-C-N 121.326 -0.859 . . . . 0.0 110.352 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.465 ' N ' ' O ' ' B' ' 23' ' ' ALA . 51.4 m-20 56.07 48.91 16.68 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.405 -0.809 . . . . 0.0 109.917 179.743 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 79.7 mt -115.13 152.27 46.52 Favored Pre-proline 0 N--CA 1.501 2.082 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_endo -61.54 150.48 85.16 Favored 'Trans proline' 0 N--CA 1.494 1.512 0 C-N-CA 121.651 1.568 . . . . 0.0 111.717 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -42.8 -39.3 7.35 Favored 'Trans proline' 0 N--CA 1.488 1.167 0 C-N-CA 121.992 1.795 . . . . 0.0 111.867 179.422 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 70.4 t -51.93 -51.26 30.0 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 121.197 -0.94 . . . . 0.0 110.666 -178.56 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 63.7 t -66.74 -45.91 86.93 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.953 0 C-N-CA 118.314 -1.355 . . . . 0.0 109.455 -179.207 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.07 -46.18 78.64 Favored 'General case' 0 C--N 1.299 -1.587 0 C-N-CA 119.774 -0.771 . . . . 0.0 110.119 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 41.0 mtmt -63.24 -36.1 82.54 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 120.57 -1.331 . . . . 0.0 110.89 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -60.35 -38.44 83.8 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 120.763 -1.21 . . . . 0.0 109.592 -178.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 68.3 mt -59.71 -40.19 81.72 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.344 0 C-N-CA 118.908 -1.117 . . . . 0.0 108.209 179.375 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 95.9 t -63.02 -38.03 80.92 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.852 0 O-C-N 121.342 -0.849 . . . . 0.0 108.847 179.039 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 38' ' ' ALA . . . . . 0.545 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -59.62 -31.98 70.0 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 179.685 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 49.5 m -79.47 -27.99 41.57 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.232 -0.918 . . . . 0.0 109.287 179.738 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 40.8 t -82.08 101.19 10.22 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.318 -0.864 . . . . 0.0 109.1 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -59.57 -31.56 69.55 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.29 -0.881 . . . . 0.0 110.466 -179.425 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -68.56 -41.13 80.2 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.714 -1.241 . . . . 0.0 110.874 -178.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 97.2 m -86.75 -19.56 28.93 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.938 -1.101 . . . . 0.0 109.535 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 44' ' ' GLN . . . . . 0.545 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 7.2 tt0 -74.92 -69.1 0.49 Allowed 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.22 -0.925 . . . . 0.0 109.582 -179.509 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 29.1 mt -83.03 86.35 7.01 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.946 -1.096 . . . . 0.0 108.408 179.316 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 19.1 tptm -95.25 -16.33 22.55 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.298 -0.877 . . . . 0.0 109.587 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 169.24 -13.11 0.06 OUTLIER Glycine 0 N--CA 1.488 2.165 0 N-CA-C 109.056 -1.618 . . . . 0.0 109.056 -179.382 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 78.5 tt0 -72.7 -4.45 31.29 Favored 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 179.566 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 49' ' ' ALA . . . . . 0.764 ' HB1' ' H ' ' A' ' 50' ' ' MET . . . -57.96 158.05 7.09 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.435 -0.791 . . . . 0.0 109.635 179.727 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 50' ' ' MET . . . . . 0.776 ' H ' ' HB1' ' A' ' 49' ' ' ALA . 19.5 ttt -56.89 -31.07 64.49 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.723 -0.61 . . . . 0.0 110.179 -179.526 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 51' ' ' HIS . . . . . 0.647 ' CG ' ' H ' ' B' ' 52' ' ' GLY . 22.6 t60 46.56 -161.22 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.332 -0.855 . . . . 0.0 109.523 -179.841 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 52' ' ' GLY . . . . . 0.647 ' H ' ' CG ' ' B' ' 51' ' ' HIS . . . 179.55 168.91 39.17 Favored Glycine 0 N--CA 1.487 2.066 0 N-CA-C 109.865 -1.294 . . . . 0.0 109.865 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -151.22 97.73 2.46 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.426 -1.044 . . . . 0.0 108.498 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.583 HG12 ' H ' ' B' ' 55' ' ' ASP . 1.9 t 48.51 -148.71 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.817 0 O-C-N 121.197 -0.939 . . . . 0.0 108.925 -179.655 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.583 ' H ' HG12 ' B' ' 54' ' ' VAL . 93.2 m-20 . . . . . 0 N--CA 1.489 1.495 0 CA-C-O 117.945 -1.026 . . . . 0.0 108.988 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.501 ' O ' HD12 ' A' ' 5' ' ' ILE . 91.2 m-85 . . . . . 0 N--CA 1.493 1.678 0 CA-C-O 121.462 0.649 . . . . 0.0 109.726 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 16.7 mt -71.8 -33.62 68.71 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.446 -0.783 . . . . 0.0 111.658 -178.037 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.507 ' N ' ' OD1' ' A' ' 3' ' ' ASP . 18.8 p-10 -68.94 -57.72 5.11 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 120.935 -1.103 . . . . 0.0 111.873 -178.183 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.418 ' H ' ' CG ' ' A' ' 3' ' ' ASP . . . -63.28 -44.4 97.04 Favored Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.68 -1.368 . . . . 0.0 109.68 -178.776 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.501 HD12 ' O ' ' A' ' 1' ' ' PHE . 82.8 mt -58.93 -40.13 79.58 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.586 0 O-C-N 121.154 -1.203 . . . . 0.0 109.957 -179.514 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -55.39 -44.02 75.73 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 120.609 -1.307 . . . . 0.0 108.975 -179.423 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -70.26 -47.46 61.21 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.308 -0.87 . . . . 0.0 109.14 178.687 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.27 -34.34 77.88 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.292 -0.88 . . . . 0.0 109.659 179.638 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -56.93 -40.49 76.47 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.326 -0.859 . . . . 0.0 109.424 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -61.72 -41.25 97.37 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.174 -0.954 . . . . 0.0 108.947 179.433 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.4 tm-20 -60.45 -41.84 94.93 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.517 -0.739 . . . . 0.0 109.764 179.684 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.533 ' O ' ' N ' ' A' ' 16' ' ' HIS . 17.4 t60 -60.25 -40.82 91.65 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.19 -0.944 . . . . 0.0 109.449 -179.722 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -61.74 -45.68 92.91 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.664 -0.647 . . . . 0.0 110.637 -179.023 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 33.8 mtmm -62.39 -39.81 94.43 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.185 -0.947 . . . . 0.0 112.458 -178.328 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 49.3 m-85 -126.58 -4.6 6.53 Favored 'General case' 0 N--CA 1.506 2.37 0 O-C-N 120.952 -1.093 . . . . 0.0 113.073 -176.345 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.533 ' N ' ' O ' ' A' ' 12' ' ' HIS . 92.8 m-70 51.78 40.39 27.57 Favored 'General case' 0 N--CA 1.497 1.879 0 N-CA-C 106.777 -1.564 . . . . 0.0 106.777 -176.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 95.4 p -61.36 155.92 20.28 Favored 'General case' 0 C--N 1.303 -1.451 0 CA-C-O 121.438 0.637 . . . . 0.0 110.594 -177.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -73.75 160.79 31.0 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.587 -0.696 . . . . 0.0 109.209 179.691 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 38.6 p-90 -57.98 -30.29 65.92 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.053 -1.029 . . . . 0.0 110.416 -179.435 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 58.0 mtp180 -63.47 -39.9 95.67 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.044 -1.035 . . . . 0.0 109.674 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.15 -49.08 60.04 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.256 -0.902 . . . . 0.0 108.612 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 77.2 mtm -60.08 -40.74 90.61 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.448 -0.782 . . . . 0.0 109.859 179.416 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.504 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -59.63 -48.8 80.25 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.248 -0.908 . . . . 0.0 108.896 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 40.7 t -68.51 -36.47 78.94 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.405 -0.809 . . . . 0.0 110.342 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -60.49 -39.98 89.67 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.211 -0.931 . . . . 0.0 110.546 -178.783 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -111.85 0.16 16.06 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.48 -0.763 . . . . 0.0 109.619 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.504 ' N ' ' O ' ' A' ' 23' ' ' ALA . 38.0 t-20 58.49 50.44 9.26 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.39 -0.819 . . . . 0.0 109.848 179.151 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 76.0 mt -119.56 152.38 53.04 Favored Pre-proline 0 N--CA 1.5 2.061 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -59.99 163.1 14.67 Favored 'Trans proline' 0 C--N 1.314 -1.27 0 C-N-CA 121.465 1.443 . . . . 0.0 111.347 179.618 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -57.14 -33.38 95.76 Favored 'Trans proline' 0 C--N 1.306 -1.678 0 C-N-CA 122.761 2.307 . . . . 0.0 111.354 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.538 HG11 HD11 ' B' ' 5' ' ' ILE . 60.5 t -53.39 -50.53 47.8 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.72 0 O-C-N 120.816 -1.177 . . . . 0.0 109.472 -179.1 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 61.0 t -67.94 -49.57 67.38 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.73 0 C-N-CA 119.009 -1.077 . . . . 0.0 109.208 -179.466 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.11 -44.72 91.4 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.239 -0.913 . . . . 0.0 110.461 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.489 ' NZ ' ' OE2' ' B' ' 35' ' ' GLU . 8.0 mtmp? -63.16 -35.76 81.35 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.565 -1.335 . . . . 0.0 110.319 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.9 tm-20 -60.03 -39.89 87.44 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 120.996 -1.065 . . . . 0.0 110.342 -179.214 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 54.5 mt -60.55 -40.33 84.12 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.381 0 O-C-N 120.864 -1.148 . . . . 0.0 109.099 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 65.2 t -63.96 -38.78 83.29 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.487 0 O-C-N 121.052 -1.03 . . . . 0.0 108.603 179.345 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.73 -32.09 70.23 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.438 -0.789 . . . . 0.0 110.029 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.8 m -78.27 -21.6 49.57 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.186 -0.946 . . . . 0.0 110.049 -178.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 45.4 t -83.82 105.03 14.4 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.045 -1.034 . . . . 0.0 109.464 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -61.24 -30.78 70.65 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.355 -0.841 . . . . 0.0 110.539 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -69.14 -40.0 78.52 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.87 -1.143 . . . . 0.0 111.139 -178.607 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 66.6 m -84.39 -29.79 25.92 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.113 -0.992 . . . . 0.0 109.688 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -72.35 -54.32 9.8 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.162 -0.961 . . . . 0.0 111.143 -178.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 88.4 mt -83.95 23.74 0.99 Allowed 'General case' 0 C--N 1.297 -1.702 0 O-C-N 121.254 -0.904 . . . . 0.0 110.46 -177.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 59.6 tttm -79.98 137.61 36.88 Favored 'General case' 0 C--N 1.296 -1.733 0 O-C-N 121.486 -0.759 . . . . 0.0 109.139 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 104.02 -169.85 18.21 Favored Glycine 0 N--CA 1.496 2.688 0 N-CA-C 109.32 -1.512 . . . . 0.0 109.32 -179.491 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -84.8 134.11 34.32 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.267 -1.137 . . . . 0.0 110.045 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -107.45 -105.22 0.34 Allowed 'General case' 0 N--CA 1.502 2.158 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 179.227 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 18.2 ttt -103.25 125.7 50.04 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.534 -0.729 . . . . 0.0 109.764 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 32.9 p-80 -134.37 25.4 3.8 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 120.948 -1.095 . . . . 0.0 109.109 178.675 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -76.03 -156.67 6.54 Favored Glycine 0 N--CA 1.491 2.335 0 N-CA-C 109.54 -1.424 . . . . 0.0 109.54 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 54.73 61.3 3.04 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.302 -1.117 . . . . 0.0 109.879 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.515 HG12 ' H ' ' A' ' 55' ' ' ASP . 4.0 t 60.58 171.23 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 121.428 -0.795 . . . . 0.0 108.902 -179.483 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.515 ' H ' HG12 ' A' ' 54' ' ' VAL . 97.8 m-20 . . . . . 0 N--CA 1.485 1.309 0 CA-C-O 117.738 -1.125 . . . . 0.0 109.356 -179.707 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 1' ' ' PHE . . . . . 0.48 ' O ' HD12 ' B' ' 5' ' ' ILE . 92.4 m-85 . . . . . 0 N--CA 1.49 1.573 0 CA-C-O 121.35 0.595 . . . . 0.0 109.636 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 14.6 mt -70.69 -34.73 72.28 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.517 -0.739 . . . . 0.0 111.557 -178.126 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 3' ' ' ASP . . . . . 0.535 ' N ' ' OD1' ' B' ' 3' ' ' ASP . 15.6 p-10 -66.3 -59.45 3.71 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.05 -1.031 . . . . 0.0 111.687 -177.825 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.84 -43.56 97.44 Favored Glycine 0 N--CA 1.492 2.367 0 C-N-CA 119.785 -1.198 . . . . 0.0 110.13 -178.511 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.538 HD11 HG11 ' A' ' 31' ' ' VAL . 85.1 mt -59.07 -39.64 78.92 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.533 0 O-C-N 121.084 -1.244 . . . . 0.0 109.919 -179.408 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -55.34 -44.01 75.52 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.738 -1.226 . . . . 0.0 108.648 -179.721 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -70.81 -46.88 62.03 Favored 'General case' 0 C--N 1.298 -1.674 0 O-C-N 120.914 -1.116 . . . . 0.0 109.418 178.698 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.45 -34.03 77.26 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.416 -0.802 . . . . 0.0 109.469 179.544 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 9' ' ' GLN . . . . . 0.433 ' N ' ' O ' ' B' ' 5' ' ' ILE . 58.1 tt0 -57.16 -40.12 76.62 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.248 -0.907 . . . . 0.0 109.359 179.448 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -62.56 -40.98 98.56 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.107 -0.996 . . . . 0.0 108.875 179.767 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 14.5 tm-20 -60.9 -41.67 96.52 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.525 -0.734 . . . . 0.0 109.945 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 12' ' ' HIS . . . . . 0.565 ' O ' ' N ' ' B' ' 16' ' ' HIS . 18.8 t60 -60.41 -40.41 90.9 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.893 -1.13 . . . . 0.0 109.205 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -61.22 -46.7 89.34 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.618 -0.676 . . . . 0.0 110.536 -178.736 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 33.6 mtmm -61.16 -40.26 93.21 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.466 -0.772 . . . . 0.0 112.785 -178.629 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 -127.16 -4.06 6.24 Favored 'General case' 0 N--CA 1.503 2.19 0 O-C-N 121.161 -0.962 . . . . 0.0 113.264 -175.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.565 ' N ' ' O ' ' B' ' 12' ' ' HIS . 92.2 m-70 51.68 39.93 26.28 Favored 'General case' 0 N--CA 1.5 2.037 0 N-CA-C 106.998 -1.482 . . . . 0.0 106.998 -177.366 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 88.9 p -61.76 154.37 25.84 Favored 'General case' 0 C--N 1.3 -1.587 0 CA-C-O 121.681 0.753 . . . . 0.0 110.755 -177.708 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -72.36 159.63 33.7 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.463 -0.773 . . . . 0.0 109.233 179.678 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 34.7 p-90 -56.73 -30.39 63.48 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.327 -0.858 . . . . 0.0 111.015 -179.281 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 54.3 mtp180 -63.53 -40.46 97.08 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.72 -1.237 . . . . 0.0 109.703 179.666 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.9 -48.76 65.14 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.212 -0.93 . . . . 0.0 108.756 -179.637 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 76.9 mtm -61.04 -42.24 98.09 Favored 'General case' 0 N--CA 1.49 1.553 0 C-N-CA 119.942 -0.703 . . . . 0.0 109.622 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.509 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -58.3 -46.38 86.22 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.216 -0.927 . . . . 0.0 109.065 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 41.9 t -69.91 -37.49 75.97 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.56 -0.712 . . . . 0.0 110.578 179.562 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -60.04 -39.98 87.82 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.137 -0.977 . . . . 0.0 110.215 -178.687 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -111.43 -0.53 16.24 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.545 -0.722 . . . . 0.0 109.955 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.509 ' N ' ' O ' ' B' ' 23' ' ' ALA . 33.7 t-20 58.64 49.78 9.86 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.049 -1.032 . . . . 0.0 110.11 179.188 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 68.9 mt -118.89 152.75 52.09 Favored Pre-proline 0 N--CA 1.497 1.9 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 179.636 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -59.81 163.02 14.36 Favored 'Trans proline' 0 N--CA 1.491 1.343 0 C-N-CA 121.481 1.454 . . . . 0.0 111.356 179.545 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -57.54 -30.79 89.66 Favored 'Trans proline' 0 C--N 1.304 -1.765 0 C-N-CA 122.722 2.281 . . . . 0.0 111.645 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.453 HG11 HD11 ' A' ' 5' ' ' ILE . 60.4 t -56.04 -49.61 74.59 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.78 0 O-C-N 120.846 -1.158 . . . . 0.0 109.024 -179.18 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 57.8 t -68.16 -49.29 68.76 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.523 0 C-N-CA 118.875 -1.13 . . . . 0.0 109.317 -179.468 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.39 -44.99 89.61 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.365 -0.835 . . . . 0.0 110.436 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 7.9 mtmp? -63.16 -34.69 78.18 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.61 -1.306 . . . . 0.0 110.327 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 35' ' ' GLU . . . . . 0.489 ' OE2' ' NZ ' ' A' ' 34' ' ' LYS . 15.6 tm-20 -60.27 -39.83 88.22 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.115 -0.991 . . . . 0.0 109.913 -179.267 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 60.5 mt -60.7 -39.9 83.1 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.456 0 O-C-N 120.773 -1.204 . . . . 0.0 109.389 179.694 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 67.7 t -64.9 -38.42 82.72 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 O-C-N 121.164 -0.96 . . . . 0.0 108.794 179.562 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.48 -32.17 71.17 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.35 -0.844 . . . . 0.0 109.907 179.761 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 15.1 m -77.94 -23.79 48.45 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.245 -0.909 . . . . 0.0 110.011 -178.769 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 46.6 t -81.86 103.89 11.84 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.207 -0.933 . . . . 0.0 109.642 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -60.46 -30.71 69.85 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.019 -1.051 . . . . 0.0 110.531 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -69.03 -39.51 79.17 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 120.823 -1.173 . . . . 0.0 110.864 -178.724 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 65.3 m -84.52 -28.72 26.5 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.915 -1.115 . . . . 0.0 109.915 -179.729 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -73.27 -52.9 12.28 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.069 -1.019 . . . . 0.0 111.491 -178.729 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 89.5 mt -85.02 22.57 1.38 Allowed 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.394 -0.816 . . . . 0.0 110.271 -177.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 58.8 tttm -78.5 138.64 38.53 Favored 'General case' 0 C--N 1.297 -1.68 0 O-C-N 121.45 -0.781 . . . . 0.0 109.234 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 102.07 -173.37 23.3 Favored Glycine 0 N--CA 1.493 2.497 0 N-CA-C 108.774 -1.73 . . . . 0.0 108.774 -179.295 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -81.65 135.85 35.53 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.109 -1.23 . . . . 0.0 110.21 -179.721 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -109.14 -105.93 0.35 Allowed 'General case' 0 N--CA 1.502 2.13 0 O-C-N 121.209 -0.932 . . . . 0.0 109.057 178.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 17.4 ttt -102.23 125.8 49.04 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.217 -0.927 . . . . 0.0 109.399 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 33.9 p-80 -134.86 22.78 3.58 Favored 'General case' 0 N--CA 1.503 2.225 0 O-C-N 121.093 -1.004 . . . . 0.0 109.537 178.805 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -73.89 -154.81 3.47 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.642 -1.383 . . . . 0.0 109.642 179.709 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 53.24 60.16 3.93 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.203 -1.175 . . . . 0.0 109.398 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.481 HG12 ' H ' ' B' ' 55' ' ' ASP . 3.9 t 60.92 170.01 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 O-C-N 121.226 -0.921 . . . . 0.0 109.317 -179.618 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.481 ' H ' HG12 ' B' ' 54' ' ' VAL . 98.3 m-20 . . . . . 0 N--CA 1.489 1.511 0 CA-C-O 117.868 -1.063 . . . . 0.0 109.652 -179.398 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 . . . . . 0 N--CA 1.487 1.4 0 CA-C-O 121.551 0.691 . . . . 0.0 109.377 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 15.5 mt -71.88 -39.86 69.34 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.57 -0.706 . . . . 0.0 110.808 -178.715 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -65.95 -43.89 86.64 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.222 -0.924 . . . . 0.0 111.307 -178.487 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.77 -46.99 42.67 Favored Glycine 0 N--CA 1.491 2.35 0 N-CA-C 109.215 -1.554 . . . . 0.0 109.215 -179.495 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.614 HD11 HG11 ' B' ' 31' ' ' VAL . 81.9 mt -59.96 -37.56 72.8 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.679 0 O-C-N 121.411 -1.052 . . . . 0.0 109.744 179.876 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 50.6 t0 -55.44 -47.13 76.48 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 120.852 -1.155 . . . . 0.0 108.709 -179.44 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -68.06 -45.07 74.88 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.236 -0.915 . . . . 0.0 109.53 179.076 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.83 -36.26 81.94 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.521 -0.737 . . . . 0.0 109.828 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -58.08 -39.84 79.55 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.244 -0.91 . . . . 0.0 109.108 -179.735 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -60.87 -43.81 97.89 Favored 'General case' 0 C--N 1.303 -1.454 0 C-N-CA 119.273 -0.971 . . . . 0.0 108.7 179.164 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.5 tm-20 -61.13 -40.65 94.59 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.309 -0.869 . . . . 0.0 108.899 179.022 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.525 ' O ' ' N ' ' A' ' 16' ' ' HIS . 14.0 t60 -60.49 -44.76 95.62 Favored 'General case' 0 C--N 1.305 -1.334 0 O-C-N 121.246 -0.909 . . . . 0.0 109.595 179.488 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -60.63 -44.89 95.84 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.212 -0.93 . . . . 0.0 110.725 -179.343 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt -60.28 -37.46 80.55 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.388 -0.82 . . . . 0.0 112.557 -178.416 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -133.68 -4.78 2.88 Favored 'General case' 0 N--CA 1.506 2.368 0 O-C-N 120.829 -1.169 . . . . 0.0 113.119 -176.376 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.525 ' N ' ' O ' ' A' ' 12' ' ' HIS . 91.6 m-70 54.72 41.12 32.16 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 120.482 -1.386 . . . . 0.0 107.458 -177.527 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 93.6 p -62.83 156.74 23.21 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.699 -0.626 . . . . 0.0 110.634 -178.441 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 70.4 m-20 -72.95 158.61 35.13 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.47 -0.769 . . . . 0.0 109.354 179.893 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 33.2 p-90 -56.85 -29.89 63.29 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.025 -1.047 . . . . 0.0 110.597 -179.614 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.416 HH11 ' HG2' ' A' ' 20' ' ' ARG . 60.2 mtt-85 -62.48 -39.88 94.87 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 120.99 -1.069 . . . . 0.0 109.637 179.336 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.77 -48.63 63.19 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.138 -0.976 . . . . 0.0 109.477 -179.742 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 77.3 mtm -61.28 -39.88 92.07 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.092 -1.005 . . . . 0.0 109.586 179.607 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.464 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -58.29 -47.6 83.13 Favored 'General case' 0 N--CA 1.488 1.475 0 C-N-CA 119.573 -0.851 . . . . 0.0 109.044 179.877 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 39.2 t -70.37 -37.06 74.51 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.174 -0.954 . . . . 0.0 110.577 179.681 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -60.3 -39.99 88.91 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.131 -0.981 . . . . 0.0 110.655 -178.633 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -111.25 -0.43 16.44 Favored 'General case' 0 N--CA 1.504 2.238 0 O-C-N 121.406 -0.809 . . . . 0.0 110.195 -179.747 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.464 ' N ' ' O ' ' A' ' 23' ' ' ALA . 6.8 m-20 57.42 50.08 11.91 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.517 -0.74 . . . . 0.0 109.511 179.741 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 79.2 mt -114.04 152.41 45.75 Favored Pre-proline 0 N--CA 1.496 1.86 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 179.483 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_endo -58.43 159.68 18.98 Favored 'Trans proline' 0 C--N 1.315 -1.211 0 C-N-CA 121.448 1.432 . . . . 0.0 110.606 179.386 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_endo -55.69 -31.03 78.21 Favored 'Trans proline' 0 C--N 1.298 -2.105 0 C-N-CA 122.46 2.107 . . . . 0.0 112.29 -179.79 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.651 HG11 HD11 ' B' ' 5' ' ' ILE . 93.6 t -58.57 -48.42 85.62 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.603 0 O-C-N 121.337 -0.852 . . . . 0.0 110.384 -178.782 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 63.3 t -66.36 -47.56 83.71 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.966 0 C-N-CA 118.65 -1.22 . . . . 0.0 109.484 -178.619 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.96 -47.99 72.78 Favored 'General case' 0 C--N 1.298 -1.659 0 C-N-CA 119.569 -0.852 . . . . 0.0 110.143 179.919 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 53.1 mtpt -61.12 -34.5 75.07 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 120.762 -1.211 . . . . 0.0 110.559 -179.704 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.6 tm-20 -62.23 -38.7 90.24 Favored 'General case' 0 C--N 1.307 -1.267 0 O-C-N 120.938 -1.101 . . . . 0.0 109.931 -179.124 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 79.2 mt -59.75 -40.39 82.35 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 O-C-N 120.948 -1.095 . . . . 0.0 108.957 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 97.6 t -61.52 -38.44 80.16 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.608 0 O-C-N 121.31 -0.869 . . . . 0.0 109.112 178.774 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.33 -31.92 70.75 Favored 'General case' 0 C--N 1.307 -1.276 0 O-C-N 121.437 -0.789 . . . . 0.0 109.172 179.634 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 22.8 m -78.64 -28.5 45.48 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.476 -0.765 . . . . 0.0 110.372 -179.218 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 46.8 t -81.82 102.46 10.84 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.356 -0.84 . . . . 0.0 109.538 -179.777 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -60.06 -30.88 69.49 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.234 -0.916 . . . . 0.0 110.315 -179.165 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 57.1 mtpt -69.94 -40.12 75.66 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.083 -1.011 . . . . 0.0 110.703 -178.501 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 66.9 m -85.48 -18.27 34.04 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.851 -1.156 . . . . 0.0 109.336 179.349 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 30.6 tt0 -74.99 -71.47 0.35 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.129 -0.982 . . . . 0.0 109.085 -179.411 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 54.2 mt -82.86 112.67 19.88 Favored 'General case' 0 N--CA 1.492 1.638 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 179.265 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.415 ' NZ ' ' CB ' ' A' ' 46' ' ' LYS . 2.9 ttmp? -91.99 132.15 36.74 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.867 -1.146 . . . . 0.0 109.765 -179.487 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 76.27 -173.7 53.88 Favored Glycine 0 N--CA 1.491 2.343 0 N-CA-C 109.84 -1.304 . . . . 0.0 109.84 179.607 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -89.99 148.65 22.95 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.298 -1.119 . . . . 0.0 108.965 179.677 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.49 ' O ' ' O ' ' B' ' 49' ' ' ALA . . . -91.54 -29.9 16.71 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.019 -1.05 . . . . 0.0 110.741 -179.089 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 22.7 ptp -96.25 148.67 22.49 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 120.971 -1.081 . . . . 0.0 110.429 -179.505 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 40.0 p-80 -65.93 166.6 11.05 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.494 -0.754 . . . . 0.0 109.436 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -130.51 -19.65 1.32 Allowed Glycine 0 N--CA 1.499 2.853 0 N-CA-C 109.713 -1.355 . . . . 0.0 109.713 -179.936 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -65.81 151.99 45.4 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.192 -1.181 . . . . 0.0 109.702 -179.634 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.502 HG12 ' H ' ' A' ' 55' ' ' ASP . 1.5 t 49.88 -147.35 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.862 0 O-C-N 121.396 -0.815 . . . . 0.0 109.608 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.502 ' H ' HG12 ' A' ' 54' ' ' VAL . 92.1 m-20 . . . . . 0 N--CA 1.492 1.635 0 CA-C-O 118.112 -0.947 . . . . 0.0 109.659 -179.763 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 . . . . . 0 N--CA 1.495 1.815 0 CA-C-O 121.769 0.795 . . . . 0.0 109.72 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 15.1 mt -71.93 -39.82 69.19 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.5 -0.75 . . . . 0.0 110.693 -178.77 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -66.32 -43.5 86.0 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.094 -1.004 . . . . 0.0 111.71 -178.516 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.82 -46.78 43.56 Favored Glycine 0 N--CA 1.492 2.406 0 N-CA-C 109.242 -1.543 . . . . 0.0 109.242 -179.517 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.651 HD11 HG11 ' A' ' 31' ' ' VAL . 83.7 mt -59.85 -38.02 74.38 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.636 0 O-C-N 121.461 -1.023 . . . . 0.0 109.751 179.712 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -54.83 -47.07 74.58 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 120.879 -1.138 . . . . 0.0 108.695 -179.685 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -68.58 -44.94 73.32 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.162 -0.961 . . . . 0.0 109.645 179.236 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.27 -35.75 80.15 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.507 -0.746 . . . . 0.0 109.661 -179.961 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 9' ' ' GLN . . . . . 0.422 ' N ' ' O ' ' B' ' 5' ' ' ILE . 61.8 tt0 -58.17 -40.73 82.18 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.079 -1.013 . . . . 0.0 108.584 -179.577 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -59.79 -43.89 94.19 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 119.134 -1.026 . . . . 0.0 108.866 179.24 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 12.9 tm-20 -61.14 -40.18 92.85 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.069 -1.019 . . . . 0.0 108.934 179.102 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 12' ' ' HIS . . . . . 0.535 ' O ' ' N ' ' B' ' 16' ' ' HIS . 14.6 t60 -61.04 -44.8 96.86 Favored 'General case' 0 N--CA 1.485 1.276 0 O-C-N 121.149 -0.97 . . . . 0.0 109.744 -179.905 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -60.72 -44.48 96.56 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.311 -0.868 . . . . 0.0 110.751 -179.321 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt -60.29 -38.43 83.58 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.311 -0.868 . . . . 0.0 112.668 -178.747 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 51.9 m-85 -132.33 -5.58 3.38 Favored 'General case' 0 N--CA 1.506 2.357 0 O-C-N 120.895 -1.128 . . . . 0.0 113.196 -176.185 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.535 ' N ' ' O ' ' B' ' 12' ' ' HIS . 91.5 m-70 54.94 40.47 32.02 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.508 -1.37 . . . . 0.0 107.366 -177.417 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 97.4 p -62.49 157.52 20.09 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.694 -0.629 . . . . 0.0 110.561 -178.78 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 72.2 m-20 -73.71 159.29 33.21 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.366 -0.834 . . . . 0.0 109.348 179.455 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 32.2 p-90 -57.51 -29.83 64.63 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.272 -0.893 . . . . 0.0 110.165 -179.209 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 20' ' ' ARG . . . . . 0.424 HH11 ' HG2' ' B' ' 20' ' ' ARG . 59.4 mtt-85 -62.25 -40.06 94.94 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.929 -1.107 . . . . 0.0 109.566 179.44 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.02 -48.73 62.23 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.232 -0.917 . . . . 0.0 109.428 -179.322 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 77.8 mtm -60.9 -39.97 91.35 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.354 -0.841 . . . . 0.0 109.574 179.358 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.472 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -58.32 -47.98 81.98 Favored 'General case' 0 C--N 1.303 -1.425 0 C-N-CA 119.529 -0.869 . . . . 0.0 109.401 179.895 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 38.1 t -70.55 -36.57 73.73 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.278 -0.888 . . . . 0.0 110.146 179.725 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -60.49 -39.87 89.27 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.047 -1.033 . . . . 0.0 110.744 -178.679 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -111.11 -1.42 16.23 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.491 -0.756 . . . . 0.0 110.177 -179.773 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.472 ' N ' ' O ' ' B' ' 23' ' ' ALA . 5.8 m-20 58.32 50.01 10.2 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.233 -0.917 . . . . 0.0 109.914 -179.961 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 81.3 mt -114.51 152.29 46.02 Favored Pre-proline 0 N--CA 1.5 2.029 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 179.68 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_endo -58.56 159.21 20.81 Favored 'Trans proline' 0 C--N 1.316 -1.183 0 C-N-CA 121.166 1.244 . . . . 0.0 110.627 179.215 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_endo -55.01 -31.76 75.97 Favored 'Trans proline' 0 C--N 1.3 -1.989 0 C-N-CA 122.27 1.98 . . . . 0.0 112.554 -179.654 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.614 HG11 HD11 ' A' ' 5' ' ' ILE . 83.7 t -57.96 -48.38 84.23 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.573 0 O-C-N 121.266 -0.896 . . . . 0.0 110.341 -178.724 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 63.9 t -66.57 -47.21 84.19 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.925 0 C-N-CA 118.219 -1.393 . . . . 0.0 109.656 -178.799 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.85 -48.13 72.64 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 121.246 -0.909 . . . . 0.0 109.957 179.925 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 51.4 mtpt -60.96 -34.93 75.51 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 120.932 -1.105 . . . . 0.0 110.615 -179.496 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 14.6 tm-20 -61.75 -39.08 90.33 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.232 -0.918 . . . . 0.0 110.0 -179.029 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 83.6 mt -59.95 -39.59 80.58 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 121.086 -1.009 . . . . 0.0 109.191 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 94.9 t -61.97 -38.76 81.5 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.604 0 O-C-N 121.166 -0.959 . . . . 0.0 108.668 178.947 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.89 -31.44 69.8 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.347 -0.845 . . . . 0.0 109.286 179.608 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 19.0 m -79.94 -27.2 39.85 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.378 -0.827 . . . . 0.0 110.181 -179.171 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 47.3 t -82.69 102.81 11.75 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.089 -1.007 . . . . 0.0 109.21 179.918 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -60.35 -30.06 69.3 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.275 -0.891 . . . . 0.0 110.408 -179.438 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 57.0 mtpt -70.3 -40.74 74.05 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.341 -0.849 . . . . 0.0 110.673 -178.896 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 68.2 m -85.44 -17.95 35.06 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.83 -1.169 . . . . 0.0 109.163 179.567 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 30.9 tt0 -75.01 -71.63 0.34 Allowed 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.009 -1.057 . . . . 0.0 109.303 -179.497 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 56.2 mt -82.96 112.58 19.87 Favored 'General case' 0 C--N 1.298 -1.636 0 O-C-N 121.127 -0.983 . . . . 0.0 108.368 179.314 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 46' ' ' LYS . . . . . 0.406 ' CB ' ' NZ ' ' B' ' 46' ' ' LYS . 2.8 ttmp? -91.93 132.35 36.56 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.151 -0.968 . . . . 0.0 109.545 -179.404 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 76.41 -173.96 53.91 Favored Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.761 -1.335 . . . . 0.0 109.761 179.727 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 48' ' ' GLU . . . . . 0.418 ' H ' ' HG2' ' B' ' 48' ' ' GLU . 19.1 pt-20 -90.69 147.94 22.93 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.375 -1.074 . . . . 0.0 108.824 179.969 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 49' ' ' ALA . . . . . 0.49 ' O ' ' O ' ' A' ' 49' ' ' ALA . . . -91.19 -30.2 16.8 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.214 -0.929 . . . . 0.0 110.513 -178.894 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 22.6 ptp -95.96 149.75 21.21 Favored 'General case' 0 N--CA 1.503 2.186 0 O-C-N 121.019 -1.05 . . . . 0.0 110.516 -179.415 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 39.5 p-80 -67.21 165.43 16.12 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.382 -0.824 . . . . 0.0 109.508 179.636 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -129.62 -20.35 1.38 Allowed Glycine 0 N--CA 1.502 3.041 0 N-CA-C 109.436 -1.466 . . . . 0.0 109.436 -179.918 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -64.83 151.44 45.45 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.207 -1.172 . . . . 0.0 109.994 -179.906 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.499 HG12 ' H ' ' B' ' 55' ' ' ASP . 1.5 t 49.41 -148.33 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 O-C-N 121.239 -0.913 . . . . 0.0 109.135 -179.84 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.499 ' H ' HG12 ' B' ' 54' ' ' VAL . 96.3 m-20 . . . . . 0 N--CA 1.493 1.71 0 O-C-N 121.094 -1.004 . . . . 0.0 109.659 180.0 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.53 ' O ' HD12 ' A' ' 5' ' ' ILE . 66.8 m-85 . . . . . 0 N--CA 1.492 1.672 0 CA-C-O 121.518 0.675 . . . . 0.0 109.448 . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 18.7 mt -72.51 -23.03 60.95 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.548 -0.72 . . . . 0.0 111.048 -178.716 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 55.3 t0 -68.07 -64.3 0.89 Allowed 'General case' 0 N--CA 1.497 1.916 0 O-C-N 120.834 -1.166 . . . . 0.0 111.358 -178.427 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.44 -40.87 99.63 Favored Glycine 0 N--CA 1.493 2.449 0 N-CA-C 109.853 -1.299 . . . . 0.0 109.853 -178.965 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.6 HD11 HG13 ' A' ' 32' ' ' VAL . 96.4 mt -59.59 -40.25 81.6 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.124 -1.221 . . . . 0.0 110.342 -179.748 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 58.2 t0 -55.37 -48.49 74.21 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 120.841 -1.162 . . . . 0.0 108.537 -179.972 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 30.5 ttmt -67.97 -43.31 79.29 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.172 -0.955 . . . . 0.0 109.192 178.907 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.58 -35.85 81.88 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.217 -0.927 . . . . 0.0 109.094 179.631 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 5' ' ' ILE . 8.9 tm0? -56.81 -40.9 76.83 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.273 -0.892 . . . . 0.0 109.221 -179.642 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 44.6 tp10 -60.36 -41.84 94.53 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.062 -1.024 . . . . 0.0 108.884 179.177 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.3 tm-20 -59.92 -41.54 91.94 Favored 'General case' 0 N--CA 1.491 1.585 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 179.241 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.565 ' O ' ' N ' ' A' ' 16' ' ' HIS . 14.9 t60 -60.68 -46.05 91.83 Favored 'General case' 0 C--N 1.303 -1.415 0 C-N-CA 119.766 -0.774 . . . . 0.0 109.392 179.722 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 24.6 tp10 -60.84 -42.44 97.78 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 121.185 -0.947 . . . . 0.0 110.307 -179.147 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.2 mtpp -62.94 -30.5 71.61 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.544 -0.723 . . . . 0.0 112.77 -178.409 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 48.6 m-85 -138.12 -6.3 1.62 Allowed 'General case' 0 N--CA 1.506 2.328 0 O-C-N 120.75 -1.219 . . . . 0.0 112.271 -177.036 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.565 ' N ' ' O ' ' A' ' 12' ' ' HIS . 84.2 m-70 53.27 41.81 32.12 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.45 -1.406 . . . . 0.0 107.357 -177.996 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 88.9 p -65.18 157.0 29.94 Favored 'General case' 0 C--N 1.302 -1.461 0 CA-C-O 121.543 0.687 . . . . 0.0 110.786 -178.533 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -73.47 156.5 38.15 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.612 -0.68 . . . . 0.0 109.712 179.897 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 46.7 p-90 -54.61 -29.78 52.83 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.311 -0.868 . . . . 0.0 109.836 -179.945 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 83.0 mtm180 -62.16 -40.99 97.84 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.959 -1.088 . . . . 0.0 109.762 -179.842 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.18 -48.46 57.15 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.376 -0.827 . . . . 0.0 109.401 -179.9 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 78.6 mtm -60.98 -39.84 91.15 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.311 -0.868 . . . . 0.0 109.375 179.87 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.461 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -58.21 -49.45 77.01 Favored 'General case' 0 C--N 1.303 -1.423 0 C-N-CA 119.365 -0.934 . . . . 0.0 109.111 179.571 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 44.7 t -69.7 -35.35 75.0 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.337 -0.852 . . . . 0.0 110.058 179.618 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 58.4 t0 -59.96 -40.78 90.19 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.272 -0.892 . . . . 0.0 110.552 -179.158 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -112.08 2.42 16.78 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.448 -0.783 . . . . 0.0 110.384 -179.98 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.461 ' N ' ' O ' ' A' ' 23' ' ' ALA . 15.3 m120 56.86 47.85 17.12 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.213 -0.929 . . . . 0.0 109.982 179.268 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 64.9 mt -113.19 152.9 45.47 Favored Pre-proline 0 N--CA 1.498 1.936 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 179.703 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -62.06 147.88 94.24 Favored 'Trans proline' 0 N--CA 1.492 1.431 0 C-N-CA 121.595 1.53 . . . . 0.0 111.446 179.629 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo -41.51 -37.04 3.27 Favored 'Trans proline' 0 C--N 1.314 -1.262 0 C-N-CA 122.065 1.844 . . . . 0.0 111.973 -179.965 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 42.3 t -52.95 -50.2 45.27 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.869 0 O-C-N 121.329 -0.857 . . . . 0.0 110.528 -178.469 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.6 HG13 HD11 ' A' ' 5' ' ' ILE . 98.7 t -66.9 -46.77 84.32 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.818 0 C-N-CA 118.688 -1.205 . . . . 0.0 109.611 -179.156 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.68 -42.11 82.62 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.382 -0.824 . . . . 0.0 109.912 -179.863 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.2 mmmm -60.65 -37.96 83.23 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.068 -1.02 . . . . 0.0 109.848 -179.855 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.3 tm-20 -62.22 -39.76 93.86 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.189 -0.944 . . . . 0.0 110.748 -178.53 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 61.9 mt -60.31 -39.62 81.42 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 O-C-N 120.772 -1.205 . . . . 0.0 108.28 179.733 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 55.4 t -64.77 -39.6 86.19 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 121.265 -0.897 . . . . 0.0 108.988 178.971 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.401 ' O ' ' OE1' ' A' ' 44' ' ' GLN . . . -62.1 -34.16 75.8 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.45 -0.781 . . . . 0.0 109.276 179.664 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 58.1 m -77.32 -26.18 51.89 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.137 -0.977 . . . . 0.0 110.14 -179.09 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 35.3 t -81.32 104.76 12.0 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.996 -1.065 . . . . 0.0 108.731 179.532 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -60.32 -30.09 69.29 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.48 -0.762 . . . . 0.0 110.525 -178.94 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -70.42 -41.09 73.39 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.143 -0.973 . . . . 0.0 110.048 -179.173 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 87.3 m -87.61 -27.31 22.59 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 120.958 -1.089 . . . . 0.0 109.664 179.891 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.401 ' OE1' ' O ' ' A' ' 38' ' ' ALA . 15.9 tt0 -73.72 -70.45 0.38 Allowed 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.439 -0.788 . . . . 0.0 109.185 -179.484 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 46.0 mt -80.48 106.92 12.86 Favored 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 179.282 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.555 ' O ' ' N ' ' A' ' 48' ' ' GLU . 83.0 tttt -90.67 134.21 34.57 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.296 -0.878 . . . . 0.0 108.64 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -48.47 88.24 0.01 OUTLIER Glycine 0 N--CA 1.493 2.455 0 N-CA-C 110.185 -1.166 . . . . 0.0 110.185 -179.409 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.555 ' N ' ' O ' ' A' ' 46' ' ' LYS . 20.7 pt-20 -145.31 -32.03 0.39 Allowed 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.069 -1.253 . . . . 0.0 109.374 179.694 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.86 109.7 18.88 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.52 -0.737 . . . . 0.0 109.302 -179.948 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 21.3 ptm -173.38 -158.35 0.1 Allowed 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.26 -0.9 . . . . 0.0 109.602 -179.429 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 84.8 m-70 -50.86 145.7 6.84 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.285 -0.885 . . . . 0.0 109.119 179.743 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -140.94 80.32 0.26 Allowed Glycine 0 N--CA 1.5 2.91 0 N-CA-C 109.761 -1.336 . . . . 0.0 109.761 -179.651 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.446 ' O ' ' O ' ' A' ' 54' ' ' VAL . 39.9 tt0 63.02 18.74 11.16 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.305 -1.115 . . . . 0.0 108.849 -179.977 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.446 ' O ' ' O ' ' A' ' 53' ' ' GLN . 4.4 t 56.42 160.58 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 121.454 -0.779 . . . . 0.0 109.932 179.392 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 48.7 p-10 . . . . . 0 N--CA 1.495 1.813 0 CA-C-O 118.03 -0.986 . . . . 0.0 109.175 179.635 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' B' B ' 1' ' ' PHE . . . . . 0.514 ' O ' HD12 ' B' ' 5' ' ' ILE . 65.6 m-85 . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 121.455 0.645 . . . . 0.0 109.44 . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 20.1 mt -72.62 -22.53 60.94 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.582 -0.699 . . . . 0.0 111.099 -178.63 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -68.14 -64.8 0.79 Allowed 'General case' 0 N--CA 1.497 1.911 0 O-C-N 120.91 -1.119 . . . . 0.0 111.288 -178.43 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.3 -40.55 99.17 Favored Glycine 0 N--CA 1.493 2.464 0 N-CA-C 110.151 -1.179 . . . . 0.0 110.151 -178.984 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.611 HD11 HG13 ' B' ' 32' ' ' VAL . 96.1 mt -59.94 -40.02 81.78 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.485 0 O-C-N 121.253 -1.146 . . . . 0.0 110.09 -179.594 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 58.5 t0 -55.5 -48.45 74.6 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.008 -1.058 . . . . 0.0 108.249 -179.82 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 29.8 ttmt -67.99 -43.39 79.01 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.248 -0.908 . . . . 0.0 109.066 179.02 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.68 -35.49 80.73 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.307 -0.87 . . . . 0.0 109.304 179.655 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 9' ' ' GLN . . . . . 0.419 ' N ' ' O ' ' B' ' 5' ' ' ILE . 9.2 tm0? -57.14 -40.7 77.69 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.299 -0.875 . . . . 0.0 109.212 -179.554 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 45.0 tp10 -60.22 -41.9 94.05 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.161 -0.962 . . . . 0.0 108.67 178.945 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 13.1 tm-20 -60.25 -41.33 92.97 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.345 -0.847 . . . . 0.0 109.007 179.051 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 12' ' ' HIS . . . . . 0.552 ' O ' ' N ' ' B' ' 16' ' ' HIS . 14.6 t60 -60.79 -45.57 93.85 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.209 -0.932 . . . . 0.0 109.655 179.586 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 23.9 tp10 -61.04 -42.85 99.26 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.04 -1.038 . . . . 0.0 110.336 -179.182 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp -62.57 -30.54 71.39 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.479 -0.763 . . . . 0.0 112.894 -178.677 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 49.3 m-85 -137.75 -6.54 1.69 Allowed 'General case' 0 N--CA 1.505 2.288 0 O-C-N 120.734 -1.228 . . . . 0.0 112.333 -176.905 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.552 ' N ' ' O ' ' B' ' 12' ' ' HIS . 82.1 m-70 52.89 42.74 32.09 Favored 'General case' 0 N--CA 1.495 1.788 0 N-CA-C 107.374 -1.343 . . . . 0.0 107.374 -177.953 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 93.6 p -65.97 157.32 31.1 Favored 'General case' 0 C--N 1.301 -1.516 0 CA-C-O 121.599 0.714 . . . . 0.0 110.485 -178.099 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -73.94 156.72 37.32 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.48 -0.763 . . . . 0.0 109.446 179.674 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 46.7 p-90 -54.87 -30.07 56.99 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.36 -0.838 . . . . 0.0 109.704 -179.724 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 82.9 mtm180 -61.9 -40.79 96.65 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.92 -1.112 . . . . 0.0 109.983 -179.865 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.93 -49.01 56.23 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.28 -0.888 . . . . 0.0 109.323 179.808 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 78.2 mtm -60.5 -40.19 90.48 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.24 -0.912 . . . . 0.0 109.573 179.886 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.464 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -58.32 -48.89 79.09 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.261 -0.899 . . . . 0.0 109.101 -179.972 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 45.3 t -70.25 -35.1 73.57 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.351 -0.843 . . . . 0.0 109.879 179.667 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 57.9 t0 -60.25 -40.6 90.84 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.278 -0.889 . . . . 0.0 110.51 -179.305 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -112.09 2.32 16.72 Favored 'General case' 0 N--CA 1.502 2.142 0 O-C-N 121.39 -0.819 . . . . 0.0 110.271 -179.878 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.464 ' N ' ' O ' ' B' ' 23' ' ' ALA . 14.6 m120 56.84 47.18 18.44 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.344 -0.847 . . . . 0.0 110.266 179.505 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 66.0 mt -112.84 152.33 44.74 Favored Pre-proline 0 N--CA 1.5 2.044 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 179.886 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -61.61 148.45 92.99 Favored 'Trans proline' 0 N--CA 1.49 1.31 0 C-N-CA 121.434 1.423 . . . . 0.0 111.538 179.974 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo -42.18 -36.7 4.24 Favored 'Trans proline' 0 C--N 1.315 -1.216 0 C-N-CA 122.091 1.861 . . . . 0.0 111.601 179.851 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 40.5 t -53.17 -50.09 48.0 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.721 0 O-C-N 121.141 -0.974 . . . . 0.0 110.579 -178.656 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 32' ' ' VAL . . . . . 0.611 HG13 HD11 ' B' ' 5' ' ' ILE . 89.8 t -66.87 -47.11 83.54 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.662 0 C-N-CA 118.649 -1.22 . . . . 0.0 109.57 -179.228 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.19 -42.59 83.94 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.568 -0.707 . . . . 0.0 110.261 179.967 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 3.2 mmmm -60.43 -37.43 80.86 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.07 -1.019 . . . . 0.0 109.874 -179.818 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 -62.46 -40.11 95.58 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.202 -0.936 . . . . 0.0 110.53 -178.596 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 61.6 mt -59.94 -40.17 82.19 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 O-C-N 120.647 -1.283 . . . . 0.0 108.102 179.821 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 60.2 t -64.13 -40.38 88.86 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 O-C-N 121.138 -0.976 . . . . 0.0 108.841 179.469 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.22 -33.88 74.21 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.521 -0.737 . . . . 0.0 109.346 179.873 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 57.9 m -77.33 -26.83 52.49 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.212 -0.93 . . . . 0.0 110.043 -178.714 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 31.2 t -81.39 105.0 12.22 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.155 -0.965 . . . . 0.0 108.975 179.623 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -60.31 -30.07 69.25 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.577 -0.702 . . . . 0.0 110.73 -178.687 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -70.44 -41.26 73.09 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 120.917 -1.114 . . . . 0.0 110.203 -179.203 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 86.0 m -87.02 -27.49 23.18 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.187 -0.946 . . . . 0.0 109.63 179.465 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -73.67 -70.05 0.4 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.095 -1.003 . . . . 0.0 109.211 -179.588 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 47.4 mt -80.54 106.94 12.94 Favored 'General case' 0 C--N 1.298 -1.653 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 179.37 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 46' ' ' LYS . . . . . 0.565 ' O ' ' N ' ' B' ' 48' ' ' GLU . 82.7 tttt -90.48 134.36 34.41 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.136 -0.977 . . . . 0.0 108.724 179.617 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -48.91 87.91 0.01 OUTLIER Glycine 0 N--CA 1.493 2.454 0 N-CA-C 109.915 -1.274 . . . . 0.0 109.915 -179.54 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 48' ' ' GLU . . . . . 0.565 ' N ' ' O ' ' B' ' 46' ' ' LYS . 20.7 pt-20 -144.66 -31.87 0.42 Allowed 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.24 -1.153 . . . . 0.0 109.114 179.845 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -86.76 110.27 19.81 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.241 -0.912 . . . . 0.0 109.326 179.956 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 21.2 ptm -173.6 -157.85 0.09 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.302 -0.874 . . . . 0.0 109.398 -179.478 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 86.5 m-70 -51.39 146.28 7.31 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.276 -0.89 . . . . 0.0 109.052 -179.727 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -141.87 80.77 0.25 Allowed Glycine 0 N--CA 1.497 2.765 0 N-CA-C 109.832 -1.307 . . . . 0.0 109.832 -179.597 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 53' ' ' GLN . . . . . 0.433 ' O ' ' O ' ' B' ' 54' ' ' VAL . 40.5 tt0 62.71 18.97 11.06 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.588 -0.948 . . . . 0.0 108.846 -179.964 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.433 ' O ' ' O ' ' B' ' 53' ' ' GLN . 4.2 t 56.64 160.58 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 121.435 -0.791 . . . . 0.0 110.116 179.546 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 48.3 p-10 . . . . . 0 N--CA 1.492 1.67 0 O-C-N 121.135 -0.978 . . . . 0.0 109.294 179.66 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.441 ' CE2' ' CE2' ' B' ' 1' ' ' PHE . 43.1 m-85 . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 121.359 0.6 . . . . 0.0 109.481 . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 73.0 mt -68.96 -38.0 79.14 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.272 -0.892 . . . . 0.0 111.247 -178.743 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 62.6 t0 -60.99 -50.31 73.91 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 120.593 -1.317 . . . . 0.0 111.468 -178.54 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.36 -43.65 92.23 Favored Glycine 0 N--CA 1.49 2.259 0 N-CA-C 109.314 -1.514 . . . . 0.0 109.314 -179.438 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.416 HD12 ' O ' ' A' ' 1' ' ' PHE . 88.1 mt -60.04 -38.58 77.35 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.499 0 O-C-N 121.616 -0.932 . . . . 0.0 110.892 -179.798 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -56.72 -47.24 80.42 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 120.505 -1.372 . . . . 0.0 108.8 -179.51 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.9 mtpp -69.15 -40.48 78.17 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.043 -1.035 . . . . 0.0 109.08 179.119 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.99 -38.05 85.33 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 119.764 -0.774 . . . . 0.0 109.565 179.843 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -55.48 -40.42 71.67 Favored 'General case' 0 C--N 1.297 -1.677 0 C-N-CA 119.676 -0.809 . . . . 0.0 109.115 -179.547 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -63.51 -43.58 96.78 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.912 -1.118 . . . . 0.0 109.557 179.079 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.0 tm-20 -60.08 -44.93 94.42 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.126 -0.983 . . . . 0.0 109.245 -179.888 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.517 ' O ' ' N ' ' A' ' 16' ' ' HIS . 15.8 t60 -61.19 -45.23 95.45 Favored 'General case' 0 C--N 1.3 -1.563 0 C-N-CA 119.191 -1.004 . . . . 0.0 109.726 179.958 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 15.0 tm-20 -61.12 -40.25 93.06 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 120.937 -1.102 . . . . 0.0 110.317 -178.94 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -65.0 -38.97 92.73 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.264 -0.897 . . . . 0.0 112.609 -178.954 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -129.98 -3.63 4.56 Favored 'General case' 0 N--CA 1.511 2.595 0 O-C-N 120.987 -1.071 . . . . 0.0 112.45 -176.488 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.517 ' N ' ' O ' ' A' ' 12' ' ' HIS . 93.1 m-70 53.85 40.36 31.45 Favored 'General case' 0 N--CA 1.497 1.916 0 N-CA-C 107.586 -1.264 . . . . 0.0 107.586 -178.114 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.5 p -59.72 154.76 17.3 Favored 'General case' 0 N--CA 1.489 1.476 0 CA-C-O 121.263 0.554 . . . . 0.0 110.475 -178.782 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -72.65 149.61 43.72 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.211 -0.931 . . . . 0.0 108.984 179.661 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 47.5 p-90 -51.22 -30.24 16.69 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 120.831 -1.168 . . . . 0.0 110.234 -179.273 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 63.1 mtp180 -63.3 -43.62 97.33 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.906 -1.121 . . . . 0.0 110.437 179.591 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.45 -46.43 66.72 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.685 -1.259 . . . . 0.0 108.446 179.901 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 22.0 mtp -60.59 -45.43 94.0 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.634 -0.667 . . . . 0.0 109.587 179.896 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.53 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -58.69 -43.04 89.87 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.301 -0.874 . . . . 0.0 109.08 179.547 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 31.2 m -70.2 -38.42 75.32 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.444 -0.785 . . . . 0.0 109.579 179.71 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 61.4 t0 -59.58 -42.21 91.99 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.202 -0.936 . . . . 0.0 110.215 -179.227 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -106.64 -2.41 21.76 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.463 -0.773 . . . . 0.0 109.561 179.894 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.53 ' N ' ' O ' ' A' ' 23' ' ' ALA . 11.8 t-20 56.52 50.04 13.68 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.499 -0.75 . . . . 0.0 109.584 179.186 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 68.2 mt -115.54 146.21 36.16 Favored Pre-proline 0 N--CA 1.5 2.033 0 O-C-N 121.609 -0.682 . . . . 0.0 109.385 179.789 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_exo -45.54 144.66 4.81 Favored 'Trans proline' 0 N--CA 1.489 1.217 0 C-N-CA 121.781 1.654 . . . . 0.0 111.585 178.927 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -44.57 -37.16 10.84 Favored 'Trans proline' 0 C--N 1.312 -1.376 0 C-N-CA 121.694 1.596 . . . . 0.0 111.729 178.986 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 48.4 t -53.73 -50.18 52.94 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.801 0 C-N-CA 120.148 -0.621 . . . . 0.0 110.086 -178.262 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 51.5 t -63.36 -50.36 79.07 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.806 0 C-N-CA 118.615 -1.234 . . . . 0.0 109.803 -178.616 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.92 -43.02 89.35 Favored 'General case' 0 N--CA 1.489 1.511 0 C-N-CA 119.079 -1.049 . . . . 0.0 109.597 179.562 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 23.8 mtpp -62.13 -37.91 86.97 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.863 -1.148 . . . . 0.0 110.415 -179.811 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.4 tm-20 -61.52 -39.87 92.57 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.016 -1.053 . . . . 0.0 110.731 -178.934 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 82.0 mt -59.71 -39.64 80.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 120.708 -1.245 . . . . 0.0 107.929 179.568 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 92.2 t -60.64 -39.95 83.15 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.231 -0.918 . . . . 0.0 108.728 178.687 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.404 ' O ' ' OE1' ' A' ' 44' ' ' GLN . . . -60.66 -31.57 70.79 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.171 -0.956 . . . . 0.0 108.661 178.714 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 63.2 m -75.55 -30.4 59.7 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.33 -0.856 . . . . 0.0 109.187 179.775 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 44.9 t -81.05 98.77 8.13 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.369 -0.832 . . . . 0.0 109.601 179.772 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -59.94 -28.87 67.99 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.547 -0.72 . . . . 0.0 110.589 -179.355 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 59.4 mttp -68.42 -38.13 80.93 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 120.843 -1.16 . . . . 0.0 110.058 -178.517 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 55.1 m -86.48 -34.79 19.95 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.386 -0.821 . . . . 0.0 110.89 -179.836 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.551 ' NE2' ' OE1' ' B' ' 44' ' ' GLN . 53.0 tt0 -70.38 -51.3 30.75 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.359 -0.838 . . . . 0.0 111.666 -177.831 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 89.4 mt -83.88 17.69 2.28 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.075 -1.016 . . . . 0.0 110.435 -178.31 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.428 ' C ' ' H ' ' A' ' 48' ' ' GLU . 85.5 tttt -80.67 115.34 20.13 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.029 -1.044 . . . . 0.0 109.53 -179.709 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 70.41 -9.49 3.29 Favored Glycine 0 N--CA 1.49 2.259 0 N-CA-C 110.043 -1.223 . . . . 0.0 110.043 179.671 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.428 ' H ' ' C ' ' A' ' 46' ' ' LYS . 94.4 mt-10 -96.78 1.13 50.45 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.295 -1.121 . . . . 0.0 109.891 -179.655 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.26 133.46 35.44 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.948 -1.095 . . . . 0.0 109.118 -179.549 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.477 ' O ' ' O ' ' B' ' 50' ' ' MET . 53.2 mtt -82.54 149.92 27.23 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.379 -0.825 . . . . 0.0 110.714 -178.987 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 72.0 m80 -100.84 134.71 43.42 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 178.972 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.952 ' H ' ' H ' ' B' ' 52' ' ' GLY . . . -89.37 145.83 18.66 Favored Glycine 0 N--CA 1.49 2.236 0 N-CA-C 109.559 -1.417 . . . . 0.0 109.559 -179.113 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 95.1 mm-40 -72.34 -145.76 0.02 OUTLIER 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.021 -1.282 . . . . 0.0 108.818 179.562 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.419 ' O ' HG12 ' A' ' 54' ' ' VAL . 18.0 t -89.8 2.01 7.21 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.982 0 O-C-N 121.115 -0.99 . . . . 0.0 109.378 -179.679 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 60.8 t0 . . . . . 0 C--N 1.296 -1.759 0 CA-C-O 118.237 -0.887 . . . . 0.0 109.731 179.815 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' B' B ' 1' ' ' PHE . . . . . 0.441 ' CE2' ' CE2' ' A' ' 1' ' ' PHE . 34.7 m-85 . . . . . 0 N--CA 1.494 1.731 0 CA-C-O 121.384 0.612 . . . . 0.0 109.566 . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 69.3 mt -70.64 -37.4 73.75 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.194 -0.941 . . . . 0.0 111.339 -178.672 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -60.37 -51.71 68.35 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 120.904 -1.123 . . . . 0.0 111.019 -178.218 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.46 -42.4 93.77 Favored Glycine 0 N--CA 1.49 2.25 0 C-N-CA 119.307 -1.425 . . . . 0.0 109.675 -179.402 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.407 ' O ' ' N ' ' B' ' 9' ' ' GLN . 83.8 mt -60.29 -39.43 80.8 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.523 0 O-C-N 121.57 -0.959 . . . . 0.0 110.356 -179.74 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 62.0 t0 -55.67 -46.99 77.48 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 120.737 -1.227 . . . . 0.0 109.306 -179.314 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -69.59 -40.22 76.82 Favored 'General case' 0 N--CA 1.492 1.628 0 C-N-CA 119.155 -1.018 . . . . 0.0 109.093 178.908 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.11 -38.09 85.03 Favored 'General case' 0 C--N 1.304 -1.401 0 C-N-CA 120.062 -0.655 . . . . 0.0 109.437 -179.939 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 9' ' ' GLN . . . . . 0.407 ' N ' ' O ' ' B' ' 5' ' ' ILE . 61.2 tt0 -56.0 -40.72 73.77 Favored 'General case' 0 C--N 1.306 -1.303 0 C-N-CA 119.707 -0.797 . . . . 0.0 108.992 -179.465 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -62.76 -43.62 98.33 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.208 -0.933 . . . . 0.0 109.664 178.931 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 13.6 tm-20 -61.08 -44.67 97.01 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.345 -0.847 . . . . 0.0 109.178 -179.643 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 12' ' ' HIS . . . . . 0.562 ' O ' ' N ' ' B' ' 16' ' ' HIS . 14.6 t60 -60.92 -45.18 95.68 Favored 'General case' 0 C--N 1.298 -1.648 0 C-N-CA 119.323 -0.951 . . . . 0.0 109.231 179.807 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 13.9 tm-20 -60.86 -41.53 96.1 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.19 -0.944 . . . . 0.0 110.081 -178.914 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 26.3 mtpp -64.04 -37.65 88.2 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.167 -0.958 . . . . 0.0 112.505 -178.739 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 46.5 m-85 -131.29 -4.6 3.83 Favored 'General case' 0 N--CA 1.508 2.464 0 O-C-N 120.719 -1.238 . . . . 0.0 112.486 -176.233 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.562 ' N ' ' O ' ' B' ' 12' ' ' HIS . 92.9 m-70 54.77 41.5 31.87 Favored 'General case' 0 N--CA 1.493 1.705 0 N-CA-C 107.468 -1.308 . . . . 0.0 107.468 -177.969 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 8.4 p -60.94 155.12 20.63 Favored 'General case' 0 N--CA 1.488 1.45 0 CA-C-O 121.191 0.52 . . . . 0.0 110.441 -179.036 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -73.31 149.95 42.28 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.299 -0.876 . . . . 0.0 108.849 179.432 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 44.5 p-90 -51.21 -30.14 16.32 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.077 -1.014 . . . . 0.0 110.493 -178.963 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 62.4 mtp180 -63.25 -43.35 98.27 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.692 -1.255 . . . . 0.0 110.516 179.849 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.17 -47.42 64.98 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 120.942 -1.099 . . . . 0.0 108.372 -179.907 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 26.1 mtp -59.5 -44.73 93.03 Favored 'General case' 0 C--N 1.293 -1.865 0 CA-C-O 121.502 0.668 . . . . 0.0 110.146 179.2 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.532 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -59.71 -42.55 93.3 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.088 -1.007 . . . . 0.0 109.16 179.529 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 47.2 m -70.46 -38.48 74.46 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.293 -0.879 . . . . 0.0 109.913 179.514 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -59.7 -42.27 92.64 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.393 -0.817 . . . . 0.0 110.015 -179.21 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -106.06 -3.05 22.02 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 121.393 -0.817 . . . . 0.0 109.653 179.793 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.532 ' N ' ' O ' ' B' ' 23' ' ' ALA . 15.4 t-20 57.41 49.84 12.33 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.584 -0.698 . . . . 0.0 110.048 179.594 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 65.3 mt -115.15 148.11 39.93 Favored Pre-proline 0 N--CA 1.503 2.195 0 O-C-N 121.314 -0.866 . . . . 0.0 109.812 -179.986 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -47.14 145.4 7.69 Favored 'Trans proline' 0 N--CA 1.488 1.189 0 C-N-CA 121.648 1.566 . . . . 0.0 111.676 178.475 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -44.96 -37.51 12.41 Favored 'Trans proline' 0 N--CA 1.488 1.179 0 C-N-CA 121.906 1.737 . . . . 0.0 111.541 179.237 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 47.2 t -53.63 -49.88 53.68 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.814 0 O-C-N 121.684 -0.635 . . . . 0.0 110.664 -178.628 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 61.2 t -63.44 -50.0 80.39 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.749 0 C-N-CA 118.441 -1.303 . . . . 0.0 109.747 -178.758 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.41 -43.09 86.71 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 120.94 -1.1 . . . . 0.0 109.876 179.661 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 23.8 mtpp -62.19 -37.82 86.77 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.972 -1.08 . . . . 0.0 110.253 179.871 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.1 tm-20 -61.65 -39.72 92.35 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.873 -1.142 . . . . 0.0 110.637 -179.025 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 78.2 mt -60.05 -38.9 78.69 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 120.854 -1.154 . . . . 0.0 108.034 179.55 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 85.4 t -61.6 -40.18 85.71 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.478 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 179.089 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 38' ' ' ALA . . . . . 0.547 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -60.5 -30.55 69.79 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.241 -0.912 . . . . 0.0 108.857 178.717 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 49.8 m -76.52 -29.63 56.83 Favored 'General case' 0 C--N 1.302 -1.486 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 179.933 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 44.4 t -81.6 98.54 8.39 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.467 -0.771 . . . . 0.0 109.223 179.764 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -59.58 -29.45 67.96 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.366 -0.834 . . . . 0.0 110.185 -179.644 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 58.6 mttp -68.2 -38.01 81.52 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.25 -0.907 . . . . 0.0 110.302 -178.457 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 54.9 m -86.75 -33.72 19.87 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 120.991 -1.068 . . . . 0.0 110.847 -179.496 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 44' ' ' GLN . . . . . 0.551 ' OE1' ' NE2' ' A' ' 44' ' ' GLN . 6.5 tt0 -71.32 -50.59 30.89 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.165 -0.96 . . . . 0.0 111.595 -177.985 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 86.2 mt -84.03 17.86 2.29 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.097 -1.002 . . . . 0.0 110.367 -178.565 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 46' ' ' LYS . . . . . 0.432 ' C ' ' H ' ' B' ' 48' ' ' GLU . 85.2 tttt -80.96 116.22 20.82 Favored 'General case' 0 C--N 1.296 -1.729 0 O-C-N 121.235 -0.916 . . . . 0.0 109.621 179.842 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 68.95 -7.28 3.18 Favored Glycine 0 N--CA 1.489 2.229 0 N-CA-C 109.954 -1.259 . . . . 0.0 109.954 179.603 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 48' ' ' GLU . . . . . 0.432 ' H ' ' C ' ' B' ' 46' ' ' LYS . 93.3 mt-10 -98.51 -2.28 39.2 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.231 -1.158 . . . . 0.0 109.524 -179.979 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -77.14 132.27 38.73 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.043 -1.036 . . . . 0.0 109.402 -179.934 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 50' ' ' MET . . . . . 0.477 ' O ' ' O ' ' A' ' 50' ' ' MET . 55.2 mtt -82.19 151.34 26.94 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.507 -0.746 . . . . 0.0 110.802 -178.956 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 72.2 m80 -102.43 134.97 44.89 Favored 'General case' 0 N--CA 1.496 1.85 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 178.995 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 52' ' ' GLY . . . . . 0.952 ' H ' ' H ' ' A' ' 52' ' ' GLY . . . -88.0 147.52 20.37 Favored Glycine 0 N--CA 1.495 2.569 0 N-CA-C 109.575 -1.41 . . . . 0.0 109.575 -179.405 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 95.5 mm-40 -74.79 -143.79 0.02 OUTLIER 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.001 -1.293 . . . . 0.0 108.521 179.353 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.411 ' O ' HG12 ' B' ' 54' ' ' VAL . 16.1 t -91.86 0.61 9.22 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.818 0 O-C-N 121.136 -0.978 . . . . 0.0 109.137 -179.785 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 64.6 t0 . . . . . 0 C--N 1.296 -1.727 0 CA-C-O 117.867 -1.063 . . . . 0.0 109.111 179.422 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.55 ' O ' HD12 ' A' ' 5' ' ' ILE . 95.6 m-85 . . . . . 0 N--CA 1.488 1.435 0 CA-C-O 121.624 0.726 . . . . 0.0 109.523 . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 25.2 mt -72.53 -35.58 68.09 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.548 -0.72 . . . . 0.0 111.669 -178.414 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 61.3 t0 -66.34 -50.7 62.68 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 120.723 -1.235 . . . . 0.0 111.558 -178.478 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.19 -45.59 79.62 Favored Glycine 0 N--CA 1.489 2.188 0 N-CA-C 109.536 -1.426 . . . . 0.0 109.536 -179.035 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.55 HD12 ' O ' ' A' ' 1' ' ' PHE . 89.7 mt -59.54 -39.96 80.72 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.575 0 O-C-N 121.692 -0.887 . . . . 0.0 110.267 179.903 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -54.65 -46.33 73.97 Favored 'General case' 0 C--N 1.297 -1.678 0 C-N-CA 119.173 -1.011 . . . . 0.0 109.235 -179.496 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -69.93 -41.78 74.16 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.782 -1.199 . . . . 0.0 109.187 178.791 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.36 -35.77 80.03 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.391 -0.818 . . . . 0.0 109.593 179.912 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.409 ' N ' ' O ' ' A' ' 5' ' ' ILE . 59.8 tt0 -59.06 -41.29 87.56 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.281 -0.887 . . . . 0.0 109.655 -179.361 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -60.89 -40.41 92.92 Favored 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 118.743 -1.183 . . . . 0.0 108.748 179.433 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.9 tm-20 -61.19 -40.67 94.79 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.136 -0.978 . . . . 0.0 109.03 179.047 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.518 ' O ' ' N ' ' A' ' 16' ' ' HIS . 16.4 t60 -60.88 -48.17 83.03 Favored 'General case' 0 C--N 1.305 -1.334 0 C-N-CA 119.362 -0.935 . . . . 0.0 109.182 179.277 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -60.25 -40.09 89.07 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.121 -0.987 . . . . 0.0 110.04 -179.55 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt -64.05 -35.08 79.54 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.122 -0.986 . . . . 0.0 112.603 -179.48 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 51.7 m-85 -136.01 -3.75 2.23 Favored 'General case' 0 N--CA 1.511 2.59 0 O-C-N 120.535 -1.353 . . . . 0.0 113.026 -176.908 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.518 ' N ' ' O ' ' A' ' 12' ' ' HIS . 87.8 m-70 53.7 42.68 31.77 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.571 -1.33 . . . . 0.0 107.455 -178.284 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 88.3 p -67.72 156.43 36.98 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.501 -0.75 . . . . 0.0 110.618 -178.393 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -72.74 160.28 32.46 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.517 -0.739 . . . . 0.0 109.03 179.608 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 41.0 p-90 -58.64 -30.75 67.54 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.293 -0.879 . . . . 0.0 110.658 -178.906 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -62.52 -39.97 95.26 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 120.762 -1.211 . . . . 0.0 109.987 179.984 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.85 -49.06 61.53 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 121.251 -0.906 . . . . 0.0 109.594 -179.566 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 77.9 mtm -60.59 -40.06 90.37 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.991 -1.068 . . . . 0.0 109.434 179.717 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.515 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -56.64 -45.65 81.47 Favored 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 119.507 -0.877 . . . . 0.0 109.351 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 15.2 t -69.42 -37.57 77.5 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.288 -0.883 . . . . 0.0 110.345 179.908 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -60.57 -39.63 88.71 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.305 -0.872 . . . . 0.0 110.719 -179.056 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -112.23 -0.49 15.48 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.376 -0.828 . . . . 0.0 109.665 -179.628 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.515 ' N ' ' O ' ' A' ' 23' ' ' ALA . 91.8 m-20 54.84 49.15 18.49 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.64 -0.663 . . . . 0.0 109.614 179.655 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 85.9 mt -112.37 153.42 44.83 Favored Pre-proline 0 N--CA 1.496 1.829 0 N-CA-C 108.45 -0.945 . . . . 0.0 108.45 -179.937 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -60.55 150.62 80.59 Favored 'Trans proline' 0 N--CA 1.492 1.399 0 C-N-CA 121.427 1.418 . . . . 0.0 111.27 179.923 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.463 ' O ' ' CG ' ' A' ' 34' ' ' LYS . 23.7 Cg_exo -44.69 -33.69 7.28 Favored 'Trans proline' 0 C--N 1.311 -1.446 0 C-N-CA 121.939 1.759 . . . . 0.0 111.604 179.36 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.457 HG11 HD11 ' B' ' 5' ' ' ILE . 84.9 t -55.43 -49.05 76.02 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.655 0 O-C-N 121.294 -0.879 . . . . 0.0 110.532 -177.836 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.436 HG13 HD11 ' A' ' 5' ' ' ILE . 59.7 t -67.95 -47.5 78.78 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.749 0 C-N-CA 118.115 -1.434 . . . . 0.0 109.309 -179.067 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.99 -41.07 87.38 Favored 'General case' 0 C--N 1.301 -1.526 0 C-N-CA 119.654 -0.818 . . . . 0.0 110.278 -179.797 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.463 ' CG ' ' O ' ' A' ' 30' ' ' PRO . 13.6 mmmt -62.51 -39.51 93.77 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.067 -1.021 . . . . 0.0 109.593 179.899 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.7 tm-20 -60.54 -39.68 88.8 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.357 -0.839 . . . . 0.0 110.559 -178.919 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 47.9 mt -59.59 -39.82 80.44 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 120.728 -1.232 . . . . 0.0 108.674 -179.583 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 78.3 t -60.72 -39.72 82.59 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.179 -0.951 . . . . 0.0 108.622 179.27 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.503 ' O ' ' NE2' ' A' ' 44' ' ' GLN . . . -61.2 -30.76 70.62 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.523 -0.735 . . . . 0.0 109.608 179.528 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.7 m -74.53 -33.43 62.77 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.413 -0.804 . . . . 0.0 109.066 -179.618 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 41.8 t -81.13 103.14 10.73 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.281 -0.887 . . . . 0.0 109.314 179.807 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -61.91 -29.93 70.55 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.245 -0.91 . . . . 0.0 109.94 -179.841 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 50.0 mtpt -68.78 -40.32 79.73 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.176 -0.953 . . . . 0.0 110.262 -178.647 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 80.1 m -84.89 -26.5 27.27 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.639 -1.288 . . . . 0.0 109.714 179.125 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.503 ' NE2' ' O ' ' A' ' 38' ' ' ALA . 7.1 tt0 -77.85 -71.64 0.41 Allowed 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 179.395 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 31.6 mt -83.88 104.09 13.68 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 107.871 -1.159 . . . . 0.0 107.871 178.376 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -90.07 -2.13 58.06 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.174 -0.954 . . . . 0.0 110.326 -178.635 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 115.16 68.56 0.45 Allowed Glycine 0 N--CA 1.498 2.782 0 N-CA-C 109.836 -1.306 . . . . 0.0 109.836 179.581 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -83.83 124.21 30.71 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.217 -1.166 . . . . 0.0 108.6 179.088 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -100.81 160.33 14.45 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.168 -0.958 . . . . 0.0 110.843 -179.192 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.409 ' CG ' ' H ' ' A' ' 51' ' ' HIS . 8.1 tpt -141.83 -128.55 0.1 Allowed 'General case' 0 N--CA 1.489 1.483 0 CA-C-O 121.227 0.536 . . . . 0.0 109.607 179.978 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.409 ' H ' ' CG ' ' A' ' 50' ' ' MET . 45.0 m-70 47.71 -99.62 0.05 Allowed 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.378 -0.826 . . . . 0.0 109.836 -179.485 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 81.75 -79.81 1.81 Allowed Glycine 0 N--CA 1.493 2.466 0 O-C-N 120.789 -1.194 . . . . 0.0 110.178 179.894 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.476 ' O ' ' O ' ' A' ' 54' ' ' VAL . 77.9 mt-30 -83.44 9.38 11.25 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.144 -1.209 . . . . 0.0 109.703 -179.879 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.476 ' O ' ' O ' ' A' ' 53' ' ' GLN . 2.6 t 56.12 157.43 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.893 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 -179.296 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 62.2 t0 . . . . . 0 N--CA 1.497 1.922 0 O-C-N 120.68 -1.262 . . . . 0.0 108.996 179.884 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' B' B ' 1' ' ' PHE . . . . . 0.576 ' O ' HD12 ' B' ' 5' ' ' ILE . 96.8 m-85 . . . . . 0 N--CA 1.491 1.591 0 CA-C-O 121.665 0.745 . . . . 0.0 109.788 . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 25.4 mt -74.09 -36.48 64.28 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.495 -0.753 . . . . 0.0 111.776 -178.116 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 54.6 t0 -66.12 -50.34 64.37 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 120.794 -1.192 . . . . 0.0 111.952 -178.129 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.13 -44.64 65.58 Favored Glycine 0 N--CA 1.486 2.019 0 N-CA-C 109.347 -1.501 . . . . 0.0 109.347 -178.821 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.576 HD12 ' O ' ' B' ' 1' ' ' PHE . 91.7 mt -59.76 -38.7 77.2 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.691 0 O-C-N 121.563 -0.963 . . . . 0.0 110.045 179.758 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -55.78 -45.81 78.07 Favored 'General case' 0 C--N 1.301 -1.502 0 C-N-CA 118.901 -1.12 . . . . 0.0 109.029 -179.384 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -69.68 -42.7 73.78 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 120.869 -1.144 . . . . 0.0 109.323 178.951 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.87 -35.88 81.04 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.273 -0.892 . . . . 0.0 109.663 179.935 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -58.91 -40.62 85.06 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.309 -0.869 . . . . 0.0 109.656 -179.062 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -61.29 -39.83 91.88 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 120.884 -1.135 . . . . 0.0 108.575 178.952 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 14.9 tm-20 -62.05 -42.49 99.23 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.285 -0.885 . . . . 0.0 109.071 179.193 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 12' ' ' HIS . . . . . 0.524 ' O ' ' N ' ' B' ' 16' ' ' HIS . 14.7 t60 -60.01 -46.53 89.18 Favored 'General case' 0 C--N 1.303 -1.452 0 C-N-CA 119.193 -1.003 . . . . 0.0 108.989 179.762 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -60.55 -39.79 89.23 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.43 -0.794 . . . . 0.0 110.307 -179.911 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -66.03 -30.64 71.21 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.191 -0.943 . . . . 0.0 112.578 -178.902 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -139.4 -4.99 1.43 Allowed 'General case' 0 N--CA 1.508 2.441 0 O-C-N 120.469 -1.395 . . . . 0.0 112.82 -176.87 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.524 ' N ' ' O ' ' B' ' 12' ' ' HIS . 89.8 m-70 54.45 43.2 30.73 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.567 -1.333 . . . . 0.0 107.755 -177.914 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 77.6 p -68.17 155.08 40.38 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.609 -0.682 . . . . 0.0 110.645 -178.865 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -71.31 158.65 35.98 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.603 -0.685 . . . . 0.0 109.494 179.659 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 38.5 p-90 -56.96 -30.45 64.09 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.264 -0.897 . . . . 0.0 110.445 -179.256 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -63.68 -39.91 95.49 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.958 -1.089 . . . . 0.0 110.214 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.37 -47.79 63.21 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.227 -0.921 . . . . 0.0 109.639 -179.277 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 77.3 mtm -61.77 -39.94 93.4 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.136 -0.977 . . . . 0.0 109.372 179.391 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.511 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -56.89 -44.84 82.71 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.432 -0.793 . . . . 0.0 109.11 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 12.6 t -69.97 -38.55 76.12 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.317 -0.864 . . . . 0.0 109.707 179.773 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -59.76 -37.36 78.79 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.394 -0.816 . . . . 0.0 111.029 -179.135 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -114.05 -1.94 13.62 Favored 'General case' 0 N--CA 1.5 2.06 0 O-C-N 121.171 -0.956 . . . . 0.0 109.771 -179.464 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.511 ' N ' ' O ' ' B' ' 23' ' ' ALA . 89.5 m-20 55.48 48.13 19.54 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.619 -0.675 . . . . 0.0 109.347 179.886 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 82.8 mt -112.17 152.46 44.42 Favored Pre-proline 0 N--CA 1.499 1.975 0 N-CA-C 108.215 -1.031 . . . . 0.0 108.215 179.732 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -59.99 151.53 71.34 Favored 'Trans proline' 0 N--CA 1.494 1.528 0 C-N-CA 121.604 1.536 . . . . 0.0 111.788 179.677 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 30' ' ' PRO . . . . . 0.482 ' O ' ' CG ' ' B' ' 34' ' ' LYS . 24.2 Cg_exo -45.31 -33.38 8.67 Favored 'Trans proline' 0 C--N 1.31 -1.491 0 C-N-CA 122.052 1.834 . . . . 0.0 111.97 179.388 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.448 HG11 HD11 ' A' ' 5' ' ' ILE . 85.7 t -56.23 -49.49 76.06 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.614 0 C-N-CA 119.513 -0.875 . . . . 0.0 110.522 -177.802 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 32' ' ' VAL . . . . . 0.436 HG13 HD11 ' B' ' 5' ' ' ILE . 57.4 t -67.74 -48.1 77.23 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.664 0 C-N-CA 118.432 -1.307 . . . . 0.0 109.424 -178.813 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.52 -41.08 89.35 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.284 -0.885 . . . . 0.0 110.045 179.93 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.482 ' CG ' ' O ' ' B' ' 30' ' ' PRO . 13.5 mmmt -62.04 -39.84 93.73 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 120.988 -1.07 . . . . 0.0 109.786 179.848 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 12.8 tm-20 -60.48 -38.96 85.97 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.152 -0.967 . . . . 0.0 110.821 -178.927 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 49.2 mt -60.17 -39.87 81.85 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 O-C-N 120.963 -1.086 . . . . 0.0 108.158 -179.641 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 73.7 t -60.11 -39.9 81.81 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.479 0 O-C-N 121.132 -0.98 . . . . 0.0 108.615 179.177 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 38' ' ' ALA . . . . . 0.455 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -61.9 -30.01 70.59 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.639 -0.663 . . . . 0.0 109.469 179.452 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 34.5 m -75.28 -33.04 61.2 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.127 -0.983 . . . . 0.0 108.985 -179.473 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 41.4 t -80.95 101.84 9.74 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.425 -0.797 . . . . 0.0 109.572 179.743 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 83.1 m-20 -61.2 -29.26 69.7 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.566 -0.709 . . . . 0.0 109.625 -179.843 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 48.2 mtpt -69.71 -39.96 76.57 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.106 -0.996 . . . . 0.0 110.202 -178.697 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 65.6 m -84.65 -28.18 26.61 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 120.657 -1.277 . . . . 0.0 109.319 179.426 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 44' ' ' GLN . . . . . 0.455 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 6.9 tt0 -76.79 -71.24 0.41 Allowed 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.062 -1.024 . . . . 0.0 108.778 179.606 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 34.8 mt -83.83 103.37 13.05 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 107.619 -1.252 . . . . 0.0 107.619 178.527 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -89.52 -1.86 58.17 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.154 -0.966 . . . . 0.0 110.247 -178.543 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 115.63 67.16 0.42 Allowed Glycine 0 N--CA 1.498 2.776 0 N-CA-C 109.993 -1.243 . . . . 0.0 109.993 179.657 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -82.62 123.75 29.53 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 120.944 -1.327 . . . . 0.0 108.906 179.187 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -100.15 160.54 14.24 Favored 'General case' 0 N--CA 1.502 2.141 0 O-C-N 121.329 -0.857 . . . . 0.0 110.664 -179.381 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 50' ' ' MET . . . . . 0.41 ' CG ' ' H ' ' B' ' 51' ' ' HIS . 7.3 tpt -142.24 -128.7 0.09 Allowed 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 -179.965 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 51' ' ' HIS . . . . . 0.41 ' H ' ' CG ' ' B' ' 50' ' ' MET . 34.7 m-70 48.3 -102.08 0.08 Allowed 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.34 -0.85 . . . . 0.0 109.571 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 83.19 -80.34 1.83 Allowed Glycine 0 N--CA 1.496 2.67 0 N-CA-C 109.54 -1.424 . . . . 0.0 109.54 179.889 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 53' ' ' GLN . . . . . 0.506 ' O ' ' O ' ' B' ' 54' ' ' VAL . 77.2 mt-30 -83.47 9.92 10.08 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.364 -1.08 . . . . 0.0 109.621 179.826 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.506 ' O ' ' O ' ' B' ' 53' ' ' GLN . 2.7 t 54.72 159.12 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.732 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 -179.669 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 62.4 t0 . . . . . 0 N--CA 1.497 1.892 0 O-C-N 120.354 -1.466 . . . . 0.0 108.88 179.412 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.469 ' CZ ' ' CZ ' ' B' ' 1' ' ' PHE . 45.1 m-85 . . . . . 0 N--CA 1.484 1.261 0 CA-C-O 121.357 0.599 . . . . 0.0 109.828 . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 43.9 mt -69.92 -39.68 76.0 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.339 -0.851 . . . . 0.0 110.994 -178.504 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -63.63 -44.92 92.5 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 120.836 -1.165 . . . . 0.0 110.624 -178.721 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.06 -46.68 50.09 Favored Glycine 0 N--CA 1.492 2.406 0 N-CA-C 109.912 -1.275 . . . . 0.0 109.912 -179.937 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.454 HD11 HG11 ' B' ' 31' ' ' VAL . 82.2 mt -59.98 -39.69 80.93 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 121.645 -0.915 . . . . 0.0 110.197 -179.914 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 61.3 t0 -55.11 -46.55 75.57 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.947 -1.096 . . . . 0.0 109.255 -179.39 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -69.96 -42.92 72.52 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.733 -1.229 . . . . 0.0 109.032 178.474 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.21 -36.4 84.06 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.192 -0.942 . . . . 0.0 109.547 -179.897 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.432 ' N ' ' O ' ' A' ' 5' ' ' ILE . 55.4 tt0 -56.32 -42.37 77.53 Favored 'General case' 0 C--N 1.303 -1.426 0 C-N-CA 119.689 -0.804 . . . . 0.0 109.459 -179.648 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 79.9 tt0 -60.8 -40.76 93.9 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.996 -1.065 . . . . 0.0 108.74 178.914 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 15.6 tm-20 -60.48 -41.46 94.26 Favored 'General case' 0 N--CA 1.487 1.398 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 179.435 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.579 ' O ' ' N ' ' A' ' 16' ' ' HIS . 12.9 t60 -61.8 -47.93 82.91 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.186 -0.946 . . . . 0.0 109.815 179.624 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 52.0 tp10 -60.25 -42.48 95.42 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.113 -0.992 . . . . 0.0 110.564 -179.176 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -61.24 -37.45 83.11 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.312 -0.867 . . . . 0.0 112.267 -178.436 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -134.89 -0.89 2.76 Favored 'General case' 0 N--CA 1.505 2.296 0 O-C-N 120.909 -1.12 . . . . 0.0 112.592 -176.722 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.579 ' N ' ' O ' ' A' ' 12' ' ' HIS . 91.0 m-70 52.33 41.26 30.46 Favored 'General case' 0 N--CA 1.501 2.105 0 O-C-N 120.431 -1.418 . . . . 0.0 107.361 -177.99 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 64.5 p -60.32 156.39 15.79 Favored 'General case' 0 C--N 1.303 -1.434 0 CA-C-O 121.523 0.678 . . . . 0.0 110.502 -178.154 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 65.8 m-20 -73.23 158.87 34.37 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.575 -0.703 . . . . 0.0 109.273 -179.721 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.516 ' NE1' ' NH1' ' A' ' 20' ' ' ARG . 18.9 p-90 -56.74 -28.68 61.53 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.342 -0.849 . . . . 0.0 109.432 179.747 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.516 ' NH1' ' NE1' ' A' ' 19' ' ' TRP . 7.3 mtt-85 -63.09 -41.1 99.32 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.207 -0.933 . . . . 0.0 109.39 -179.644 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.0 -48.49 62.95 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.416 -0.802 . . . . 0.0 110.172 -179.238 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 79.0 mtm -61.12 -40.26 93.11 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.129 -0.982 . . . . 0.0 109.81 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.495 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -59.74 -48.53 81.32 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.217 -0.927 . . . . 0.0 109.492 -179.813 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 49.1 m -69.43 -36.6 76.82 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.447 -0.783 . . . . 0.0 110.228 179.843 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -60.22 -38.92 84.84 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.009 -1.057 . . . . 0.0 110.857 -178.592 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -114.19 -0.72 13.85 Favored 'General case' 0 N--CA 1.504 2.226 0 O-C-N 121.186 -0.946 . . . . 0.0 109.702 -179.902 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.495 ' N ' ' O ' ' A' ' 23' ' ' ALA . 51.8 t30 57.63 49.26 12.8 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.516 -0.74 . . . . 0.0 110.32 179.097 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 29.9 mt -114.24 149.1 41.5 Favored Pre-proline 0 N--CA 1.501 2.12 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 179.415 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_exo -49.31 147.16 12.35 Favored 'Trans proline' 0 N--CA 1.492 1.433 0 C-N-CA 121.409 1.406 . . . . 0.0 111.511 179.376 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -44.57 -38.69 12.42 Favored 'Trans proline' 0 C--N 1.315 -1.21 0 C-N-CA 121.765 1.644 . . . . 0.0 111.42 179.459 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.421 HG11 HD11 ' B' ' 5' ' ' ILE . 66.6 t -51.0 -47.48 30.43 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.726 0 O-C-N 121.786 -0.571 . . . . 0.0 110.223 -178.561 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 40.3 t -65.89 -48.46 81.9 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.919 0 C-N-CA 118.256 -1.378 . . . . 0.0 109.727 -179.245 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.61 -45.67 82.23 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.444 -0.785 . . . . 0.0 109.787 179.916 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.436 ' NZ ' ' OE2' ' B' ' 35' ' ' GLU . 7.8 mtmp? -61.91 -36.48 81.47 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.016 -1.053 . . . . 0.0 110.146 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -60.15 -38.11 82.16 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.911 -1.118 . . . . 0.0 109.774 -178.998 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 70.1 mt -59.39 -39.97 80.41 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.465 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 179.309 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 60.4 t -62.44 -37.89 79.93 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 179.124 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.438 ' O ' ' OE1' ' A' ' 44' ' ' GLN . . . -60.43 -34.06 73.43 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.158 -0.964 . . . . 0.0 109.283 179.214 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 51.0 m -77.17 -24.24 51.48 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.981 -1.075 . . . . 0.0 109.922 -179.744 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 42.2 t -83.03 106.76 15.11 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.103 -0.998 . . . . 0.0 109.561 -179.951 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -61.76 -32.19 72.43 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.217 -0.927 . . . . 0.0 110.431 -179.943 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 25.3 mtpp -69.88 -44.1 70.45 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.081 -1.012 . . . . 0.0 111.14 -178.478 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 89.4 m -82.5 -31.87 29.06 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.8 -1.188 . . . . 0.0 109.959 179.898 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.438 ' OE1' ' O ' ' A' ' 38' ' ' ALA . 42.6 tt0 -70.11 -48.58 56.96 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.116 -0.99 . . . . 0.0 110.994 -178.754 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.6 mt -83.23 20.09 1.35 Allowed 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.004 -1.06 . . . . 0.0 110.009 -179.11 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 26.3 ttpp -85.35 127.48 34.36 Favored 'General case' 0 C--N 1.295 -1.763 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 179.081 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 132.75 -141.21 12.56 Favored Glycine 0 N--CA 1.498 2.786 0 N-CA-C 108.824 -1.71 . . . . 0.0 108.824 -179.263 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.451 ' N ' ' OE1' ' A' ' 48' ' ' GLU . 52.1 mp0 -87.78 132.81 34.02 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 120.866 -1.373 . . . . 0.0 109.529 179.779 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.443 ' HB2' ' O ' ' A' ' 48' ' ' GLU . . . 178.94 66.45 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.352 0 O-C-N 121.321 -0.862 . . . . 0.0 109.356 -179.611 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 25.2 ptt? -171.08 170.29 6.23 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.086 -1.009 . . . . 0.0 109.453 -179.911 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 73.3 t60 52.89 48.23 22.91 Favored 'General case' 0 N--CA 1.486 1.367 0 O-C-N 121.443 -0.786 . . . . 0.0 109.358 -179.913 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.428 ' H ' ' H ' ' B' ' 51' ' ' HIS . . . -83.14 -50.18 4.68 Favored Glycine 0 N--CA 1.492 2.409 0 N-CA-C 109.413 -1.475 . . . . 0.0 109.413 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 -83.29 170.32 14.75 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.159 -1.201 . . . . 0.0 109.437 179.812 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.0 t 62.39 157.57 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.82 0 O-C-N 121.507 -0.746 . . . . 0.0 109.176 -179.583 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 . . . . . 0 N--CA 1.492 1.674 0 CA-C-O 117.837 -1.078 . . . . 0.0 109.251 -179.987 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' B' B ' 1' ' ' PHE . . . . . 0.469 ' CZ ' ' CZ ' ' A' ' 1' ' ' PHE . 42.3 m-85 . . . . . 0 N--CA 1.49 1.535 0 CA-C-O 121.447 0.642 . . . . 0.0 109.599 . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 43.8 mt -70.23 -39.94 74.78 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.352 -0.842 . . . . 0.0 111.192 -178.821 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -64.46 -44.68 90.31 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.785 -1.197 . . . . 0.0 110.518 -178.701 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.64 -47.22 50.56 Favored Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.672 -1.371 . . . . 0.0 109.672 -179.719 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.437 HD12 ' O ' ' B' ' 1' ' ' PHE . 80.5 mt -59.59 -38.69 76.76 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.619 -0.93 . . . . 0.0 110.112 -179.954 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 59.0 t0 -56.35 -45.96 80.19 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 120.968 -1.082 . . . . 0.0 109.448 -179.24 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -70.25 -42.7 71.85 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.133 -0.979 . . . . 0.0 108.953 178.243 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.43 -37.72 87.74 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.239 -0.913 . . . . 0.0 109.498 179.824 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 -55.68 -41.84 74.29 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.326 -0.859 . . . . 0.0 109.291 -179.279 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 80.1 tt0 -61.26 -40.07 92.7 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.024 -1.047 . . . . 0.0 108.579 178.929 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 -61.19 -42.43 98.56 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.3 -0.875 . . . . 0.0 108.907 179.17 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 12' ' ' HIS . . . . . 0.59 ' O ' ' N ' ' B' ' 16' ' ' HIS . 12.4 t60 -60.77 -48.27 82.58 Favored 'General case' 0 C--N 1.305 -1.331 0 O-C-N 121.373 -0.829 . . . . 0.0 109.778 179.532 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 50.0 tp10 -60.09 -41.24 92.06 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.853 -1.154 . . . . 0.0 110.846 -179.165 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -61.82 -38.77 89.41 Favored 'General case' 0 C--N 1.299 -1.629 0 O-C-N 121.108 -0.995 . . . . 0.0 112.244 -178.412 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -133.21 -1.47 3.23 Favored 'General case' 0 N--CA 1.506 2.352 0 O-C-N 121.114 -0.991 . . . . 0.0 112.92 -176.506 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.59 ' N ' ' O ' ' B' ' 12' ' ' HIS . 90.7 m-70 52.85 42.34 31.95 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 120.305 -1.497 . . . . 0.0 107.347 -177.833 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 79.4 p -61.3 155.94 19.98 Favored 'General case' 0 C--N 1.3 -1.565 0 CA-C-O 121.529 0.68 . . . . 0.0 110.701 -178.249 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 67.7 m-20 -72.55 159.93 33.11 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.226 -0.921 . . . . 0.0 109.454 -179.936 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 19' ' ' TRP . . . . . 0.515 ' NE1' ' NH1' ' B' ' 20' ' ' ARG . 19.8 p-90 -57.68 -28.99 64.28 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.098 -1.001 . . . . 0.0 109.402 179.616 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 20' ' ' ARG . . . . . 0.519 ' HG2' HH11 ' B' ' 20' ' ' ARG . 7.8 mtt-85 -62.49 -41.34 98.74 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.18 -0.95 . . . . 0.0 109.282 -179.466 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.7 -48.79 62.97 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.462 -0.774 . . . . 0.0 110.087 -179.483 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 79.3 mtm -60.97 -39.96 91.55 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.027 -1.045 . . . . 0.0 109.658 -179.753 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.503 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -60.01 -48.76 80.36 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.089 -1.007 . . . . 0.0 109.61 -179.94 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 44.9 m -69.73 -34.84 74.41 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.324 -0.86 . . . . 0.0 110.275 179.692 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -61.12 -39.91 91.8 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.939 -1.101 . . . . 0.0 110.471 -178.539 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -113.31 -1.12 14.34 Favored 'General case' 0 N--CA 1.502 2.172 0 O-C-N 121.186 -0.946 . . . . 0.0 109.804 -179.959 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.503 ' N ' ' O ' ' B' ' 23' ' ' ALA . 49.2 t30 58.14 49.52 11.28 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.425 -0.797 . . . . 0.0 110.375 179.121 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 29.8 mt -114.08 149.76 42.47 Favored Pre-proline 0 N--CA 1.498 1.966 0 O-C-N 121.536 -0.728 . . . . 0.0 109.086 179.149 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_exo -49.36 145.54 15.55 Favored 'Trans proline' 0 N--CA 1.491 1.338 0 C-N-CA 121.281 1.32 . . . . 0.0 111.543 179.0 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -44.26 -37.41 10.14 Favored 'Trans proline' 0 C--N 1.313 -1.298 0 C-N-CA 121.783 1.655 . . . . 0.0 111.389 179.829 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.454 HG11 HD11 ' A' ' 5' ' ' ILE . 78.4 t -51.71 -47.68 38.55 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.83 0 O-C-N 121.554 -0.716 . . . . 0.0 110.065 -178.783 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 33.7 t -65.59 -48.84 81.21 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.762 0 C-N-CA 118.379 -1.328 . . . . 0.0 109.528 -179.457 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.81 -45.89 84.32 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.315 -0.866 . . . . 0.0 109.689 -179.879 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 7.8 mtmp? -62.54 -36.3 82.18 Favored 'General case' 0 N--CA 1.484 1.241 0 O-C-N 120.935 -1.103 . . . . 0.0 110.351 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 35' ' ' GLU . . . . . 0.436 ' OE2' ' NZ ' ' A' ' 34' ' ' LYS . 7.8 tm-20 -60.33 -37.79 81.7 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.013 -1.054 . . . . 0.0 109.522 -178.922 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 67.6 mt -59.76 -39.8 80.78 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.277 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 179.214 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 59.3 t -62.65 -38.02 80.51 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.385 0 O-C-N 121.139 -0.976 . . . . 0.0 108.474 179.514 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 38' ' ' ALA . . . . . 0.58 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -60.12 -35.35 75.06 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.308 -0.87 . . . . 0.0 109.15 179.318 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 48.8 m -75.55 -24.5 56.72 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.812 -1.18 . . . . 0.0 109.858 -179.741 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 40.5 t -82.86 106.48 14.73 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.024 -1.047 . . . . 0.0 109.837 -179.773 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 -61.41 -33.19 73.27 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.546 -0.721 . . . . 0.0 110.393 -179.974 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 25.1 mtpp -69.18 -44.92 71.21 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.973 -1.08 . . . . 0.0 110.985 -178.795 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 88.1 m -81.92 -32.17 31.01 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 120.64 -1.288 . . . . 0.0 110.038 -179.854 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 44' ' ' GLN . . . . . 0.58 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 5.8 tt0 -69.85 -47.8 61.28 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.199 -0.938 . . . . 0.0 111.028 -178.626 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 96.9 mt -83.36 19.45 1.52 Allowed 'General case' 0 N--CA 1.5 2.06 0 O-C-N 120.914 -1.116 . . . . 0.0 110.116 -179.38 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 26.1 ttpp -84.34 127.48 34.01 Favored 'General case' 0 C--N 1.293 -1.871 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 179.513 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 132.89 -141.6 13.0 Favored Glycine 0 N--CA 1.498 2.795 0 N-CA-C 108.769 -1.732 . . . . 0.0 108.769 -179.613 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 48' ' ' GLU . . . . . 0.494 ' O ' ' HB2' ' B' ' 49' ' ' ALA . 51.5 mp0 -86.94 134.82 33.47 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.105 -1.232 . . . . 0.0 109.59 179.55 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 49' ' ' ALA . . . . . 0.494 ' HB2' ' O ' ' B' ' 48' ' ' GLU . . . 176.49 64.55 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.267 -0.896 . . . . 0.0 109.579 -179.716 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 24.7 ptt? -169.52 167.47 9.78 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.373 -0.829 . . . . 0.0 109.329 -179.939 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 51' ' ' HIS . . . . . 0.428 ' H ' ' H ' ' A' ' 52' ' ' GLY . 69.3 t60 55.51 47.63 20.55 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.545 -0.722 . . . . 0.0 109.792 179.967 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -83.17 -47.63 5.7 Favored Glycine 0 N--CA 1.496 2.678 0 N-CA-C 109.2 -1.56 . . . . 0.0 109.2 179.612 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -84.22 169.18 15.02 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.399 -1.059 . . . . 0.0 109.525 179.861 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 3.1 t 62.82 158.08 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 -179.486 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 . . . . . 0 N--CA 1.492 1.65 0 O-C-N 121.009 -1.057 . . . . 0.0 109.547 -179.51 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.563 ' O ' HD12 ' A' ' 5' ' ' ILE . 72.4 m-85 . . . . . 0 N--CA 1.494 1.751 0 CA-C-O 121.313 0.578 . . . . 0.0 110.16 . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 18.9 mt -70.38 -37.75 74.6 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.165 -0.959 . . . . 0.0 111.366 -178.377 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 83.1 m-20 -61.86 -51.63 67.41 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.065 -1.022 . . . . 0.0 111.511 -178.081 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.6 -45.73 82.32 Favored Glycine 0 N--CA 1.491 2.365 0 N-CA-C 109.367 -1.493 . . . . 0.0 109.367 -179.532 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.563 HD12 ' O ' ' A' ' 1' ' ' PHE . 87.9 mt -59.1 -38.34 73.53 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.621 0 O-C-N 121.317 -1.107 . . . . 0.0 110.386 -179.807 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 60.7 t0 -54.36 -46.8 73.07 Favored 'General case' 0 C--N 1.3 -1.585 0 C-N-CA 118.612 -1.235 . . . . 0.0 109.022 -179.131 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 58.3 mttm -70.0 -40.2 75.41 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.092 -1.005 . . . . 0.0 109.217 178.599 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.71 -38.86 87.6 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.607 -0.683 . . . . 0.0 109.574 179.628 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -57.38 -40.22 77.7 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.383 -0.823 . . . . 0.0 109.64 -179.083 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -62.25 -40.54 96.52 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 120.861 -1.149 . . . . 0.0 108.807 178.899 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 32.1 tp10 -59.96 -39.73 86.61 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.371 -0.83 . . . . 0.0 109.34 179.405 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.535 ' O ' ' N ' ' A' ' 16' ' ' HIS . 14.2 t60 -63.19 -46.7 85.86 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.172 -0.955 . . . . 0.0 109.834 179.854 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -61.14 -40.69 94.79 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.214 -0.929 . . . . 0.0 110.477 -179.198 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.4 mtpp -61.32 -36.6 80.59 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.628 -0.67 . . . . 0.0 112.435 -178.208 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -136.81 -1.33 2.24 Favored 'General case' 0 N--CA 1.509 2.525 0 O-C-N 121.015 -1.053 . . . . 0.0 112.452 -177.279 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.535 ' N ' ' O ' ' A' ' 12' ' ' HIS . 92.6 m-70 52.87 43.49 31.49 Favored 'General case' 0 N--CA 1.503 2.22 0 O-C-N 120.091 -1.63 . . . . 0.0 107.531 -177.462 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 76.6 p -63.66 160.22 17.37 Favored 'General case' 0 N--CA 1.495 1.811 0 CA-C-O 121.399 0.618 . . . . 0.0 110.905 -178.37 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -75.65 158.08 32.85 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.964 -1.085 . . . . 0.0 109.091 179.454 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 47.6 p-90 -57.54 -27.47 62.64 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.202 -0.936 . . . . 0.0 109.593 179.967 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.409 HH11 ' HG2' ' A' ' 20' ' ' ARG . 60.5 mtt-85 -63.11 -40.66 98.26 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.306 -0.871 . . . . 0.0 110.911 179.484 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.33 -50.39 53.65 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.315 -0.865 . . . . 0.0 109.337 -179.506 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 59.5 mtm -60.44 -39.87 89.08 Favored 'General case' 0 C--N 1.298 -1.633 0 C-N-CA 119.561 -0.856 . . . . 0.0 109.318 -179.958 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.458 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -57.71 -48.34 79.86 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 119.158 -1.017 . . . . 0.0 108.628 179.51 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 19.9 m -70.88 -35.34 72.31 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.215 -0.928 . . . . 0.0 109.897 179.676 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 56.8 t0 -58.86 -40.86 85.58 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.928 -1.108 . . . . 0.0 110.23 -178.859 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -112.41 0.94 15.77 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 121.218 -0.926 . . . . 0.0 110.511 -179.988 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.458 ' N ' ' O ' ' A' ' 23' ' ' ALA . 5.7 t-20 59.67 49.75 7.93 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.175 -0.953 . . . . 0.0 109.819 179.708 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 76.6 mt -117.0 152.43 48.71 Favored Pre-proline 0 N--CA 1.501 2.1 0 O-C-N 121.721 -0.612 . . . . 0.0 109.377 -179.666 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo -61.71 146.61 96.59 Favored 'Trans proline' 0 C--N 1.308 -1.598 0 C-N-CA 121.408 1.405 . . . . 0.0 111.84 -179.276 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.401 ' O ' ' CG ' ' A' ' 34' ' ' LYS . 34.1 Cg_exo -41.4 -36.46 2.79 Favored 'Trans proline' 0 C--N 1.316 -1.17 0 C-N-CA 122.258 1.972 . . . . 0.0 112.004 -179.803 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 87.5 t -53.57 -49.67 54.32 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.671 0 O-C-N 121.224 -0.922 . . . . 0.0 110.454 -178.525 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.445 HG13 HD11 ' A' ' 5' ' ' ILE . 60.0 t -66.14 -49.48 75.92 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.748 0 C-N-CA 118.841 -1.144 . . . . 0.0 109.31 -179.105 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.77 -41.09 92.46 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.138 -0.976 . . . . 0.0 110.257 179.738 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.401 ' CG ' ' O ' ' A' ' 30' ' ' PRO . 2.9 mmmm -62.65 -39.12 92.9 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 120.776 -1.202 . . . . 0.0 110.053 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.1 tm-20 -60.84 -38.61 86.08 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 120.999 -1.063 . . . . 0.0 110.091 -178.917 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 60.3 mt -58.98 -39.94 79.36 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.387 0 C-N-CA 119.079 -1.048 . . . . 0.0 108.903 -179.715 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 93.5 t -63.47 -40.06 87.64 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 120.809 -1.182 . . . . 0.0 108.933 179.107 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.06 -29.94 70.04 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.507 -0.746 . . . . 0.0 109.742 179.812 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 68.1 m -78.01 -26.22 48.39 Favored 'General case' 0 C--N 1.298 -1.668 0 O-C-N 121.097 -1.002 . . . . 0.0 109.718 -179.161 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 28.3 t -82.02 104.32 12.29 Favored 'General case' 0 N--CA 1.489 1.498 0 CA-C-O 121.754 0.788 . . . . 0.0 109.249 179.89 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -60.49 -30.31 69.62 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.87 -0.519 . . . . 0.0 110.543 -179.121 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 57.3 mttp -69.94 -40.33 75.55 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.278 -0.889 . . . . 0.0 110.768 -178.858 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 66.8 m -84.01 -24.67 30.44 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 120.66 -1.275 . . . . 0.0 109.643 179.916 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -75.32 -67.88 0.61 Allowed 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.056 -1.027 . . . . 0.0 109.65 -179.496 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 75.7 mt -82.31 109.76 16.86 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 108.817 -0.809 . . . . 0.0 108.817 -179.897 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.495 ' O ' ' N ' ' A' ' 48' ' ' GLU . 78.7 tttt -91.78 148.6 22.12 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.46 -0.775 . . . . 0.0 109.083 179.625 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -47.7 -12.84 0.14 Allowed Glycine 0 N--CA 1.494 2.546 0 C-N-CA 119.672 -1.251 . . . . 0.0 110.35 -179.407 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.495 ' N ' ' O ' ' A' ' 46' ' ' LYS . 91.8 mt-10 -78.35 -10.41 59.67 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 120.683 -1.48 . . . . 0.0 109.254 179.925 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -76.91 -23.66 52.49 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.922 -1.111 . . . . 0.0 108.856 179.814 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 60.8 mtt -99.09 146.16 26.38 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.53 -0.731 . . . . 0.0 109.265 -179.99 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 61.1 t60 51.76 50.09 19.43 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.541 -0.724 . . . . 0.0 109.634 -179.389 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -93.56 -44.34 3.72 Favored Glycine 0 N--CA 1.493 2.491 0 N-CA-C 109.985 -1.246 . . . . 0.0 109.985 179.898 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -97.41 -168.25 1.66 Allowed 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.273 -1.133 . . . . 0.0 109.602 -179.848 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 11.1 t 60.07 158.37 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.935 0 O-C-N 121.169 -0.957 . . . . 0.0 109.607 -179.936 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 38.0 t0 . . . . . 0 N--CA 1.497 1.914 0 CA-C-O 118.06 -0.971 . . . . 0.0 109.804 -179.86 . . . . . . . . 0 0 . 1 . 026 nuclear build full ' B' B ' 1' ' ' PHE . . . . . 0.481 ' O ' HD12 ' B' ' 5' ' ' ILE . 68.6 m-85 . . . . . 0 N--CA 1.49 1.567 0 CA-C-O 121.484 0.659 . . . . 0.0 109.693 . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 18.7 mt -69.88 -37.75 76.15 Favored 'General case' 0 C--N 1.299 -1.625 0 O-C-N 121.156 -0.965 . . . . 0.0 111.999 -178.192 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -61.88 -52.16 65.24 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 120.991 -1.068 . . . . 0.0 111.424 -177.785 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.18 -43.36 89.77 Favored Glycine 0 N--CA 1.495 2.579 0 N-CA-C 109.734 -1.347 . . . . 0.0 109.734 -179.334 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.481 HD12 ' O ' ' B' ' 1' ' ' PHE . 92.3 mt -59.81 -38.53 76.53 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.427 -1.043 . . . . 0.0 109.211 179.512 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -53.45 -47.91 69.28 Favored 'General case' 0 C--N 1.303 -1.449 0 C-N-CA 118.665 -1.214 . . . . 0.0 108.96 -179.573 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 59.6 mttm -69.79 -41.32 75.23 Favored 'General case' 0 C--N 1.303 -1.437 0 C-N-CA 119.125 -1.03 . . . . 0.0 109.081 179.534 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.46 -37.52 85.31 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.417 -0.802 . . . . 0.0 109.549 179.662 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 9' ' ' GLN . . . . . 0.472 ' N ' ' O ' ' B' ' 5' ' ' ILE . 56.9 tt0 -57.61 -41.32 81.05 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.225 -0.922 . . . . 0.0 109.022 -178.567 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.38 -41.12 93.1 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 120.979 -1.076 . . . . 0.0 108.913 178.855 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 31.7 tp10 -60.1 -40.82 90.98 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.331 -0.856 . . . . 0.0 108.896 -179.699 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 12' ' ' HIS . . . . . 0.527 ' O ' ' N ' ' B' ' 16' ' ' HIS . 15.6 t60 -61.28 -47.32 86.54 Favored 'General case' 0 C--N 1.3 -1.552 0 C-N-CA 119.623 -0.831 . . . . 0.0 110.14 179.384 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -60.37 -41.75 94.39 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.329 -0.857 . . . . 0.0 110.18 -178.777 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 23.6 mtpp -60.79 -36.52 79.23 Favored 'General case' 0 N--CA 1.495 1.8 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 -178.337 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -136.96 -3.17 2.03 Favored 'General case' 0 N--CA 1.512 2.649 0 O-C-N 120.792 -1.193 . . . . 0.0 112.4 -177.446 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.527 ' N ' ' O ' ' B' ' 12' ' ' HIS . 91.6 m-70 55.88 42.02 29.35 Favored 'General case' 0 N--CA 1.502 2.174 0 N-CA-C 107.421 -1.325 . . . . 0.0 107.421 -178.201 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 81.7 p -63.26 158.67 19.59 Favored 'General case' 0 N--CA 1.491 1.576 0 CA-C-O 121.618 0.723 . . . . 0.0 110.935 -178.311 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 -74.08 157.41 36.11 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.066 -1.021 . . . . 0.0 109.115 179.624 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 50.5 p-90 -56.69 -27.04 58.12 Favored 'General case' 0 C--N 1.299 -1.604 0 C-N-CA 119.781 -0.768 . . . . 0.0 109.556 179.564 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 20' ' ' ARG . . . . . 0.407 HH11 ' HG2' ' B' ' 20' ' ' ARG . 58.2 mtt-85 -63.48 -40.05 96.06 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.29 -0.881 . . . . 0.0 110.983 179.509 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.15 -49.17 59.24 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.193 -0.942 . . . . 0.0 109.52 -179.004 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 61.0 mtm -61.04 -40.24 92.87 Favored 'General case' 0 C--N 1.3 -1.582 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 179.707 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.482 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -57.69 -49.59 76.02 Favored 'General case' 0 C--N 1.304 -1.391 0 C-N-CA 118.909 -1.116 . . . . 0.0 108.734 179.015 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 19.8 m -69.72 -34.15 73.47 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.689 -0.632 . . . . 0.0 109.971 179.326 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -60.68 -43.14 98.07 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.971 -1.081 . . . . 0.0 110.26 -179.591 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -110.78 1.83 18.0 Favored 'General case' 0 N--CA 1.503 2.197 0 O-C-N 120.974 -1.079 . . . . 0.0 110.523 -179.625 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.482 ' N ' ' O ' ' B' ' 23' ' ' ALA . 6.9 t-20 58.09 51.24 8.95 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.923 -1.11 . . . . 0.0 109.528 179.051 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 78.4 mt -117.67 151.87 49.03 Favored Pre-proline 0 N--CA 1.501 2.106 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 -179.565 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_endo -60.59 146.16 97.54 Favored 'Trans proline' 0 N--CA 1.491 1.332 0 C-N-CA 121.595 1.53 . . . . 0.0 111.261 -179.833 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 30' ' ' PRO . . . . . 0.419 ' O ' ' CG ' ' B' ' 34' ' ' LYS . 31.5 Cg_exo -42.19 -34.95 3.11 Favored 'Trans proline' 0 N--CA 1.488 1.193 0 C-N-CA 122.235 1.957 . . . . 0.0 111.785 -179.735 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 92.9 t -53.46 -48.26 57.96 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.707 0 O-C-N 121.205 -0.934 . . . . 0.0 110.744 -178.385 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 32' ' ' VAL . . . . . 0.475 HG13 HD11 ' B' ' 5' ' ' ILE . 60.2 t -68.39 -47.45 77.57 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.693 0 C-N-CA 118.807 -1.157 . . . . 0.0 109.403 -178.906 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.11 -41.16 86.68 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.118 -0.988 . . . . 0.0 109.704 179.629 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.419 ' CG ' ' O ' ' B' ' 30' ' ' PRO . 2.7 mmmm -62.34 -39.39 92.93 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.361 -0.837 . . . . 0.0 109.932 179.774 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 7.7 tm-20 -60.61 -39.42 88.07 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.073 -1.017 . . . . 0.0 110.159 -178.658 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 57.8 mt -59.19 -39.54 78.94 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.754 0 O-C-N 120.611 -1.305 . . . . 0.0 109.27 179.941 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 91.4 t -63.6 -40.32 88.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 C-N-CA 118.911 -1.115 . . . . 0.0 108.833 179.555 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 38' ' ' ALA . . . . . 0.566 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -60.57 -30.23 69.67 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.482 -0.761 . . . . 0.0 109.551 179.403 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 49.6 m -78.57 -24.27 45.64 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 120.593 -1.317 . . . . 0.0 109.845 -179.742 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 28.5 t -81.88 104.4 12.23 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.003 -1.06 . . . . 0.0 108.768 179.222 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 -60.99 -31.1 70.71 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.566 -0.709 . . . . 0.0 110.313 -178.934 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 58.2 mttp -69.58 -40.89 76.44 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.251 -0.906 . . . . 0.0 110.643 -178.913 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 63.1 m -83.16 -23.26 33.01 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 120.586 -1.321 . . . . 0.0 109.437 179.772 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 44' ' ' GLN . . . . . 0.566 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 16.3 tt0 -76.33 -69.02 0.53 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.96 -1.087 . . . . 0.0 109.846 -179.393 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 84.0 mt -80.79 112.24 17.98 Favored 'General case' 0 C--N 1.299 -1.591 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 -179.898 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 46' ' ' LYS . . . . . 0.536 ' O ' ' N ' ' B' ' 48' ' ' GLU . 78.1 tttt -94.4 148.15 22.52 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 120.972 -1.08 . . . . 0.0 108.39 -179.896 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -45.82 -14.57 0.08 OUTLIER Glycine 0 N--CA 1.491 2.323 0 C-N-CA 119.77 -1.205 . . . . 0.0 110.265 -178.911 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 48' ' ' GLU . . . . . 0.536 ' N ' ' O ' ' B' ' 46' ' ' LYS . 90.9 mt-10 -77.23 -11.57 59.84 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.922 -1.34 . . . . 0.0 110.287 -179.671 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -77.0 -21.96 53.87 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.731 -1.231 . . . . 0.0 109.059 179.723 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 63.7 mtt -100.09 142.39 31.63 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.339 -0.851 . . . . 0.0 109.313 179.624 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 59.3 t60 55.06 49.88 16.57 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.702 -0.624 . . . . 0.0 109.542 -179.248 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -92.66 -45.4 3.7 Favored Glycine 0 N--CA 1.496 2.642 0 N-CA-C 109.122 -1.591 . . . . 0.0 109.122 179.627 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 89.7 mt-30 -96.24 -169.14 1.86 Allowed 'General case' 0 N--CA 1.504 2.271 0 O-C-N 121.515 -0.991 . . . . 0.0 109.832 -179.844 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 6.6 t 60.44 161.54 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 121.488 -0.757 . . . . 0.0 109.103 -179.626 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 39.7 t0 . . . . . 0 N--CA 1.49 1.564 0 CA-C-O 117.809 -1.091 . . . . 0.0 109.835 -178.928 . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 . . . . . 0 N--CA 1.493 1.684 0 CA-C-O 121.207 0.527 . . . . 0.0 110.223 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 19.8 mt -70.37 -40.5 73.96 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.371 -0.831 . . . . 0.0 110.819 -178.243 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -67.44 -46.37 73.33 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.77 -1.207 . . . . 0.0 110.677 -179.2 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.01 -49.7 45.78 Favored Glycine 0 N--CA 1.496 2.677 0 C-N-CA 120.049 -1.072 . . . . 0.0 110.433 -179.04 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 81.6 mt -58.58 -37.91 67.74 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.763 0 O-C-N 121.302 -1.117 . . . . 0.0 110.057 -179.648 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -54.65 -46.85 74.06 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 120.708 -1.245 . . . . 0.0 108.566 -179.5 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 46.9 mtpt -69.32 -45.38 69.62 Favored 'General case' 0 C--N 1.302 -1.482 0 C-N-CA 119.27 -0.972 . . . . 0.0 109.276 179.167 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.42 -36.87 85.56 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.429 -0.795 . . . . 0.0 109.761 -179.689 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -56.66 -41.29 76.97 Favored 'General case' 0 C--N 1.307 -1.239 0 C-N-CA 119.483 -0.887 . . . . 0.0 108.833 -179.573 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -61.59 -42.82 99.41 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 120.753 -1.217 . . . . 0.0 108.749 179.076 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 34.5 tp10 -61.06 -41.02 95.83 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.24 -0.912 . . . . 0.0 108.59 179.304 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.535 ' O ' ' N ' ' A' ' 16' ' ' HIS . 13.0 t60 -61.01 -48.03 83.7 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.231 -0.918 . . . . 0.0 110.259 179.913 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -59.73 -42.09 92.35 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.226 -0.921 . . . . 0.0 110.443 -178.858 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -61.85 -30.32 70.77 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.293 -0.88 . . . . 0.0 112.806 -178.79 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -139.48 -8.12 1.29 Allowed 'General case' 0 N--CA 1.509 2.495 0 O-C-N 120.54 -1.35 . . . . 0.0 112.244 -177.342 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.535 ' N ' ' O ' ' A' ' 12' ' ' HIS . 91.6 m-70 55.5 41.92 30.33 Favored 'General case' 0 N--CA 1.494 1.766 0 N-CA-C 107.349 -1.352 . . . . 0.0 107.349 -177.424 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 99.1 p -63.21 157.32 22.86 Favored 'General case' 0 C--N 1.305 -1.336 0 CA-C-O 121.426 0.632 . . . . 0.0 109.751 -179.338 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 74.3 m-20 -72.6 159.48 33.82 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.237 -0.914 . . . . 0.0 108.995 179.651 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 40.2 p-90 -57.81 -29.51 64.96 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.16 -0.963 . . . . 0.0 110.186 -179.593 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 81.7 mtm180 -63.46 -40.77 98.0 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.004 -1.06 . . . . 0.0 110.512 -179.857 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.03 -46.94 66.68 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 120.98 -1.075 . . . . 0.0 109.463 -179.113 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 76.9 mtm -61.66 -40.53 95.26 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.429 -0.794 . . . . 0.0 109.68 179.251 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.475 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -58.58 -46.27 87.3 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.175 -0.953 . . . . 0.0 108.968 -179.673 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 67.9 m -70.32 -35.65 73.78 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.28 -0.887 . . . . 0.0 109.414 178.881 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 52.0 t0 -61.02 -40.78 94.86 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.343 -0.848 . . . . 0.0 110.112 -179.413 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -107.95 -0.6 21.29 Favored 'General case' 0 N--CA 1.504 2.24 0 O-C-N 121.467 -0.77 . . . . 0.0 110.626 -179.9 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.475 ' N ' ' O ' ' A' ' 23' ' ' ALA . 10.3 t-20 57.74 45.75 18.33 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.361 -0.837 . . . . 0.0 109.615 -179.848 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 46.9 mt -115.95 151.32 46.35 Favored Pre-proline 0 N--CA 1.504 2.242 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 179.685 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -61.53 151.49 79.6 Favored 'Trans proline' 0 N--CA 1.493 1.47 0 C-N-CA 121.902 1.735 . . . . 0.0 111.77 -179.383 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_exo -43.82 -34.84 6.29 Favored 'Trans proline' 0 C--N 1.315 -1.219 0 C-N-CA 122.059 1.839 . . . . 0.0 111.642 179.896 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 71.8 t -52.03 -49.83 37.25 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.775 0 O-C-N 121.376 -0.827 . . . . 0.0 110.425 -178.328 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 88.9 t -68.81 -49.31 65.06 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.623 0 C-N-CA 118.896 -1.122 . . . . 0.0 109.782 -179.283 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.44 -43.42 94.36 Favored 'General case' 0 C--N 1.3 -1.568 0 C-N-CA 119.614 -0.835 . . . . 0.0 110.237 -179.791 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 26.4 mtpp -61.71 -36.33 80.63 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 120.701 -1.25 . . . . 0.0 110.238 179.963 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.3 tm-20 -62.34 -38.64 90.28 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.051 -1.031 . . . . 0.0 110.24 -178.726 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 21.1 mt -60.63 -40.64 85.29 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.129 -0.982 . . . . 0.0 109.043 179.948 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 98.7 t -62.73 -39.0 83.13 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.452 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 179.261 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.16 -33.82 72.72 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.821 -0.549 . . . . 0.0 109.663 179.748 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 20.2 m -78.04 -25.41 47.78 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.053 -1.029 . . . . 0.0 109.456 -179.499 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 47.0 t -82.15 99.96 9.54 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.1 -1.0 . . . . 0.0 109.137 179.835 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -60.46 -29.81 69.27 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.34 -0.85 . . . . 0.0 109.976 -179.778 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 52.6 mtpt -69.1 -39.21 79.13 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.141 -0.974 . . . . 0.0 110.545 -178.926 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 59.9 m -84.95 -22.05 29.35 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.736 -1.227 . . . . 0.0 108.984 179.298 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -73.39 -78.04 0.1 Allowed 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.211 -0.931 . . . . 0.0 109.009 -179.839 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 49.3 mt -79.9 89.58 5.29 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 120.727 -1.233 . . . . 0.0 108.397 178.924 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 20.6 pttm -92.41 -6.11 50.67 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.629 -0.669 . . . . 0.0 109.801 -179.817 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 159.67 -171.5 36.08 Favored Glycine 0 N--CA 1.496 2.661 0 N-CA-C 110.181 -1.168 . . . . 0.0 110.181 179.535 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 47.45 -129.98 1.56 Allowed 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.546 -0.973 . . . . 0.0 109.361 179.488 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.462 ' O ' ' O ' ' B' ' 49' ' ' ALA . . . 53.98 96.38 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.001 -1.062 . . . . 0.0 109.551 179.943 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 21.5 mmt 55.61 43.67 27.84 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.089 -1.007 . . . . 0.0 110.615 179.154 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.495 ' C ' ' H ' ' A' ' 53' ' ' GLN . 38.7 t-80 -114.27 28.28 8.86 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.406 -0.809 . . . . 0.0 109.572 179.807 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -72.51 19.42 1.13 Allowed Glycine 0 N--CA 1.491 2.309 0 N-CA-C 109.522 -1.431 . . . . 0.0 109.522 -179.941 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.495 ' H ' ' C ' ' A' ' 51' ' ' HIS . 93.9 mt-30 54.58 46.43 24.83 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.422 -1.046 . . . . 0.0 109.412 -179.88 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.701 HG13 ' N ' ' A' ' 55' ' ' ASP . 0.4 OUTLIER 64.84 -169.53 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.927 0 O-C-N 121.706 -0.621 . . . . 0.0 109.574 179.65 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.701 ' N ' HG13 ' A' ' 54' ' ' VAL . 56.6 t0 . . . . . 0 N--CA 1.491 1.609 0 CA-C-O 118.115 -0.945 . . . . 0.0 109.228 -179.837 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 . . . . . 0 N--CA 1.492 1.641 0 CA-C-O 121.424 0.63 . . . . 0.0 110.103 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 22.1 mt -70.88 -41.21 71.64 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.306 -0.871 . . . . 0.0 110.784 -178.144 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 53.5 t0 -67.51 -45.98 74.22 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.747 -1.221 . . . . 0.0 110.408 -179.149 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.8 -50.08 44.43 Favored Glycine 0 N--CA 1.494 2.504 0 C-N-CA 119.993 -1.098 . . . . 0.0 110.653 -179.336 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 83.4 mt -58.67 -38.07 69.35 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.568 0 O-C-N 121.254 -1.144 . . . . 0.0 109.771 -179.6 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 62.5 t0 -54.46 -47.12 73.31 Favored 'General case' 0 C--N 1.302 -1.459 0 C-N-CA 118.563 -1.255 . . . . 0.0 108.921 -179.531 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 47.1 mtpt -69.54 -44.37 71.07 Favored 'General case' 0 N--CA 1.487 1.425 0 C-N-CA 119.309 -0.956 . . . . 0.0 109.291 178.93 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.61 -37.83 88.91 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.154 -0.966 . . . . 0.0 109.611 -179.816 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -56.28 -40.99 75.17 Favored 'General case' 0 N--CA 1.484 1.249 0 O-C-N 121.264 -0.897 . . . . 0.0 109.16 -179.581 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -61.45 -43.12 99.43 Favored 'General case' 0 C--N 1.3 -1.555 0 C-N-CA 118.592 -1.243 . . . . 0.0 108.605 178.624 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 33.4 tp10 -60.73 -41.98 96.41 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.224 -0.923 . . . . 0.0 108.917 179.288 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 12' ' ' HIS . . . . . 0.541 ' O ' ' N ' ' B' ' 16' ' ' HIS . 12.5 t60 -60.74 -47.27 87.04 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.332 -0.855 . . . . 0.0 110.281 179.899 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -60.48 -41.1 93.55 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.015 -1.053 . . . . 0.0 110.508 -178.988 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -62.71 -29.81 70.94 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.512 -0.742 . . . . 0.0 112.7 -178.679 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -139.81 -8.21 1.23 Allowed 'General case' 0 N--CA 1.509 2.489 0 O-C-N 120.669 -1.27 . . . . 0.0 112.143 -177.133 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.541 ' N ' ' O ' ' B' ' 12' ' ' HIS . 90.8 m-70 55.67 42.75 29.06 Favored 'General case' 0 N--CA 1.492 1.642 0 N-CA-C 107.229 -1.397 . . . . 0.0 107.229 -177.851 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 93.6 p -64.56 156.46 29.8 Favored 'General case' 0 C--N 1.304 -1.393 0 CA-C-O 121.393 0.616 . . . . 0.0 109.832 -179.101 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 69.7 m-20 -72.01 158.85 35.22 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.029 -1.044 . . . . 0.0 108.817 179.653 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 40.9 p-90 -57.58 -29.1 64.18 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.239 -0.913 . . . . 0.0 110.257 -179.62 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 82.2 mtm180 -64.05 -40.56 96.57 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 120.925 -1.109 . . . . 0.0 110.477 -179.905 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.88 -46.12 69.23 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 120.856 -1.153 . . . . 0.0 109.496 -179.538 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 77.2 mtm -63.09 -39.76 95.65 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.88 -1.137 . . . . 0.0 109.792 179.58 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.479 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -58.59 -46.28 87.29 Favored 'General case' 0 N--CA 1.491 1.618 0 C-N-CA 119.432 -0.907 . . . . 0.0 108.639 -179.862 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 67.9 m -69.99 -36.87 75.49 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.232 -0.918 . . . . 0.0 109.394 179.365 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 51.1 t0 -60.03 -41.2 91.72 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.449 -0.782 . . . . 0.0 110.346 -179.438 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -107.88 -0.31 21.58 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.266 -0.896 . . . . 0.0 110.168 -179.676 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.479 ' N ' ' O ' ' B' ' 23' ' ' ALA . 10.4 t-20 57.96 44.83 19.07 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.269 -0.895 . . . . 0.0 109.456 179.917 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 49.9 mt -114.95 151.45 45.54 Favored Pre-proline 0 N--CA 1.498 1.938 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 179.5 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_endo -61.55 150.45 85.3 Favored 'Trans proline' 0 N--CA 1.495 1.601 0 C-N-CA 121.936 1.757 . . . . 0.0 112.031 -179.531 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 27.2 Cg_exo -42.93 -34.61 3.87 Favored 'Trans proline' 0 C--N 1.312 -1.379 0 C-N-CA 122.023 1.815 . . . . 0.0 111.6 179.685 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 75.8 t -52.9 -49.85 46.36 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.563 0 O-C-N 121.334 -0.854 . . . . 0.0 110.335 -178.572 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 61.5 t -68.6 -49.57 63.86 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.813 0 C-N-CA 118.506 -1.278 . . . . 0.0 109.811 -179.204 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.45 -43.23 94.94 Favored 'General case' 0 C--N 1.304 -1.375 0 C-N-CA 119.593 -0.843 . . . . 0.0 110.24 -179.752 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -61.67 -36.82 81.94 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.614 -1.304 . . . . 0.0 110.258 179.836 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.4 tm-20 -61.3 -39.07 89.1 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 120.947 -1.096 . . . . 0.0 110.452 -178.61 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 22.4 mt -60.42 -40.73 85.01 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.224 -0.923 . . . . 0.0 109.072 -179.971 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 94.7 t -62.2 -39.44 83.99 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.395 0 N-CA-C 108.431 -0.951 . . . . 0.0 108.431 179.471 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.16 -33.48 72.24 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.717 -0.614 . . . . 0.0 109.71 179.739 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 22.2 m -77.88 -24.77 48.38 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.383 -0.823 . . . . 0.0 109.505 -179.835 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 46.2 t -83.58 99.53 10.23 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.367 -0.833 . . . . 0.0 109.089 179.846 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 92.7 m-20 -60.1 -29.95 68.93 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.126 -0.984 . . . . 0.0 109.873 -179.834 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 50.6 mtpt -68.71 -38.65 80.4 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.196 -0.94 . . . . 0.0 110.578 -178.803 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 58.9 m -85.74 -21.01 28.44 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 120.672 -1.268 . . . . 0.0 109.231 179.349 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -74.37 -77.64 0.11 Allowed 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.273 -0.892 . . . . 0.0 108.897 -179.719 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 47.0 mt -80.6 89.37 5.69 Favored 'General case' 0 N--CA 1.486 1.335 0 O-C-N 121.052 -1.03 . . . . 0.0 108.371 179.092 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 20.8 pttm -92.29 -5.66 51.87 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.39 -0.819 . . . . 0.0 109.816 -179.874 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 159.51 -170.75 35.82 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.865 -1.294 . . . . 0.0 109.865 179.805 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 45.79 -130.71 1.14 Allowed 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.347 -1.09 . . . . 0.0 109.879 -179.948 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 49' ' ' ALA . . . . . 0.462 ' O ' ' O ' ' A' ' 49' ' ' ALA . . . 54.27 96.74 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.14 -0.975 . . . . 0.0 109.309 -179.948 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 22.4 mmt 55.58 44.0 27.37 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.539 -0.725 . . . . 0.0 110.189 179.496 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 51' ' ' HIS . . . . . 0.498 ' C ' ' H ' ' B' ' 53' ' ' GLN . 40.5 t-80 -114.25 28.29 8.86 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.395 -0.816 . . . . 0.0 109.323 179.56 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -71.68 18.37 1.06 Allowed Glycine 0 N--CA 1.49 2.257 0 N-CA-C 109.801 -1.32 . . . . 0.0 109.801 179.941 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 53' ' ' GLN . . . . . 0.498 ' H ' ' C ' ' B' ' 51' ' ' HIS . 93.6 mt-30 55.92 43.91 26.63 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.559 -0.965 . . . . 0.0 109.479 -179.717 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.693 HG13 ' N ' ' B' ' 55' ' ' ASP . 0.4 OUTLIER 67.06 -169.73 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.875 0 CA-C-O 121.545 0.688 . . . . 0.0 109.439 179.921 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.693 ' N ' HG13 ' B' ' 54' ' ' VAL . 53.9 t0 . . . . . 0 N--CA 1.491 1.584 0 CA-C-O 117.974 -1.012 . . . . 0.0 109.042 179.672 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.505 ' CE2' ' CE2' ' B' ' 1' ' ' PHE . 34.1 m-85 . . . . . 0 N--CA 1.495 1.786 0 CA-C-O 121.676 0.75 . . . . 0.0 109.816 . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 44.3 mt -66.7 -36.55 82.76 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.354 -0.841 . . . . 0.0 111.423 -177.918 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 53.7 t0 -61.62 -48.54 80.41 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.958 -1.089 . . . . 0.0 109.861 -179.059 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.3 -43.17 80.45 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 110.046 -1.221 . . . . 0.0 110.046 -179.655 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 74.6 mt -61.48 -39.99 84.85 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.739 0 O-C-N 121.508 -0.995 . . . . 0.0 110.378 -179.546 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -57.88 -47.18 83.52 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 120.96 -1.087 . . . . 0.0 109.601 -179.132 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -69.01 -39.89 79.03 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.133 -0.979 . . . . 0.0 109.226 179.338 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.38 -39.3 85.62 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.686 -0.634 . . . . 0.0 109.953 179.954 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 10.9 tm0? -56.37 -40.85 75.22 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 119.278 -0.969 . . . . 0.0 109.248 -179.65 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -61.45 -42.29 98.53 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.953 -1.092 . . . . 0.0 109.001 179.43 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.0 tp10 -60.69 -40.3 91.69 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 179.598 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.572 ' O ' ' N ' ' A' ' 16' ' ' HIS . 14.2 t60 -60.78 -47.71 85.09 Favored 'General case' 0 N--CA 1.486 1.371 0 O-C-N 121.527 -0.733 . . . . 0.0 110.227 179.528 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -60.4 -40.79 92.24 Favored 'General case' 0 C--N 1.294 -1.815 0 O-C-N 121.047 -1.033 . . . . 0.0 110.057 -178.684 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 51.5 mtpt -62.86 -33.63 75.67 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.761 -0.587 . . . . 0.0 112.549 -177.995 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -138.94 -2.18 1.72 Allowed 'General case' 0 N--CA 1.509 2.476 0 O-C-N 120.953 -1.092 . . . . 0.0 112.241 -177.463 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.572 ' N ' ' O ' ' A' ' 12' ' ' HIS . 91.0 m-70 52.56 42.16 31.32 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 120.183 -1.573 . . . . 0.0 107.816 -177.598 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 89.8 p -62.41 159.35 15.62 Favored 'General case' 0 C--N 1.298 -1.646 0 C-N-CA 119.834 -0.746 . . . . 0.0 110.365 -178.572 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 22.9 m120 -75.02 158.21 33.59 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.61 -0.681 . . . . 0.0 109.532 179.664 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 36.1 p-90 -57.18 -30.04 64.17 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.003 -1.06 . . . . 0.0 110.098 -179.762 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -63.64 -39.85 95.37 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.512 -1.367 . . . . 0.0 109.255 179.43 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.67 -50.16 53.28 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.375 -0.828 . . . . 0.0 109.619 -179.863 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 78.0 mtm -60.38 -39.87 88.8 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.11 -0.994 . . . . 0.0 109.485 -179.843 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.5 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -60.39 -44.45 95.66 Favored 'General case' 0 N--CA 1.489 1.507 0 C-N-CA 119.293 -0.963 . . . . 0.0 109.182 -179.673 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 31.0 m -70.08 -38.45 75.72 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.506 -0.746 . . . . 0.0 110.222 -179.694 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -59.5 -40.24 86.42 Favored 'General case' 0 C--N 1.297 -1.692 0 C-N-CA 119.306 -0.958 . . . . 0.0 110.333 -177.972 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -110.87 -3.22 15.76 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.512 -0.742 . . . . 0.0 110.326 -179.132 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.5 ' N ' ' O ' ' A' ' 23' ' ' ALA . 59.1 t30 58.87 49.13 10.21 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.557 -0.714 . . . . 0.0 110.145 179.389 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 46.8 mt -112.91 146.31 34.84 Favored Pre-proline 0 N--CA 1.505 2.286 0 O-C-N 121.101 -0.999 . . . . 0.0 109.003 179.561 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -46.04 147.14 3.75 Favored 'Trans proline' 0 N--CA 1.489 1.239 0 C-N-CA 120.951 1.101 . . . . 0.0 111.466 179.082 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -44.36 -40.2 12.95 Favored 'Trans proline' 0 C--N 1.314 -1.253 0 C-N-CA 121.954 1.77 . . . . 0.0 111.842 178.585 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.452 HG21 ' CD1' ' B' ' 5' ' ' ILE . 57.8 t -51.8 -46.54 39.82 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 121.4 -0.813 . . . . 0.0 110.361 -178.572 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 45.4 t -65.16 -50.29 74.77 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.885 0 C-N-CA 117.886 -1.525 . . . . 0.0 108.543 -178.737 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.49 -46.9 84.0 Favored 'General case' 0 C--N 1.3 -1.55 0 C-N-CA 120.07 -0.652 . . . . 0.0 110.307 179.545 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 41.3 mtmt -60.84 -36.62 79.58 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.007 -1.058 . . . . 0.0 110.182 179.919 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.7 tm-20 -60.48 -37.18 80.21 Favored 'General case' 0 C--N 1.305 -1.355 0 C-N-CA 119.242 -0.983 . . . . 0.0 108.89 -179.27 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 68.0 mt -59.77 -40.76 83.39 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.491 0 O-C-N 121.166 -0.959 . . . . 0.0 108.832 178.851 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 92.0 t -62.17 -39.66 84.75 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.465 0 O-C-N 121.041 -1.037 . . . . 0.0 108.517 179.317 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.18 -32.11 69.62 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.43 -0.793 . . . . 0.0 109.257 179.67 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 30.7 m -77.8 -30.1 51.08 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.99 -1.069 . . . . 0.0 110.026 -179.486 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 43.1 t -83.11 104.1 13.04 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.454 -0.778 . . . . 0.0 109.764 179.709 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 84.4 m-20 -61.61 -30.4 70.67 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.352 -0.843 . . . . 0.0 110.823 -179.699 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 64.4 mttp -68.9 -40.25 79.24 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.968 -1.083 . . . . 0.0 110.506 -178.656 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 90.7 m -88.02 -21.01 25.03 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 120.737 -1.227 . . . . 0.0 110.105 -179.918 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -73.48 -66.18 0.72 Allowed 'General case' 0 C--N 1.298 -1.668 0 C-N-CA 119.531 -0.867 . . . . 0.0 109.695 -178.285 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 35.4 mt -80.2 103.99 10.45 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.012 -1.055 . . . . 0.0 108.631 179.482 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.1 ttmp? -92.1 -17.22 25.28 Favored 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 179.381 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 168.93 -142.61 7.49 Favored Glycine 0 N--CA 1.49 2.258 0 N-CA-C 109.253 -1.539 . . . . 0.0 109.253 179.978 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 58.0 tt0 60.68 8.55 1.8 Allowed 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.046 -1.267 . . . . 0.0 108.711 -179.561 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -102.56 77.18 1.59 Allowed 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.3 -0.875 . . . . 0.0 109.302 179.17 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 43.8 ttm -159.32 114.86 2.5 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.157 -0.964 . . . . 0.0 109.638 -179.756 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 21.4 t-80 -84.17 121.03 26.9 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.915 -1.116 . . . . 0.0 108.969 179.625 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -86.97 -133.43 3.71 Favored Glycine 0 N--CA 1.493 2.449 0 O-C-N 121.028 -1.045 . . . . 0.0 110.495 -179.087 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.454 ' O ' ' O ' ' A' ' 54' ' ' VAL . 24.4 tt0 60.21 -145.21 0.5 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.544 -0.974 . . . . 0.0 109.054 -179.401 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.59 HG12 ' N ' ' A' ' 55' ' ' ASP . 34.8 t 53.99 169.98 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.309 -0.87 . . . . 0.0 110.031 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.59 ' N ' HG12 ' A' ' 54' ' ' VAL . 56.6 p-10 . . . . . 0 N--CA 1.493 1.684 0 CA-C-O 117.992 -1.004 . . . . 0.0 108.953 178.407 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 1' ' ' PHE . . . . . 0.505 ' CE2' ' CE2' ' A' ' 1' ' ' PHE . 33.4 m-85 . . . . . 0 N--CA 1.492 1.663 0 CA-C-O 121.533 0.682 . . . . 0.0 109.664 . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 33.1 mt -66.07 -36.53 83.47 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.3 -0.875 . . . . 0.0 111.114 -178.458 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 53.5 t0 -61.5 -47.61 84.83 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 120.945 -1.097 . . . . 0.0 109.921 -178.768 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.96 -43.46 65.39 Favored Glycine 0 N--CA 1.492 2.426 0 N-CA-C 109.974 -1.251 . . . . 0.0 109.974 -179.56 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.452 ' CD1' HG21 ' A' ' 31' ' ' VAL . 74.0 mt -61.62 -40.14 85.6 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.407 -1.055 . . . . 0.0 110.515 -179.537 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -56.96 -48.65 77.84 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.061 -1.025 . . . . 0.0 109.303 -179.166 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -69.33 -39.7 78.03 Favored 'General case' 0 C--N 1.296 -1.721 0 C-N-CA 119.145 -1.022 . . . . 0.0 109.516 179.118 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.9 -38.49 86.36 Favored 'General case' 0 C--N 1.3 -1.571 0 C-N-CA 119.497 -0.881 . . . . 0.0 109.73 179.981 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 11.6 tm0? -56.87 -41.09 77.37 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.249 -0.907 . . . . 0.0 110.063 -179.608 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -61.16 -42.75 99.11 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.889 -1.132 . . . . 0.0 109.017 179.245 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 40.0 tp10 -59.88 -40.08 87.48 Favored 'General case' 0 C--N 1.303 -1.427 0 N-CA-C 108.307 -0.998 . . . . 0.0 108.307 179.517 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 12' ' ' HIS . . . . . 0.607 ' O ' ' N ' ' B' ' 16' ' ' HIS . 14.0 t60 -61.03 -47.99 83.83 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.501 -0.749 . . . . 0.0 110.105 179.192 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -60.32 -40.8 91.9 Favored 'General case' 0 C--N 1.297 -1.691 0 O-C-N 121.249 -0.907 . . . . 0.0 109.817 -178.798 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 52.9 mtpt -62.36 -32.86 73.71 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.537 -0.727 . . . . 0.0 112.84 -178.426 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -140.48 -0.13 1.61 Allowed 'General case' 0 N--CA 1.508 2.433 0 O-C-N 120.59 -1.319 . . . . 0.0 111.915 -177.865 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.607 ' N ' ' O ' ' B' ' 12' ' ' HIS . 90.8 m-70 51.78 42.57 30.03 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.431 -1.418 . . . . 0.0 107.935 -177.764 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 81.0 p -62.58 157.47 20.5 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 121.432 -0.792 . . . . 0.0 110.656 -178.655 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 20.6 m120 -73.99 156.71 37.27 Favored 'General case' 0 N--CA 1.493 1.714 0 CA-C-O 121.225 0.536 . . . . 0.0 109.915 -179.888 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 35.7 p-90 -55.51 -31.24 61.88 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.087 -1.008 . . . . 0.0 110.518 -179.511 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -63.18 -39.7 95.39 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 120.733 -1.229 . . . . 0.0 109.595 179.278 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.73 -49.47 58.51 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.44 -0.787 . . . . 0.0 109.48 -179.745 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 77.3 mtm -61.38 -40.18 93.39 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.407 -0.808 . . . . 0.0 110.167 179.689 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.492 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -60.42 -43.51 96.67 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.132 -0.98 . . . . 0.0 109.286 179.952 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 25.0 m -70.25 -37.44 74.94 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.444 -0.785 . . . . 0.0 110.562 -179.497 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -61.57 -39.74 92.22 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.27 -0.894 . . . . 0.0 110.537 -178.666 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -110.61 -3.07 16.1 Favored 'General case' 0 N--CA 1.502 2.17 0 O-C-N 121.387 -0.82 . . . . 0.0 110.188 -179.391 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.492 ' N ' ' O ' ' B' ' 23' ' ' ALA . 58.1 t30 58.32 48.83 11.88 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.4 -0.812 . . . . 0.0 110.222 179.447 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 57.5 mt -112.57 144.19 30.44 Favored Pre-proline 0 N--CA 1.502 2.159 0 O-C-N 121.158 -0.964 . . . . 0.0 109.358 -179.713 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_exo -45.02 145.17 3.26 Favored 'Trans proline' 0 N--CA 1.49 1.288 0 C-N-CA 121.589 1.526 . . . . 0.0 111.546 179.184 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -42.73 -40.7 8.11 Favored 'Trans proline' 0 C--N 1.31 -1.498 0 C-N-CA 121.671 1.581 . . . . 0.0 111.588 179.433 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 60.9 t -51.25 -47.27 33.62 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.779 0 O-C-N 121.543 -0.723 . . . . 0.0 110.384 -178.268 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 48.2 t -65.11 -49.61 78.44 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.885 0 C-N-CA 118.233 -1.387 . . . . 0.0 109.143 -179.003 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.98 -46.92 82.44 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.347 -0.846 . . . . 0.0 109.683 179.794 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 39.9 mtmt -60.74 -36.78 79.73 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.286 -0.884 . . . . 0.0 109.953 -179.77 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 14.6 tm-20 -60.41 -37.51 81.07 Favored 'General case' 0 C--N 1.305 -1.334 0 O-C-N 120.953 -1.092 . . . . 0.0 109.004 -178.911 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 76.8 mt -59.6 -38.7 76.85 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.483 0 O-C-N 121.061 -1.024 . . . . 0.0 108.835 178.818 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 87.0 t -63.29 -39.36 84.99 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.455 0 O-C-N 121.129 -0.982 . . . . 0.0 108.652 179.055 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 38' ' ' ALA . . . . . 0.553 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -59.6 -31.81 69.82 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 -179.827 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 45.3 m -78.09 -30.58 49.66 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 119.848 -0.741 . . . . 0.0 110.179 -179.443 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 43.0 t -83.2 105.08 13.88 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.2 -0.937 . . . . 0.0 109.123 -179.978 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -62.04 -30.14 70.77 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.121 -0.987 . . . . 0.0 110.48 -179.405 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -68.28 -39.9 81.97 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.11 -0.994 . . . . 0.0 111.012 -178.773 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 96.4 m -88.63 -20.89 24.35 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.904 -1.122 . . . . 0.0 109.771 -179.82 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 44' ' ' GLN . . . . . 0.553 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 7.2 tt0 -72.97 -66.78 0.63 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.358 -0.839 . . . . 0.0 109.897 -178.815 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 33.8 mt -80.31 103.74 10.39 Favored 'General case' 0 C--N 1.295 -1.763 0 O-C-N 120.864 -1.147 . . . . 0.0 109.148 179.332 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 4.0 ttmp? -92.63 -14.93 27.48 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.153 -0.967 . . . . 0.0 108.586 179.316 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 47' ' ' GLY . . . . . 0.417 ' C ' ' H ' ' B' ' 49' ' ' ALA . . . 167.56 -143.19 8.04 Favored Glycine 0 N--CA 1.495 2.609 0 N-CA-C 109.293 -1.523 . . . . 0.0 109.293 179.856 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 59.1 tt0 61.17 5.9 1.18 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.178 -1.189 . . . . 0.0 108.398 -179.466 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 49' ' ' ALA . . . . . 0.417 ' H ' ' C ' ' B' ' 47' ' ' GLY . . . -99.44 79.14 2.25 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.143 -0.973 . . . . 0.0 108.817 179.326 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 44.4 ttm -161.62 114.89 1.88 Allowed 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.013 -1.054 . . . . 0.0 109.826 -179.416 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 25.9 t-80 -85.35 118.79 25.11 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.196 -0.94 . . . . 0.0 108.794 179.473 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -85.57 -130.28 2.39 Favored Glycine 0 N--CA 1.494 2.561 0 N-CA-C 110.58 -1.008 . . . . 0.0 110.58 -179.174 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 53' ' ' GLN . . . . . 0.433 ' O ' ' O ' ' B' ' 54' ' ' VAL . 23.6 tt0 58.39 -147.85 0.49 Allowed 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.222 -1.163 . . . . 0.0 108.491 -179.307 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.525 HG12 ' N ' ' B' ' 55' ' ' ASP . 25.2 t 54.95 165.99 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.763 0 O-C-N 121.146 -0.971 . . . . 0.0 110.374 179.143 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.525 ' N ' HG12 ' B' ' 54' ' ' VAL . 51.5 p-10 . . . . . 0 N--CA 1.498 1.974 0 CA-C-O 118.095 -0.955 . . . . 0.0 109.286 179.174 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 . . . . . 0 N--CA 1.494 1.738 0 CA-C-O 121.508 0.671 . . . . 0.0 110.322 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 41.9 mt -71.35 -39.22 71.43 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.147 -0.971 . . . . 0.0 110.668 -178.774 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -66.04 -39.77 90.44 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.019 -1.051 . . . . 0.0 111.227 -178.869 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.11 -49.7 15.28 Favored Glycine 0 N--CA 1.495 2.595 0 N-CA-C 109.97 -1.252 . . . . 0.0 109.97 -179.454 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.526 ' O ' ' N ' ' A' ' 9' ' ' GLN . 84.7 mt -59.89 -40.08 81.81 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.653 0 O-C-N 121.151 -1.205 . . . . 0.0 109.79 -179.738 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -53.02 -47.72 68.13 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 120.781 -1.199 . . . . 0.0 109.359 -178.902 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -69.75 -43.95 71.22 Favored 'General case' 0 C--N 1.302 -1.485 0 C-N-CA 119.038 -1.065 . . . . 0.0 109.236 178.624 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.71 -32.38 73.64 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.0 -1.063 . . . . 0.0 109.985 179.973 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.526 ' N ' ' O ' ' A' ' 5' ' ' ILE . 60.5 tt0 -59.44 -41.11 88.86 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.229 -0.919 . . . . 0.0 109.797 -179.554 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -61.94 -41.72 98.29 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 179.702 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.7 tm-20 -60.94 -40.71 94.31 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 178.745 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.575 ' O ' ' N ' ' A' ' 16' ' ' HIS . 12.8 t60 -63.38 -47.3 82.62 Favored 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 119.325 -0.95 . . . . 0.0 109.856 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -59.94 -41.66 92.3 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.084 -1.01 . . . . 0.0 110.497 -178.842 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.7 mtpp -63.19 -33.63 75.89 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.539 -0.726 . . . . 0.0 112.46 -178.402 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -136.31 -7.64 2.01 Favored 'General case' 0 N--CA 1.508 2.443 0 O-C-N 120.863 -1.148 . . . . 0.0 112.482 -176.864 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.575 ' N ' ' O ' ' A' ' 12' ' ' HIS . 95.7 m-70 55.82 43.93 26.86 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 107.163 -1.421 . . . . 0.0 107.163 -177.74 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 97.8 p -64.21 159.85 19.81 Favored 'General case' 0 C--N 1.303 -1.425 0 CA-C-O 121.576 0.703 . . . . 0.0 110.043 -178.828 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -74.03 160.56 31.13 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 -179.989 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 33.2 p-90 -59.54 -30.33 68.53 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.886 -1.134 . . . . 0.0 110.19 -179.305 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -63.83 -42.15 97.7 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.001 -1.062 . . . . 0.0 110.416 -179.935 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.56 -49.02 70.39 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.204 -0.935 . . . . 0.0 109.722 -179.498 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 76.8 mtm -60.44 -39.96 89.38 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.163 -0.96 . . . . 0.0 109.437 179.863 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.469 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -57.67 -45.33 85.73 Favored 'General case' 0 C--N 1.299 -1.625 0 C-N-CA 119.633 -0.827 . . . . 0.0 109.517 -179.872 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 21.6 t -70.77 -37.85 73.41 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.399 -0.813 . . . . 0.0 109.74 179.738 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -60.65 -41.93 95.95 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.596 -0.69 . . . . 0.0 110.695 -179.45 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -108.51 -0.34 20.47 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.552 -0.717 . . . . 0.0 110.008 -179.455 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.469 ' N ' ' O ' ' A' ' 23' ' ' ALA . 11.3 t-20 56.79 51.39 10.94 Favored 'General case' 0 C--N 1.301 -1.539 0 C-N-CA 119.634 -0.826 . . . . 0.0 109.536 -179.768 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 66.1 mt -121.17 150.49 53.88 Favored Pre-proline 0 N--CA 1.509 2.495 0 O-C-N 121.085 -1.009 . . . . 0.0 108.885 -179.915 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_endo -59.33 148.86 84.51 Favored 'Trans proline' 0 C--N 1.313 -1.311 0 C-N-CA 121.465 1.443 . . . . 0.0 111.646 -179.75 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 27.2 Cg_exo -42.08 -31.71 1.66 Allowed 'Trans proline' 0 C--N 1.31 -1.466 0 C-N-CA 121.952 1.768 . . . . 0.0 110.9 178.972 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 42.8 t -52.76 -52.64 26.08 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.618 0 O-C-N 121.334 -0.854 . . . . 0.0 110.834 -178.234 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 99.3 t -68.27 -49.12 69.72 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.962 0 C-N-CA 118.435 -1.306 . . . . 0.0 109.559 -178.97 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.6 -44.34 94.29 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.243 -0.911 . . . . 0.0 110.611 -179.716 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -61.07 -36.14 78.84 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.832 -1.168 . . . . 0.0 110.457 -179.609 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.6 tm-20 -60.98 -39.47 89.76 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.712 -1.242 . . . . 0.0 110.188 -179.347 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 12.8 mt -60.21 -40.23 83.0 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.453 0 O-C-N 120.915 -1.116 . . . . 0.0 108.976 -179.922 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 74.9 t -62.64 -40.08 87.07 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.621 0 O-C-N 121.303 -0.873 . . . . 0.0 108.878 179.455 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.82 -32.46 70.67 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.394 -0.816 . . . . 0.0 111.222 -179.512 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 41.0 m -80.5 -23.43 40.12 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.967 -1.083 . . . . 0.0 110.417 -178.952 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 41.6 t -86.26 108.01 18.2 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.093 -1.004 . . . . 0.0 110.783 -179.407 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 -63.52 -28.23 69.81 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.456 -0.777 . . . . 0.0 109.43 179.066 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 62.1 mttp -74.88 9.92 1.67 Allowed 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.475 -0.765 . . . . 0.0 109.837 -179.443 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 78.3 m -147.7 -32.4 0.28 Allowed 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.35 -0.844 . . . . 0.0 109.579 -179.981 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 -69.77 -38.41 76.72 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.033 -1.042 . . . . 0.0 109.721 179.785 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 97.0 mt -83.38 46.22 1.12 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.315 -0.866 . . . . 0.0 110.051 -179.807 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 46.1 pttt -83.4 131.71 35.03 Favored 'General case' 0 C--N 1.294 -1.831 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 179.583 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 133.98 179.12 16.11 Favored Glycine 0 N--CA 1.502 3.043 0 N-CA-C 108.681 -1.768 . . . . 0.0 108.681 -178.839 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.577 ' O ' ' N ' ' A' ' 50' ' ' MET . 88.7 mt-10 -59.53 -29.52 67.95 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.227 -1.16 . . . . 0.0 108.813 179.736 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 40.82 -87.14 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.725 -0.609 . . . . 0.0 110.434 179.807 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.577 ' N ' ' O ' ' A' ' 48' ' ' GLU . 21.6 ptt? -64.88 149.82 48.86 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.308 -0.87 . . . . 0.0 110.052 -179.948 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 51.1 t-80 -142.67 148.34 37.2 Favored 'General case' 0 N--CA 1.503 2.18 0 O-C-N 121.07 -1.019 . . . . 0.0 109.391 179.806 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -161.91 -107.11 0.21 Allowed Glycine 0 N--CA 1.496 2.655 0 N-CA-C 110.069 -1.212 . . . . 0.0 110.069 -179.264 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.471 ' C ' ' H ' ' A' ' 55' ' ' ASP . 37.0 tp60 66.4 32.48 7.54 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.596 -0.944 . . . . 0.0 108.802 -179.709 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 6.0 t 55.64 8.29 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 CA-C-O 121.812 0.815 . . . . 0.0 109.009 -179.999 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.471 ' H ' ' C ' ' A' ' 53' ' ' GLN . 65.4 t0 . . . . . 0 N--CA 1.497 1.924 0 CA-C-O 118.256 -0.878 . . . . 0.0 110.376 -179.546 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 . . . . . 0 N--CA 1.492 1.668 0 CA-C-O 121.628 0.727 . . . . 0.0 110.254 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 46.4 mt -68.66 -39.59 80.59 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.209 -0.932 . . . . 0.0 110.468 -178.075 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -64.24 -40.14 95.41 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.349 -0.844 . . . . 0.0 111.144 -179.272 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.29 -50.46 12.25 Favored Glycine 0 N--CA 1.494 2.535 0 N-CA-C 109.926 -1.27 . . . . 0.0 109.926 -179.533 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.519 ' O ' ' N ' ' B' ' 9' ' ' GLN . 87.9 mt -59.6 -39.65 80.04 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.605 0 O-C-N 121.529 -0.983 . . . . 0.0 110.36 -179.444 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -53.26 -49.03 67.74 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 120.876 -1.14 . . . . 0.0 109.419 -179.781 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 61.2 mttp -69.08 -44.91 71.6 Favored 'General case' 0 C--N 1.3 -1.562 0 C-N-CA 119.06 -1.056 . . . . 0.0 109.497 179.244 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.75 -32.8 74.55 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.195 -0.94 . . . . 0.0 110.096 179.99 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 9' ' ' GLN . . . . . 0.519 ' N ' ' O ' ' B' ' 5' ' ' ILE . 61.0 tt0 -59.28 -41.46 88.95 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 121.388 -0.82 . . . . 0.0 109.722 -179.56 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -61.17 -42.64 98.93 Favored 'General case' 0 C--N 1.302 -1.463 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 179.91 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 11.4 tm-20 -60.16 -40.83 91.26 Favored 'General case' 0 N--CA 1.487 1.414 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 178.783 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 12' ' ' HIS . . . . . 0.553 ' O ' ' N ' ' B' ' 16' ' ' HIS . 14.5 t60 -63.49 -47.29 82.37 Favored 'General case' 0 C--N 1.305 -1.338 0 O-C-N 121.283 -0.886 . . . . 0.0 109.976 179.762 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -59.93 -42.03 93.06 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.995 -1.066 . . . . 0.0 110.151 -178.765 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 24.2 mtpp -62.23 -34.52 76.67 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.588 -0.695 . . . . 0.0 112.604 -178.855 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -135.59 -8.88 2.17 Favored 'General case' 0 N--CA 1.514 2.733 0 O-C-N 120.776 -1.203 . . . . 0.0 112.712 -177.1 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.553 ' N ' ' O ' ' B' ' 12' ' ' HIS . 95.3 m-70 57.26 43.03 24.3 Favored 'General case' 0 N--CA 1.496 1.859 0 N-CA-C 107.356 -1.35 . . . . 0.0 107.356 -177.785 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 85.7 p -64.58 159.8 20.99 Favored 'General case' 0 C--N 1.306 -1.301 0 O-C-N 121.572 -0.705 . . . . 0.0 110.495 -178.917 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 -73.69 160.73 31.14 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 179.368 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 34.9 p-90 -59.22 -31.55 69.16 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.993 -1.067 . . . . 0.0 110.257 -179.276 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -62.61 -40.47 97.07 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.17 -0.956 . . . . 0.0 110.413 179.868 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.85 -48.8 65.11 Favored 'General case' 0 C--N 1.298 -1.672 0 O-C-N 121.219 -0.926 . . . . 0.0 110.15 -179.075 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 77.0 mtm -61.15 -39.78 91.36 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.099 -1.0 . . . . 0.0 109.12 179.402 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.527 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -56.44 -46.87 80.1 Favored 'General case' 0 C--N 1.299 -1.622 0 C-N-CA 119.476 -0.89 . . . . 0.0 109.446 -179.602 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 23.3 t -69.92 -39.05 76.39 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.558 -0.714 . . . . 0.0 109.784 179.796 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -59.57 -39.2 83.3 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.547 -0.721 . . . . 0.0 110.403 -179.124 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -111.94 -0.36 15.81 Favored 'General case' 0 N--CA 1.504 2.253 0 O-C-N 121.446 -0.784 . . . . 0.0 110.038 179.796 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.527 ' N ' ' O ' ' B' ' 23' ' ' ALA . 12.9 t-20 56.5 50.27 13.28 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.441 -0.787 . . . . 0.0 110.183 179.861 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 70.9 mt -118.77 150.37 48.27 Favored Pre-proline 0 N--CA 1.505 2.29 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 179.831 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_endo -59.82 148.72 87.18 Favored 'Trans proline' 0 N--CA 1.487 1.11 0 C-N-CA 121.381 1.388 . . . . 0.0 111.424 -179.918 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -43.67 -30.32 2.74 Favored 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 121.501 1.467 . . . . 0.0 111.226 179.768 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 37.3 t -52.52 -52.59 25.18 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.609 0 O-C-N 121.301 -0.875 . . . . 0.0 110.397 -178.678 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 97.6 t -67.95 -50.06 62.84 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.797 0 C-N-CA 118.857 -1.137 . . . . 0.0 109.869 -178.568 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.75 -44.92 94.95 Favored 'General case' 0 C--N 1.297 -1.698 0 O-C-N 121.264 -0.897 . . . . 0.0 110.473 -179.951 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 52.3 mtpt -60.69 -36.79 79.67 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 120.914 -1.116 . . . . 0.0 110.395 -179.826 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -61.05 -39.46 89.93 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.933 -1.104 . . . . 0.0 110.145 -179.76 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 13.5 mt -59.97 -40.66 83.65 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 120.976 -1.078 . . . . 0.0 109.003 179.783 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 78.5 t -63.38 -37.62 80.0 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 O-C-N 121.283 -0.886 . . . . 0.0 109.18 179.329 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.62 -32.0 72.11 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.337 -0.852 . . . . 0.0 111.03 -179.541 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 50.4 m -80.72 -23.22 39.63 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.022 -1.049 . . . . 0.0 110.616 -179.093 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 43.1 t -86.15 108.4 18.3 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.145 -0.972 . . . . 0.0 110.601 -179.047 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -63.84 -29.15 70.37 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.527 -0.733 . . . . 0.0 109.156 178.975 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.96 9.59 1.13 Allowed 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.439 -0.788 . . . . 0.0 109.989 -179.458 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 85.4 m -148.08 -34.15 0.23 Allowed 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.238 -0.913 . . . . 0.0 109.58 -179.713 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 16.8 tt0 -67.26 -38.45 85.15 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.103 -0.998 . . . . 0.0 109.81 179.906 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 91.3 mt -83.27 45.9 1.08 Allowed 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.371 -0.831 . . . . 0.0 110.017 -179.86 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 46' ' ' LYS . . . . . 0.402 ' H ' ' HG2' ' B' ' 46' ' ' LYS . 46.5 pttt -83.14 132.28 35.09 Favored 'General case' 0 C--N 1.296 -1.747 0 O-C-N 121.631 -0.668 . . . . 0.0 109.211 179.684 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 132.59 -178.04 18.37 Favored Glycine 0 N--CA 1.501 2.987 0 N-CA-C 109.039 -1.624 . . . . 0.0 109.039 -178.722 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 48' ' ' GLU . . . . . 0.576 ' O ' ' N ' ' B' ' 50' ' ' MET . 88.2 mt-10 -60.66 -31.94 71.15 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.101 -1.235 . . . . 0.0 109.273 179.646 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . 43.0 -87.62 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.558 -0.714 . . . . 0.0 110.576 -179.995 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 50' ' ' MET . . . . . 0.576 ' N ' ' O ' ' B' ' 48' ' ' GLU . 22.1 ptt? -66.57 149.5 50.38 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.138 -0.976 . . . . 0.0 110.174 -179.582 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 49.5 t-80 -143.27 151.16 40.22 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.283 -0.886 . . . . 0.0 109.511 -179.981 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -164.59 -106.78 0.2 Allowed Glycine 0 N--CA 1.492 2.375 0 N-CA-C 109.58 -1.408 . . . . 0.0 109.58 -179.286 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 53' ' ' GLN . . . . . 0.492 ' C ' ' H ' ' B' ' 55' ' ' ASP . 39.6 tp60 67.42 32.27 5.89 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 121.736 -0.861 . . . . 0.0 109.069 -179.588 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 5.3 t 57.28 5.54 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 CA-C-O 121.988 0.899 . . . . 0.0 109.417 -178.981 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.492 ' H ' ' C ' ' B' ' 53' ' ' GLN . 66.2 t0 . . . . . 0 N--CA 1.494 1.766 0 CA-C-O 117.926 -1.035 . . . . 0.0 109.443 179.577 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.513 ' CE2' ' CE2' ' B' ' 1' ' ' PHE . 77.0 m-85 . . . . . 0 N--CA 1.487 1.413 0 CA-C-O 121.508 0.67 . . . . 0.0 109.477 . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 22.9 mt -73.99 -42.72 59.99 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.424 -0.797 . . . . 0.0 110.687 -178.796 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 62.3 t0 -61.15 -49.73 76.04 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.151 -0.968 . . . . 0.0 111.239 -178.329 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.68 -44.65 89.09 Favored Glycine 0 N--CA 1.488 2.158 0 N-CA-C 109.989 -1.244 . . . . 0.0 109.989 -179.203 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.553 HD11 HG11 ' B' ' 31' ' ' VAL . 74.3 mt -60.17 -40.15 82.69 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.195 -1.179 . . . . 0.0 110.566 -179.606 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -56.81 -47.58 79.95 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.832 -1.168 . . . . 0.0 109.647 -179.202 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -68.79 -40.03 79.83 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.197 -0.939 . . . . 0.0 109.041 178.858 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.15 -36.77 77.76 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.274 -0.892 . . . . 0.0 109.778 179.719 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 5' ' ' ILE . 61.9 tt0 -57.07 -41.53 78.97 Favored 'General case' 0 C--N 1.302 -1.461 0 C-N-CA 119.385 -0.926 . . . . 0.0 109.404 -179.439 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 78.2 tt0 -61.53 -41.21 97.0 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 120.908 -1.12 . . . . 0.0 108.836 179.213 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 19.6 tp10 -61.52 -41.13 96.85 Favored 'General case' 0 N--CA 1.493 1.704 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 178.893 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.556 ' O ' ' N ' ' A' ' 16' ' ' HIS . 15.6 t60 -61.35 -49.81 75.45 Favored 'General case' 0 C--N 1.305 -1.362 0 CA-C-O 121.514 0.673 . . . . 0.0 109.846 179.38 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 31.6 tp10 -59.76 -40.57 88.61 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 121.176 -0.953 . . . . 0.0 110.112 -178.768 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.1 mtpp -60.56 -39.3 87.49 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.172 -0.955 . . . . 0.0 112.254 -178.663 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -133.68 -3.0 2.96 Favored 'General case' 0 N--CA 1.51 2.551 0 O-C-N 120.961 -1.087 . . . . 0.0 112.701 -176.967 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.556 ' N ' ' O ' ' A' ' 12' ' ' HIS . 93.6 m-70 54.45 46.85 24.12 Favored 'General case' 0 N--CA 1.498 1.966 0 N-CA-C 107.335 -1.357 . . . . 0.0 107.335 -177.613 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 96.7 p -66.26 154.64 39.34 Favored 'General case' 0 C--N 1.302 -1.473 0 CA-C-O 121.459 0.647 . . . . 0.0 110.121 -178.489 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -70.9 159.16 35.17 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.184 -0.948 . . . . 0.0 108.84 179.96 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 27.6 p-90 -58.21 -27.98 64.41 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.363 -0.835 . . . . 0.0 110.076 -179.187 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -64.48 -39.84 94.56 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.029 -1.045 . . . . 0.0 110.213 179.648 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.42 -45.17 69.81 Favored 'General case' 0 C--N 1.298 -1.644 0 O-C-N 121.26 -0.9 . . . . 0.0 109.835 -179.093 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 79.8 mtm -63.44 -39.98 95.93 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.137 -0.977 . . . . 0.0 109.628 -179.958 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.487 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -56.56 -46.6 80.63 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.317 -0.864 . . . . 0.0 109.601 -179.966 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 27.8 t -70.84 -38.21 73.2 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.375 -0.828 . . . . 0.0 110.161 179.931 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -60.08 -39.46 86.19 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.191 -0.943 . . . . 0.0 110.41 -179.343 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -112.6 2.66 16.29 Favored 'General case' 0 N--CA 1.502 2.165 0 O-C-N 121.305 -0.872 . . . . 0.0 109.761 -179.746 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.487 ' N ' ' O ' ' A' ' 23' ' ' ALA . 83.2 m-20 54.41 49.06 19.22 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.499 -0.751 . . . . 0.0 109.968 179.949 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 73.8 mt -117.78 151.62 48.86 Favored Pre-proline 0 N--CA 1.505 2.318 0 O-C-N 121.317 -0.864 . . . . 0.0 108.838 179.786 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_endo -60.32 161.33 20.35 Favored 'Trans proline' 0 N--CA 1.49 1.282 0 C-N-CA 121.702 1.601 . . . . 0.0 111.067 179.912 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_endo -54.77 -34.14 83.45 Favored 'Trans proline' 0 C--N 1.302 -1.886 0 C-N-CA 122.361 2.041 . . . . 0.0 111.613 179.846 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.529 HG11 HD11 ' B' ' 5' ' ' ILE . 95.4 t -54.27 -48.97 66.49 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.577 0 O-C-N 121.339 -0.85 . . . . 0.0 110.131 -178.79 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 68.6 t -68.05 -46.37 81.74 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.923 0 C-N-CA 118.239 -1.384 . . . . 0.0 109.48 -179.689 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.95 -45.14 86.97 Favored 'General case' 0 C--N 1.294 -1.812 0 C-N-CA 119.705 -0.798 . . . . 0.0 110.365 179.924 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.9 mtmm -62.7 -35.69 80.52 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 120.555 -1.341 . . . . 0.0 110.408 -179.505 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.8 tm-20 -59.9 -38.77 83.23 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.764 -1.21 . . . . 0.0 109.149 -179.359 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 21.4 mt -60.03 -40.24 82.62 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 120.834 -1.166 . . . . 0.0 108.396 179.49 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 97.0 t -62.86 -39.72 86.06 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.441 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 179.086 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.87 -30.52 71.58 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 179.508 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.3 m -79.46 -27.31 41.6 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.235 -0.916 . . . . 0.0 109.188 179.793 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 35.8 t -82.59 103.34 12.05 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.195 -0.941 . . . . 0.0 109.107 179.669 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -60.65 -29.52 69.32 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.275 -0.891 . . . . 0.0 110.699 -179.688 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 48.5 mtpt -70.41 -40.84 73.63 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.076 -1.015 . . . . 0.0 110.887 -178.768 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 81.4 m -85.99 -23.52 26.82 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.058 -1.026 . . . . 0.0 109.808 -179.911 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -75.51 -66.04 0.82 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.222 -0.924 . . . . 0.0 110.532 -178.588 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 84.3 mt -80.47 61.72 4.31 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.214 -0.929 . . . . 0.0 109.713 -179.268 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 17.8 pttp -88.27 -0.56 57.26 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.508 -0.745 . . . . 0.0 109.068 179.451 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -80.01 169.43 53.01 Favored Glycine 0 N--CA 1.489 2.221 0 N-CA-C 109.62 -1.392 . . . . 0.0 109.62 -179.783 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -88.98 143.65 26.71 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.325 -1.103 . . . . 0.0 109.647 179.846 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -79.22 159.51 27.3 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.468 -0.77 . . . . 0.0 109.406 -179.836 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.423 ' O ' ' O ' ' B' ' 50' ' ' MET . 1.1 tmt? -72.54 133.05 44.58 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.025 -1.047 . . . . 0.0 109.893 -179.296 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 5.3 p80 -150.35 179.34 8.21 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.379 -0.825 . . . . 0.0 109.122 -179.983 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -153.74 10.83 0.51 Allowed Glycine 0 N--CA 1.494 2.544 0 N-CA-C 109.42 -1.472 . . . . 0.0 109.42 179.798 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.464 ' C ' ' H ' ' A' ' 55' ' ' ASP . 84.2 mm-40 53.53 23.09 3.28 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.311 -1.111 . . . . 0.0 108.783 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.0 t 57.48 7.79 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.299 -1.593 0 CA-C-O 121.94 0.876 . . . . 0.0 108.928 -179.436 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.464 ' H ' ' C ' ' A' ' 53' ' ' GLN . 89.5 m-20 . . . . . 0 C--N 1.298 -1.658 0 CA-C-O 117.962 -1.018 . . . . 0.0 109.727 -179.922 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 1' ' ' PHE . . . . . 0.513 ' CE2' ' CE2' ' A' ' 1' ' ' PHE . 74.1 m-85 . . . . . 0 N--CA 1.488 1.453 0 CA-C-O 121.484 0.659 . . . . 0.0 109.729 . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 17.0 mt -74.53 -41.7 60.15 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.153 -0.967 . . . . 0.0 110.859 -178.948 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -62.27 -49.81 74.2 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.319 -0.863 . . . . 0.0 111.308 -178.251 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.67 -45.66 82.6 Favored Glycine 0 N--CA 1.484 1.887 0 N-CA-C 109.759 -1.336 . . . . 0.0 109.759 -178.927 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.529 HD11 HG11 ' A' ' 31' ' ' VAL . 72.7 mt -59.3 -40.25 80.91 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.47 0 O-C-N 121.401 -1.058 . . . . 0.0 110.607 -179.572 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -57.0 -45.88 82.68 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.761 -1.212 . . . . 0.0 109.542 -178.99 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -70.41 -40.07 74.09 Favored 'General case' 0 C--N 1.303 -1.451 0 C-N-CA 119.189 -1.004 . . . . 0.0 108.814 179.032 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.16 -37.61 81.19 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.341 -0.849 . . . . 0.0 109.531 179.747 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -56.19 -42.45 77.16 Favored 'General case' 0 C--N 1.302 -1.469 0 C-N-CA 119.306 -0.958 . . . . 0.0 109.556 -179.802 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 79.4 tt0 -60.7 -41.48 95.26 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.985 -1.072 . . . . 0.0 108.734 179.304 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 19.1 tp10 -61.51 -41.0 96.65 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.035 -1.041 . . . . 0.0 108.385 178.92 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 12' ' ' HIS . . . . . 0.534 ' O ' ' N ' ' B' ' 16' ' ' HIS . 14.6 t60 -61.72 -48.81 79.05 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 119.807 -0.757 . . . . 0.0 109.869 179.229 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 31.0 tp10 -59.96 -40.67 89.81 Favored 'General case' 0 C--N 1.297 -1.702 0 O-C-N 121.029 -1.044 . . . . 0.0 109.931 -178.448 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 25.5 mtpp -60.76 -38.14 84.22 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.295 -0.878 . . . . 0.0 112.507 -178.701 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -135.19 -1.89 2.58 Favored 'General case' 0 N--CA 1.507 2.403 0 O-C-N 120.868 -1.145 . . . . 0.0 112.67 -176.641 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.534 ' N ' ' O ' ' B' ' 12' ' ' HIS . 92.8 m-70 54.19 42.83 31.34 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.557 -1.34 . . . . 0.0 107.605 -178.047 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 85.5 p -61.54 155.58 21.74 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.698 -0.626 . . . . 0.0 110.437 -178.781 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 68.8 m-20 -72.45 158.84 34.99 Favored 'General case' 0 N--CA 1.486 1.367 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 179.713 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 27.4 p-90 -57.88 -29.08 64.75 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.195 -0.941 . . . . 0.0 110.056 -179.231 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -62.74 -40.35 96.95 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.104 -0.998 . . . . 0.0 109.994 179.634 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.78 -47.06 64.29 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.29 -0.881 . . . . 0.0 109.773 -179.086 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 79.1 mtm -61.01 -39.71 90.8 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.94 -1.1 . . . . 0.0 109.804 179.793 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.504 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -57.12 -47.34 81.35 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.179 -0.951 . . . . 0.0 109.54 -179.814 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 22.8 t -70.31 -36.99 74.67 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.328 -0.857 . . . . 0.0 110.137 179.75 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 60.0 t0 -60.83 -40.37 92.55 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.338 -0.851 . . . . 0.0 110.453 -179.304 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -111.66 2.68 17.39 Favored 'General case' 0 N--CA 1.504 2.253 0 O-C-N 121.326 -0.859 . . . . 0.0 109.957 179.899 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.504 ' N ' ' O ' ' B' ' 23' ' ' ALA . 84.5 m-20 54.85 49.08 18.61 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.408 -0.807 . . . . 0.0 109.847 179.885 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 74.9 mt -117.67 150.83 47.58 Favored Pre-proline 0 N--CA 1.502 2.156 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 179.805 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -60.07 161.46 19.18 Favored 'Trans proline' 0 N--CA 1.491 1.35 0 C-N-CA 121.65 1.567 . . . . 0.0 110.999 179.69 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_endo -54.77 -34.26 83.96 Favored 'Trans proline' 0 C--N 1.303 -1.824 0 C-N-CA 122.412 2.075 . . . . 0.0 111.535 179.954 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.553 HG11 HD11 ' A' ' 5' ' ' ILE . 89.9 t -53.73 -49.92 54.48 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.741 0 O-C-N 121.289 -0.882 . . . . 0.0 109.789 -178.607 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 87.0 t -67.38 -47.39 81.13 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.986 0 C-N-CA 118.402 -1.319 . . . . 0.0 109.422 -179.188 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.19 -45.55 87.83 Favored 'General case' 0 C--N 1.298 -1.663 0 O-C-N 121.354 -0.841 . . . . 0.0 110.243 179.909 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 17.5 mtmm -61.89 -36.17 80.51 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 120.615 -1.303 . . . . 0.0 110.497 -179.458 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -59.63 -39.2 83.54 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.566 -1.334 . . . . 0.0 109.595 -179.517 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 21.6 mt -59.54 -39.76 80.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 120.807 -1.183 . . . . 0.0 107.855 179.674 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 87.9 t -63.79 -39.99 87.4 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.503 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 179.272 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 38' ' ' ALA . . . . . 0.525 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -61.96 -31.13 71.44 Favored 'General case' 0 C--N 1.299 -1.609 0 N-CA-C 108.62 -0.882 . . . . 0.0 108.62 179.177 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 7.4 m -78.44 -27.21 46.44 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.234 -0.916 . . . . 0.0 109.272 179.959 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 38.2 t -83.0 102.96 12.09 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.044 -1.035 . . . . 0.0 109.425 -179.937 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -60.55 -28.51 68.49 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.26 -0.9 . . . . 0.0 110.619 -179.787 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 48.3 mtpt -71.49 -41.58 69.13 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.114 -0.992 . . . . 0.0 110.802 -178.86 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 83.7 m -85.75 -23.72 27.18 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.912 -1.118 . . . . 0.0 109.867 -179.955 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 44' ' ' GLN . . . . . 0.525 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 6.8 tt0 -75.1 -65.82 0.83 Allowed 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.281 -0.887 . . . . 0.0 110.556 -178.703 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 85.3 mt -81.17 61.38 4.68 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.213 -0.93 . . . . 0.0 110.186 -179.284 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 17.2 pttp -87.34 0.56 55.26 Favored 'General case' 0 C--N 1.295 -1.778 0 N-CA-C 108.971 -0.752 . . . . 0.0 108.971 179.152 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -80.2 169.29 52.68 Favored Glycine 0 N--CA 1.491 2.356 0 N-CA-C 109.722 -1.351 . . . . 0.0 109.722 -179.592 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 -90.28 139.88 30.23 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.281 -1.129 . . . . 0.0 109.642 -179.696 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.29 158.82 33.36 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.405 -0.809 . . . . 0.0 109.24 179.579 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 50' ' ' MET . . . . . 0.423 ' O ' ' O ' ' A' ' 50' ' ' MET . 1.2 tmt? -72.7 134.55 45.09 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.136 -0.978 . . . . 0.0 109.667 -179.52 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 6.3 p80 -151.45 178.59 9.14 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.262 -0.899 . . . . 0.0 109.227 -179.977 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -153.19 11.4 0.57 Allowed Glycine 0 N--CA 1.497 2.731 0 N-CA-C 109.188 -1.565 . . . . 0.0 109.188 179.909 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 53' ' ' GLN . . . . . 0.478 ' C ' ' H ' ' B' ' 55' ' ' ASP . 83.5 mm-40 53.15 25.49 4.29 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.472 -1.017 . . . . 0.0 108.793 -179.948 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 3.2 t 56.03 7.51 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.764 0 CA-C-O 122.022 0.915 . . . . 0.0 109.308 -179.436 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.478 ' H ' ' C ' ' B' ' 53' ' ' GLN . 93.8 m-20 . . . . . 0 C--N 1.293 -1.849 0 CA-C-O 118.083 -0.961 . . . . 0.0 109.457 -179.614 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.421 ' O ' HD12 ' A' ' 5' ' ' ILE . 71.9 m-85 . . . . . 0 N--CA 1.492 1.636 0 CA-C-O 121.287 0.565 . . . . 0.0 110.437 . . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 45.6 mt -70.61 -32.63 70.05 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.295 -0.878 . . . . 0.0 111.21 -177.763 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -63.75 -51.59 64.19 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.042 -1.036 . . . . 0.0 110.578 -178.196 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.44 -43.02 93.42 Favored Glycine 0 N--CA 1.488 2.118 0 N-CA-C 109.553 -1.419 . . . . 0.0 109.553 -179.897 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.421 HD12 ' O ' ' A' ' 1' ' ' PHE . 80.3 mt -59.66 -39.98 81.02 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 O-C-N 121.413 -1.051 . . . . 0.0 110.306 -179.039 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -56.24 -46.0 79.78 Favored 'General case' 0 N--CA 1.49 1.568 0 C-N-CA 119.129 -1.028 . . . . 0.0 108.917 -179.318 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 60.0 mttp -70.0 -39.79 75.68 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 120.848 -1.158 . . . . 0.0 109.28 179.158 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.28 -38.41 81.67 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.588 -0.695 . . . . 0.0 109.489 -179.808 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -58.29 -39.97 80.71 Favored 'General case' 0 N--CA 1.485 1.285 0 O-C-N 121.237 -0.914 . . . . 0.0 109.835 -178.991 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 77.8 tt0 -63.13 -41.08 99.24 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.092 -1.005 . . . . 0.0 109.907 179.772 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.501 ' CD ' ' HG ' ' A' ' 17' ' ' SER . 14.3 tm-20 -60.9 -43.93 97.84 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.236 -0.915 . . . . 0.0 109.259 179.48 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.509 ' O ' ' N ' ' A' ' 16' ' ' HIS . 14.7 t60 -61.03 -42.63 98.83 Favored 'General case' 0 C--N 1.301 -1.508 0 C-N-CA 119.493 -0.883 . . . . 0.0 110.222 -179.729 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.4 tp10 -61.08 -42.77 99.13 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 120.574 -1.329 . . . . 0.0 110.574 -179.385 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -63.54 -38.94 93.04 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.816 -0.553 . . . . 0.0 112.356 -178.7 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 33.2 m-85 -131.63 -0.92 3.89 Favored 'General case' 0 N--CA 1.508 2.436 0 O-C-N 120.897 -1.127 . . . . 0.0 113.269 -176.629 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.509 ' N ' ' O ' ' A' ' 12' ' ' HIS . 92.7 m-70 52.09 41.78 30.15 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 120.177 -1.577 . . . . 0.0 107.219 -178.659 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.501 ' HG ' ' CD ' ' A' ' 11' ' ' GLU . 6.7 p -62.52 150.32 40.59 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.465 -0.772 . . . . 0.0 109.819 -178.449 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 28.1 m120 -68.81 152.96 44.63 Favored 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 108.164 -1.051 . . . . 0.0 108.164 179.746 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 46.4 p-90 -55.01 -30.14 58.85 Favored 'General case' 0 C--N 1.299 -1.616 0 C-N-CA 119.633 -0.827 . . . . 0.0 109.268 -178.591 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -62.77 -43.76 97.95 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 120.777 -1.202 . . . . 0.0 110.249 179.81 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.33 -44.92 70.67 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.623 -1.298 . . . . 0.0 108.94 179.734 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 21.8 mtp -61.71 -44.36 97.08 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.527 -0.733 . . . . 0.0 110.19 -179.879 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.51 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -58.26 -44.61 88.43 Favored 'General case' 0 C--N 1.296 -1.731 0 C-N-CA 118.996 -1.081 . . . . 0.0 109.04 179.457 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 51.0 m -68.97 -34.9 76.07 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.22 -0.925 . . . . 0.0 109.563 179.913 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -61.44 -41.35 97.05 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.33 -0.856 . . . . 0.0 110.092 -179.834 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -110.03 4.08 20.98 Favored 'General case' 0 N--CA 1.505 2.304 0 O-C-N 121.614 -0.679 . . . . 0.0 110.835 -179.689 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.51 ' N ' ' O ' ' A' ' 23' ' ' ALA . 70.0 m-20 53.82 46.81 24.99 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.372 -0.83 . . . . 0.0 110.779 179.312 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 79.1 mt -113.29 152.7 45.39 Favored Pre-proline 0 N--CA 1.512 2.66 0 O-C-N 121.352 -0.842 . . . . 0.0 108.841 -179.82 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_endo -62.01 161.3 26.51 Favored 'Trans proline' 0 N--CA 1.493 1.448 0 C-N-CA 121.622 1.548 . . . . 0.0 110.713 179.897 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo -55.84 -35.54 93.96 Favored 'Trans proline' 0 C--N 1.301 -1.959 0 C-N-CA 122.413 2.075 . . . . 0.0 111.742 -178.937 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 73.7 t -57.28 -49.57 79.52 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.717 0 O-C-N 120.782 -1.199 . . . . 0.0 110.571 -178.666 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 61.9 t -65.61 -48.27 83.24 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.736 0 O-C-N 120.394 -1.441 . . . . 0.0 109.083 -178.889 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.43 -44.27 83.38 Favored 'General case' 0 N--CA 1.494 1.733 0 C-N-CA 119.515 -0.874 . . . . 0.0 110.868 179.891 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 50.8 mtpt -63.12 -35.31 79.85 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.99 -1.069 . . . . 0.0 110.24 -179.598 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.3 tm-20 -61.54 -39.71 92.05 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 120.902 -1.124 . . . . 0.0 109.733 -178.857 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 92.8 mt -60.13 -38.91 78.88 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.43 0 O-C-N 120.921 -1.112 . . . . 0.0 108.323 179.77 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 64.2 t -63.58 -40.64 89.79 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 179.287 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.01 -30.22 69.01 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.406 -0.809 . . . . 0.0 108.964 179.64 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.6 m -78.34 -25.82 46.56 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.912 -1.118 . . . . 0.0 109.031 -179.968 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 41.9 t -81.06 101.36 9.54 Favored 'General case' 0 N--CA 1.491 1.582 0 N-CA-C 108.404 -0.962 . . . . 0.0 108.404 178.794 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -59.54 -31.12 69.12 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.337 -0.852 . . . . 0.0 111.222 -179.416 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -69.4 -40.32 77.41 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.127 -0.983 . . . . 0.0 111.133 -178.007 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 56.9 m -81.17 -24.88 37.24 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.974 -1.079 . . . . 0.0 109.726 179.904 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 54.6 tt0 -75.36 -72.84 0.28 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.922 -1.111 . . . . 0.0 109.299 -179.269 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 50.4 mt -84.37 99.17 10.46 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.332 -0.855 . . . . 0.0 108.907 178.867 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 48.5 mtmt -96.14 10.77 36.61 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.545 -0.722 . . . . 0.0 109.772 179.98 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 101.62 -175.98 25.95 Favored Glycine 0 N--CA 1.503 3.147 0 N-CA-C 110.111 -1.196 . . . . 0.0 110.111 -179.707 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 73.2 tt0 54.08 42.16 31.71 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.2 -1.177 . . . . 0.0 108.242 179.598 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.419 ' HB3' ' H ' ' B' ' 50' ' ' MET . . . -97.45 -111.76 0.15 Allowed 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.347 -0.846 . . . . 0.0 109.886 -179.089 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.54 ' O ' ' O ' ' B' ' 50' ' ' MET . 17.8 tpt -86.28 130.35 34.54 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.128 -0.983 . . . . 0.0 109.494 -179.869 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -88.18 140.27 29.65 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.445 -1.409 . . . . 0.0 110.176 -179.771 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -85.31 -140.68 5.35 Favored Glycine 0 N--CA 1.484 1.838 0 N-CA-C 109.201 -1.56 . . . . 0.0 109.201 179.632 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.436 ' O ' ' O ' ' A' ' 54' ' ' VAL . 36.7 mt-30 -61.97 148.34 44.08 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.667 -0.902 . . . . 0.0 109.703 179.844 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.436 ' O ' ' O ' ' A' ' 53' ' ' GLN . 5.9 t 57.95 158.84 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.302 -1.49 0 O-C-N 121.579 -0.7 . . . . 0.0 109.383 179.158 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 . . . . . 0 C--N 1.298 -1.65 0 O-C-N 120.907 -1.121 . . . . 0.0 108.745 179.719 . . . . . . . . 0 0 . 1 . 031 nuclear build full ' B' B ' 1' ' ' PHE . . . . . 0.426 ' O ' HD12 ' B' ' 5' ' ' ILE . 81.2 m-85 . . . . . 0 N--CA 1.488 1.429 0 CA-C-O 121.185 0.517 . . . . 0.0 110.325 . . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 40.7 mt -69.01 -35.39 76.61 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.057 -1.027 . . . . 0.0 111.176 -177.685 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 54.9 t0 -60.38 -52.47 65.12 Favored 'General case' 0 N--CA 1.502 2.143 0 O-C-N 120.581 -1.324 . . . . 0.0 110.658 -178.882 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.28 -43.45 95.21 Favored Glycine 0 N--CA 1.493 2.471 0 N-CA-C 109.431 -1.468 . . . . 0.0 109.431 -179.814 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.426 HD12 ' O ' ' B' ' 1' ' ' PHE . 76.3 mt -59.69 -38.96 78.29 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.427 0 O-C-N 121.562 -0.963 . . . . 0.0 111.003 -179.45 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -58.06 -45.27 87.37 Favored 'General case' 0 C--N 1.299 -1.603 0 C-N-CA 118.475 -1.29 . . . . 0.0 108.829 -178.399 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 58.3 mttp -70.17 -39.67 75.16 Favored 'General case' 0 N--CA 1.487 1.406 0 C-N-CA 118.977 -1.089 . . . . 0.0 109.214 179.617 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.53 -40.55 85.08 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.356 -0.84 . . . . 0.0 109.402 179.904 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 57.9 tt0 -55.87 -40.83 73.49 Favored 'General case' 0 C--N 1.303 -1.423 0 C-N-CA 119.326 -0.949 . . . . 0.0 110.011 -178.513 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -62.4 -41.13 98.42 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.084 -1.01 . . . . 0.0 109.448 -179.91 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 11' ' ' GLU . . . . . 0.401 ' OE1' ' OG ' ' B' ' 17' ' ' SER . 13.7 tm-20 -61.17 -42.96 99.49 Favored 'General case' 0 C--N 1.305 -1.353 0 C-N-CA 119.59 -0.844 . . . . 0.0 109.127 179.155 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 12' ' ' HIS . . . . . 0.563 ' O ' ' N ' ' B' ' 16' ' ' HIS . 15.0 t60 -61.85 -44.7 96.3 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.137 -0.977 . . . . 0.0 110.134 -179.404 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 40.7 tp10 -60.31 -43.1 96.63 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.861 -1.15 . . . . 0.0 110.672 -179.503 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 49.4 mtmt -63.09 -36.3 83.13 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.16 -0.963 . . . . 0.0 112.458 -178.885 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 44.9 m-85 -133.96 -1.05 3.03 Favored 'General case' 0 N--CA 1.508 2.457 0 O-C-N 120.887 -1.133 . . . . 0.0 112.687 -176.618 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.563 ' N ' ' O ' ' B' ' 12' ' ' HIS . 92.4 m-70 52.03 42.01 30.15 Favored 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 107.351 -1.352 . . . . 0.0 107.351 -178.358 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 17' ' ' SER . . . . . 0.401 ' OG ' ' OE1' ' B' ' 11' ' ' GLU . 11.8 p -61.87 151.94 33.16 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.873 -0.517 . . . . 0.0 110.215 -178.405 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 28.3 m120 -70.71 150.7 45.67 Favored 'General case' 0 C--N 1.306 -1.29 0 C-N-CA 119.408 -0.917 . . . . 0.0 108.698 179.406 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 43.7 p-90 -52.23 -30.03 25.56 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.545 -0.722 . . . . 0.0 109.616 -179.504 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -62.99 -43.94 97.41 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 120.776 -1.202 . . . . 0.0 110.198 179.848 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.51 -44.64 70.63 Favored 'General case' 0 C--N 1.298 -1.663 0 O-C-N 120.917 -1.114 . . . . 0.0 108.878 -179.835 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 26.7 mtp -61.15 -43.56 98.68 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.671 -0.643 . . . . 0.0 109.937 179.985 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.508 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -59.47 -43.46 93.24 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.003 -1.061 . . . . 0.0 109.269 179.603 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 45.6 m -70.16 -36.54 74.79 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.257 -0.902 . . . . 0.0 109.793 179.441 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 67.9 t0 -60.35 -41.64 94.07 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.482 -0.761 . . . . 0.0 110.0 -179.866 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -109.97 4.42 21.4 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.613 -0.679 . . . . 0.0 110.72 -179.773 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.508 ' N ' ' O ' ' B' ' 23' ' ' ALA . 75.6 m-20 52.89 47.0 25.63 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.109 -0.995 . . . . 0.0 110.263 179.307 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 82.2 mt -113.21 151.88 44.64 Favored Pre-proline 0 N--CA 1.506 2.33 0 O-C-N 121.166 -0.959 . . . . 0.0 108.93 179.806 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_endo -59.88 161.7 17.97 Favored 'Trans proline' 0 N--CA 1.495 1.593 0 C-N-CA 121.766 1.644 . . . . 0.0 110.633 179.799 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_endo -56.41 -37.95 96.16 Favored 'Trans proline' 0 C--N 1.301 -1.95 0 C-N-CA 122.413 2.076 . . . . 0.0 111.586 -179.338 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 96.8 t -55.53 -48.9 76.78 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.102 -0.999 . . . . 0.0 110.765 -178.565 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 78.4 t -66.84 -45.8 86.8 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.67 0 C-N-CA 117.804 -1.558 . . . . 0.0 108.933 -178.743 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.73 -45.75 70.71 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.075 -1.015 . . . . 0.0 110.451 179.709 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 52.1 mtpt -61.36 -33.95 74.49 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.149 -0.97 . . . . 0.0 110.641 -179.957 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 35' ' ' GLU . . . . . 0.417 ' OE1' ' C ' ' B' ' 35' ' ' GLU . 12.8 tm-20 -62.64 -39.73 94.78 Favored 'General case' 0 C--N 1.3 -1.558 0 C-N-CA 118.834 -1.146 . . . . 0.0 109.446 -179.149 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 86.3 mt -59.64 -38.58 76.34 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.539 0 O-C-N 121.055 -1.028 . . . . 0.0 108.433 179.554 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 58.2 t -63.89 -39.91 87.16 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 121.308 -0.87 . . . . 0.0 108.719 179.301 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 38' ' ' ALA . . . . . 0.504 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -61.18 -30.28 70.32 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.389 -0.819 . . . . 0.0 109.125 179.157 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 48.9 m -77.75 -24.82 48.93 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.314 -0.866 . . . . 0.0 108.955 179.933 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 41.7 t -82.15 100.98 10.14 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.103 -0.998 . . . . 0.0 108.527 178.965 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -60.39 -30.25 69.47 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.789 -1.194 . . . . 0.0 110.737 -179.311 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -69.95 -39.89 75.76 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 120.859 -1.151 . . . . 0.0 111.058 -178.839 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 58.2 m -82.74 -23.84 33.81 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.783 -1.198 . . . . 0.0 109.907 -179.898 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 44' ' ' GLN . . . . . 0.504 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 8.5 tt0 -75.94 -72.67 0.31 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.16 -0.963 . . . . 0.0 109.51 -179.898 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 50.9 mt -84.66 96.01 9.08 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.346 -0.846 . . . . 0.0 108.889 179.426 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 48.3 mtmt -92.74 10.17 31.92 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 122.077 -0.39 . . . . 0.0 109.971 179.993 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 102.5 -175.32 24.49 Favored Glycine 0 N--CA 1.501 2.998 0 N-CA-C 109.992 -1.243 . . . . 0.0 109.992 -179.795 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 73.2 tt0 53.16 43.36 31.68 Favored 'General case' 0 C--N 1.305 -1.328 0 O-C-N 121.139 -1.212 . . . . 0.0 108.814 178.974 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 49' ' ' ALA . . . . . 0.432 ' HB3' ' H ' ' A' ' 50' ' ' MET . . . -98.46 -107.15 0.19 Allowed 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.386 -0.821 . . . . 0.0 110.082 -179.146 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 50' ' ' MET . . . . . 0.54 ' O ' ' O ' ' A' ' 50' ' ' MET . 17.8 tpt -90.14 128.75 36.42 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.239 -0.913 . . . . 0.0 108.906 -179.619 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -86.76 141.97 28.48 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 120.879 -1.138 . . . . 0.0 109.43 179.684 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -85.7 -136.03 3.88 Favored Glycine 0 N--CA 1.488 2.122 0 N-CA-C 109.092 -1.603 . . . . 0.0 109.092 179.577 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 53' ' ' GLN . . . . . 0.409 ' O ' ' O ' ' B' ' 54' ' ' VAL . 37.1 mt-30 -66.24 147.81 52.77 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.123 -1.222 . . . . 0.0 109.944 -179.659 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.409 ' O ' ' O ' ' B' ' 53' ' ' GLN . 4.7 t 58.85 159.29 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 O-C-N 121.192 -0.942 . . . . 0.0 109.682 179.064 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 . . . . . 0 C--N 1.303 -1.424 0 CA-C-O 118.044 -0.979 . . . . 0.0 109.137 -179.926 . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 . . . . . 0 N--CA 1.489 1.489 0 CA-C-O 121.151 0.5 . . . . 0.0 109.796 . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 20.3 mt -75.39 -42.08 54.72 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.431 -0.793 . . . . 0.0 111.06 -178.756 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -65.1 -49.42 70.06 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.287 -0.883 . . . . 0.0 111.097 -178.175 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.59 -47.48 86.57 Favored Glycine 0 N--CA 1.494 2.528 0 N-CA-C 110.18 -1.168 . . . . 0.0 110.18 -179.085 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.552 HD11 HG11 ' B' ' 31' ' ' VAL . 96.5 mt -59.79 -40.38 82.42 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.504 0 O-C-N 121.309 -1.113 . . . . 0.0 110.584 -179.878 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -51.95 -42.1 62.59 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 120.841 -1.162 . . . . 0.0 109.04 -179.377 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 48.0 mttm -70.65 -46.6 62.95 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.199 -0.938 . . . . 0.0 109.831 178.349 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.42 -34.31 77.99 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.683 -0.635 . . . . 0.0 109.673 179.921 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -59.06 -39.85 83.36 Favored 'General case' 0 C--N 1.306 -1.285 0 C-N-CA 119.445 -0.902 . . . . 0.0 108.807 -179.351 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 37.0 tp10 -62.34 -40.65 97.06 Favored 'General case' 0 N--CA 1.486 1.355 0 O-C-N 120.921 -1.112 . . . . 0.0 108.752 179.248 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -60.82 -39.9 90.71 Favored 'General case' 0 N--CA 1.486 1.328 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 179.705 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.562 ' O ' ' N ' ' A' ' 16' ' ' HIS . 17.3 t60 -61.55 -45.44 94.15 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 119.458 -0.897 . . . . 0.0 109.898 179.705 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -60.66 -43.51 97.57 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.127 -0.983 . . . . 0.0 110.239 -179.178 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 46.4 mtmt -60.73 -33.82 73.48 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 112.955 0.724 . . . . 0.0 112.955 -178.52 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -136.78 -5.68 1.94 Allowed 'General case' 0 N--CA 1.506 2.375 0 O-C-N 121.018 -1.051 . . . . 0.0 112.463 -177.096 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.562 ' N ' ' O ' ' A' ' 12' ' ' HIS . 89.9 m-70 54.73 42.43 31.21 Favored 'General case' 0 N--CA 1.496 1.869 0 N-CA-C 107.558 -1.275 . . . . 0.0 107.558 -177.621 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 91.3 p -65.87 154.8 38.23 Favored 'General case' 0 C--N 1.303 -1.44 0 CA-C-O 121.567 0.699 . . . . 0.0 110.697 -178.518 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -70.91 159.98 33.68 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.493 -0.755 . . . . 0.0 109.337 179.413 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 51.0 p-90 -57.29 -30.32 64.62 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.054 -1.029 . . . . 0.0 110.332 -179.779 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 83.4 mtm180 -62.69 -41.72 99.25 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.108 -0.995 . . . . 0.0 110.51 -179.818 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.13 -47.87 66.95 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.988 -1.07 . . . . 0.0 109.513 -179.371 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 78.1 mtm -60.83 -40.34 92.42 Favored 'General case' 0 C--N 1.301 -1.505 0 C-N-CA 119.546 -0.861 . . . . 0.0 109.662 179.548 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.49 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -57.81 -46.01 85.3 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.224 -0.923 . . . . 0.0 109.328 -179.672 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 28.9 t -69.99 -38.76 76.11 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.066 -1.021 . . . . 0.0 109.929 179.546 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 -59.89 -40.48 88.87 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.236 -0.915 . . . . 0.0 110.652 -178.861 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -109.11 0.31 19.77 Favored 'General case' 0 N--CA 1.502 2.128 0 O-C-N 121.492 -0.755 . . . . 0.0 110.007 -179.688 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.49 ' N ' ' O ' ' A' ' 23' ' ' ALA . 73.3 m-20 54.82 47.13 23.05 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.457 -0.777 . . . . 0.0 109.369 179.765 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 40.9 mt -111.1 152.37 43.67 Favored Pre-proline 0 N--CA 1.5 2.04 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 179.747 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -60.33 160.87 21.81 Favored 'Trans proline' 0 C--N 1.312 -1.379 0 C-N-CA 121.615 1.543 . . . . 0.0 110.957 179.634 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -55.01 -34.7 87.95 Favored 'Trans proline' 0 C--N 1.301 -1.963 0 C-N-CA 122.439 2.093 . . . . 0.0 111.905 -179.69 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.629 HG11 HD11 ' B' ' 5' ' ' ILE . 63.5 t -56.61 -48.22 80.91 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.728 0 O-C-N 120.954 -1.091 . . . . 0.0 110.441 -178.713 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 61.8 t -67.77 -46.53 82.29 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.861 0 C-N-CA 118.53 -1.268 . . . . 0.0 109.152 -178.93 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.12 -46.91 75.89 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.393 -0.817 . . . . 0.0 110.037 179.728 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 37.2 mtmt -61.39 -35.32 77.17 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.768 -1.207 . . . . 0.0 110.381 179.731 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.4 tm-20 -60.25 -39.85 88.23 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.118 -0.988 . . . . 0.0 109.826 -178.954 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 45.3 mt -59.84 -39.78 80.9 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.446 0 O-C-N 121.19 -0.944 . . . . 0.0 108.938 -179.659 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 81.6 t -62.35 -38.21 80.62 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 O-C-N 121.026 -1.046 . . . . 0.0 108.724 179.355 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.5 -30.53 69.77 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.428 -0.795 . . . . 0.0 109.364 179.755 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 66.6 m -80.51 -27.58 37.67 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.3 -0.875 . . . . 0.0 110.183 -179.574 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 48.0 t -82.58 102.37 11.37 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 120.94 -1.1 . . . . 0.0 109.152 -179.89 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -60.41 -29.64 69.1 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.509 -0.744 . . . . 0.0 110.193 179.956 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -70.01 -40.64 75.12 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.034 -1.041 . . . . 0.0 110.689 -178.392 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 91.1 m -87.53 -23.37 24.4 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.001 -1.062 . . . . 0.0 109.916 179.827 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -75.01 -67.99 0.59 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.32 -0.863 . . . . 0.0 110.24 -179.54 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 67.1 mt -82.68 98.25 8.96 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.19 -0.943 . . . . 0.0 109.917 -179.796 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.55 ' O ' ' N ' ' A' ' 48' ' ' GLU . 7.3 pttm -97.83 155.19 17.16 Favored 'General case' 0 N--CA 1.494 1.768 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 178.397 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -48.48 87.91 0.01 OUTLIER Glycine 0 N--CA 1.492 2.385 0 N-CA-C 110.129 -1.189 . . . . 0.0 110.129 -179.491 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.55 ' N ' ' O ' ' A' ' 46' ' ' LYS . 87.7 tt0 -162.64 -23.12 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.194 -1.18 . . . . 0.0 109.217 179.917 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -84.35 0.05 50.76 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.417 -0.802 . . . . 0.0 109.85 -179.771 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 76.6 mtp -60.92 138.04 58.18 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.062 -1.024 . . . . 0.0 109.616 179.926 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 75.9 m80 -117.52 125.2 50.45 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.485 -0.76 . . . . 0.0 109.399 179.645 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -91.26 95.67 2.1 Favored Glycine 0 N--CA 1.494 2.547 0 N-CA-C 108.934 -1.666 . . . . 0.0 108.934 179.235 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -76.6 151.49 36.24 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 120.991 -1.299 . . . . 0.0 109.111 -179.88 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.2 t 60.68 163.61 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.413 -0.804 . . . . 0.0 109.287 -179.147 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 38.2 t0 . . . . . 0 N--CA 1.496 1.856 0 CA-C-O 117.933 -1.032 . . . . 0.0 109.44 179.694 . . . . . . . . 0 0 . 1 . 032 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 73.6 m-85 . . . . . 0 N--CA 1.485 1.314 0 CA-C-O 121.26 0.552 . . . . 0.0 109.724 . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 23.3 mt -73.91 -42.48 60.58 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.256 -0.902 . . . . 0.0 111.075 -178.686 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -65.11 -49.18 70.98 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.009 -1.057 . . . . 0.0 111.153 -178.424 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.96 -48.21 82.47 Favored Glycine 0 N--CA 1.49 2.297 0 N-CA-C 110.244 -1.143 . . . . 0.0 110.244 -179.084 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.629 HD11 HG11 ' A' ' 31' ' ' VAL . 96.3 mt -59.83 -39.96 81.36 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.562 0 O-C-N 121.322 -1.105 . . . . 0.0 110.738 -179.453 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -51.99 -42.28 62.84 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 120.842 -1.161 . . . . 0.0 108.725 -178.803 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 47.2 mttm -70.42 -46.3 64.21 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.216 -0.927 . . . . 0.0 109.609 178.672 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.28 -34.69 78.56 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.518 -0.739 . . . . 0.0 109.605 -179.726 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 59.5 tt0 -58.52 -40.14 82.07 Favored 'General case' 0 C--N 1.3 -1.559 0 C-N-CA 119.416 -0.914 . . . . 0.0 108.843 -179.407 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 37.6 tp10 -62.05 -40.69 96.62 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 119.004 -1.079 . . . . 0.0 108.543 179.079 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -60.83 -39.91 90.79 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 179.528 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 12' ' ' HIS . . . . . 0.577 ' O ' ' N ' ' B' ' 16' ' ' HIS . 17.6 t60 -61.55 -46.18 90.99 Favored 'General case' 0 C--N 1.306 -1.306 0 C-N-CA 119.673 -0.811 . . . . 0.0 109.801 179.437 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -60.28 -43.52 96.16 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.326 -0.859 . . . . 0.0 110.356 -179.155 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 45.0 mtmt -60.46 -35.71 76.52 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.36 -0.838 . . . . 0.0 112.669 -178.63 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -134.66 -5.6 2.51 Favored 'General case' 0 N--CA 1.509 2.483 0 O-C-N 120.722 -1.236 . . . . 0.0 112.737 -177.032 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.577 ' N ' ' O ' ' B' ' 12' ' ' HIS . 89.0 m-70 55.2 41.23 31.66 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 120.593 -1.317 . . . . 0.0 107.519 -177.8 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 96.4 p -64.93 155.29 34.84 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.563 -0.711 . . . . 0.0 110.725 -178.248 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 -71.13 160.53 32.71 Favored 'General case' 0 N--CA 1.491 1.606 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 179.719 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 49.7 p-90 -57.68 -30.11 65.19 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.197 -0.94 . . . . 0.0 110.247 -179.811 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 82.8 mtm180 -63.06 -41.66 99.5 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.902 -1.124 . . . . 0.0 110.555 -179.797 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.0 -47.5 68.33 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.263 -0.898 . . . . 0.0 109.656 -179.449 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 78.7 mtm -61.62 -39.59 91.81 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.186 -0.947 . . . . 0.0 109.614 179.625 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.485 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -57.79 -45.76 85.57 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.287 -0.883 . . . . 0.0 109.159 179.916 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 23.2 t -70.07 -38.79 75.82 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.296 -0.877 . . . . 0.0 109.885 179.918 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -60.33 -41.01 92.64 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.165 -0.96 . . . . 0.0 110.576 -178.917 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -108.14 0.1 21.38 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.367 -0.833 . . . . 0.0 110.017 -179.926 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.485 ' N ' ' O ' ' B' ' 23' ' ' ALA . 18.6 m120 55.13 48.32 19.85 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.237 -0.914 . . . . 0.0 109.291 179.88 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 41.4 mt -112.21 152.47 44.45 Favored Pre-proline 0 N--CA 1.503 2.221 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 179.63 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -60.17 160.94 21.01 Favored 'Trans proline' 0 N--CA 1.49 1.303 0 C-N-CA 121.324 1.349 . . . . 0.0 110.949 179.448 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -55.6 -33.76 87.95 Favored 'Trans proline' 0 C--N 1.304 -1.786 0 C-N-CA 122.508 2.139 . . . . 0.0 112.169 -179.579 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.552 HG11 HD11 ' A' ' 5' ' ' ILE . 62.2 t -56.96 -48.52 81.46 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.762 0 O-C-N 120.821 -1.174 . . . . 0.0 110.211 -179.045 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 60.1 t -67.36 -47.14 82.03 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.874 0 C-N-CA 118.545 -1.262 . . . . 0.0 109.285 -178.776 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.26 -45.62 79.91 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.255 -0.903 . . . . 0.0 110.172 179.943 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 36.1 mtmt -61.77 -36.07 79.99 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.784 -1.198 . . . . 0.0 110.182 179.631 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 14.2 tm-20 -59.85 -39.93 86.83 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.011 -1.056 . . . . 0.0 110.188 -179.028 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 46.4 mt -59.94 -39.99 81.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.525 0 O-C-N 121.003 -1.061 . . . . 0.0 108.765 179.943 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 76.6 t -62.04 -37.93 79.57 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.201 -0.937 . . . . 0.0 108.855 178.943 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 38' ' ' ALA . . . . . 0.526 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -60.71 -31.83 71.1 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.539 -0.726 . . . . 0.0 109.702 179.694 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 66.1 m -79.58 -26.97 41.17 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.295 -0.878 . . . . 0.0 109.976 -179.437 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 49.7 t -82.73 102.58 11.63 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.754 -1.216 . . . . 0.0 109.413 179.844 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -60.84 -29.68 69.65 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.332 -0.855 . . . . 0.0 110.159 -179.858 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -69.54 -41.22 76.24 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.054 -1.029 . . . . 0.0 110.74 -178.669 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 86.7 m -87.26 -22.7 25.03 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.005 -1.06 . . . . 0.0 109.836 179.858 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 44' ' ' GLN . . . . . 0.526 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 7.2 tt0 -75.7 -68.8 0.53 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.405 -0.81 . . . . 0.0 109.94 -179.394 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 63.5 mt -82.15 97.38 8.18 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.228 -0.92 . . . . 0.0 110.013 -179.631 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 46' ' ' LYS . . . . . 0.548 ' O ' ' N ' ' B' ' 48' ' ' GLU . 8.8 pttm -97.14 156.29 16.46 Favored 'General case' 0 N--CA 1.495 1.819 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 178.49 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -48.86 88.1 0.01 OUTLIER Glycine 0 N--CA 1.494 2.519 0 N-CA-C 110.106 -1.198 . . . . 0.0 110.106 -179.67 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 48' ' ' GLU . . . . . 0.548 ' N ' ' O ' ' B' ' 46' ' ' LYS . 87.8 tt0 -162.8 -25.2 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.079 -1.248 . . . . 0.0 109.269 179.759 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -82.09 -0.6 45.35 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.447 -0.783 . . . . 0.0 110.152 -179.592 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 77.9 mtp -60.32 137.84 58.06 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.214 -0.929 . . . . 0.0 109.853 -179.886 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 73.8 m80 -117.42 125.45 50.98 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.516 -0.74 . . . . 0.0 109.593 179.41 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -91.45 96.12 2.14 Favored Glycine 0 N--CA 1.491 2.33 0 N-CA-C 108.778 -1.729 . . . . 0.0 108.778 179.406 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -77.25 152.01 34.85 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.0 -1.294 . . . . 0.0 108.818 179.965 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 3.4 t 60.26 162.74 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.282 -0.886 . . . . 0.0 109.227 -178.995 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 41.1 t0 . . . . . 0 N--CA 1.495 1.801 0 O-C-N 121.103 -0.998 . . . . 0.0 109.484 179.673 . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.498 ' O ' HD12 ' A' ' 5' ' ' ILE . 56.7 m-85 . . . . . 0 N--CA 1.49 1.56 0 CA-C-O 121.476 0.655 . . . . 0.0 109.405 . . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 21.5 mt -70.03 -39.05 76.01 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.258 -0.901 . . . . 0.0 111.657 -178.187 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -61.3 -50.33 73.41 Favored 'General case' 0 C--N 1.298 -1.653 0 O-C-N 120.886 -1.134 . . . . 0.0 111.595 -177.052 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.26 -44.33 66.38 Favored Glycine 0 N--CA 1.494 2.53 0 N-CA-C 110.038 -1.225 . . . . 0.0 110.038 -179.014 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.498 HD12 ' O ' ' A' ' 1' ' ' PHE . 88.7 mt -59.41 -39.18 78.45 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.642 0 O-C-N 121.889 -0.771 . . . . 0.0 110.189 -179.533 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 85.8 m-20 -56.55 -47.22 79.92 Favored 'General case' 0 C--N 1.3 -1.544 0 C-N-CA 118.315 -1.354 . . . . 0.0 108.478 -179.569 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -68.08 -45.44 73.76 Favored 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 119.375 -0.93 . . . . 0.0 109.113 179.061 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.83 -39.04 93.09 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.229 -0.919 . . . . 0.0 110.175 179.709 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -56.29 -40.62 74.59 Favored 'General case' 0 N--CA 1.485 1.275 0 O-C-N 121.491 -0.756 . . . . 0.0 109.753 -179.527 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 65.7 tt0 -60.12 -40.31 89.26 Favored 'General case' 0 N--CA 1.486 1.326 0 O-C-N 121.088 -1.007 . . . . 0.0 109.158 178.683 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 24.7 tp10 -60.23 -39.86 88.16 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 179.073 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.53 ' O ' ' N ' ' A' ' 16' ' ' HIS . 14.0 t60 -60.97 -48.17 83.07 Favored 'General case' 0 C--N 1.304 -1.397 0 C-N-CA 119.419 -0.912 . . . . 0.0 109.51 179.761 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -59.57 -41.39 90.1 Favored 'General case' 0 C--N 1.297 -1.712 0 O-C-N 121.076 -1.015 . . . . 0.0 110.374 -179.318 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt -60.88 -30.9 70.43 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.971 -1.081 . . . . 0.0 112.799 -179.012 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -140.28 -8.13 1.16 Allowed 'General case' 0 N--CA 1.513 2.721 0 O-C-N 120.66 -1.275 . . . . 0.0 112.869 -176.874 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.53 ' N ' ' O ' ' A' ' 12' ' ' HIS . 90.7 m-70 56.84 41.65 27.68 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 120.543 -1.348 . . . . 0.0 107.794 -177.025 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 88.5 p -61.36 159.06 13.19 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.427 -0.796 . . . . 0.0 110.686 -179.449 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 54.8 m-20 -74.21 160.1 31.62 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.213 -0.929 . . . . 0.0 108.96 179.694 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 37.1 p-90 -57.19 -30.34 64.45 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 120.505 -1.372 . . . . 0.0 110.063 -179.503 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -63.5 -39.8 95.39 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.027 -1.046 . . . . 0.0 110.888 179.977 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.52 -49.82 56.7 Favored 'General case' 0 N--CA 1.486 1.375 0 O-C-N 120.987 -1.071 . . . . 0.0 108.641 -179.853 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 78.3 mtm -59.11 -41.27 87.77 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.172 -0.955 . . . . 0.0 109.329 179.377 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.511 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -58.41 -48.75 79.67 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.949 -1.094 . . . . 0.0 108.737 179.123 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 8.6 t -68.7 -36.82 78.97 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.144 -0.973 . . . . 0.0 110.465 179.767 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -60.28 -40.13 89.33 Favored 'General case' 0 N--CA 1.492 1.648 0 C-N-CA 118.898 -1.121 . . . . 0.0 110.593 -178.895 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -111.9 2.75 17.15 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.366 -0.834 . . . . 0.0 109.921 -179.471 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.511 ' N ' ' O ' ' A' ' 23' ' ' ALA . 86.9 m-20 56.36 45.28 23.11 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.46 -0.775 . . . . 0.0 110.501 179.973 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 48.6 mt -109.28 152.74 42.79 Favored Pre-proline 0 N--CA 1.503 2.209 0 O-C-N 121.354 -0.842 . . . . 0.0 108.996 179.695 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_endo -61.59 145.9 97.33 Favored 'Trans proline' 0 N--CA 1.496 1.621 0 C-N-CA 122.116 1.877 . . . . 0.0 111.462 179.739 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_exo -39.7 -38.19 1.66 Allowed 'Trans proline' 0 C--N 1.314 -1.261 0 C-N-CA 122.086 1.858 . . . . 0.0 112.82 -179.944 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 90.6 t -54.51 -49.32 66.92 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.899 0 O-C-N 120.822 -1.174 . . . . 0.0 110.734 -178.199 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.492 HG13 HD11 ' A' ' 5' ' ' ILE . 57.3 t -65.95 -46.22 88.93 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.08 0 C-N-CA 118.01 -1.476 . . . . 0.0 109.629 -178.978 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.45 -45.03 77.2 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.351 -0.843 . . . . 0.0 110.124 -179.758 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 43.7 mtmt -61.45 -36.44 80.41 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 120.646 -1.284 . . . . 0.0 110.331 179.834 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.4 tm-20 -60.1 -39.6 86.71 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 120.842 -1.161 . . . . 0.0 109.907 -179.459 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 90.0 mt -59.9 -39.73 80.86 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.295 0 O-C-N 120.595 -1.316 . . . . 0.0 109.336 179.644 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 78.6 t -61.52 -40.36 86.18 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 O-C-N 121.1 -1.0 . . . . 0.0 108.884 179.078 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.52 ' O ' ' NE2' ' A' ' 44' ' ' GLN . . . -59.22 -35.87 74.4 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.988 -1.07 . . . . 0.0 109.742 -179.845 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 40.7 m -73.88 -27.08 60.88 Favored 'General case' 0 C--N 1.297 -1.701 0 C-N-CA 119.755 -0.778 . . . . 0.0 109.188 179.595 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 41.6 t -84.62 106.23 16.02 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.131 -0.981 . . . . 0.0 109.665 179.97 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 59.1 m-20 -62.1 -30.81 71.27 Favored 'General case' 0 N--CA 1.504 2.255 0 O-C-N 121.347 -0.846 . . . . 0.0 111.091 -179.403 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 65.6 mttp -69.88 -38.9 76.53 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 120.688 -1.257 . . . . 0.0 110.412 -178.942 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 88.5 m -89.27 -16.38 31.31 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.991 -1.068 . . . . 0.0 109.494 179.617 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.52 ' NE2' ' O ' ' A' ' 38' ' ' ALA . 26.1 tt0 -70.63 -65.51 0.72 Allowed 'General case' 0 N--CA 1.497 1.893 0 O-C-N 120.714 -1.241 . . . . 0.0 109.358 179.835 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 44.3 mt -83.75 98.21 9.56 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 178.98 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.7 tmtm? -92.54 136.0 33.59 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.521 -0.737 . . . . 0.0 109.748 -179.142 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.433 ' O ' ' O ' ' A' ' 48' ' ' GLU . . . 65.43 50.24 56.48 Favored Glycine 0 N--CA 1.494 2.538 0 N-CA-C 109.886 -1.286 . . . . 0.0 109.886 -179.833 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.433 ' O ' ' O ' ' A' ' 47' ' ' GLY . 79.4 mt-10 53.7 174.56 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.567 -0.961 . . . . 0.0 108.631 -179.924 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -111.55 -151.68 0.49 Allowed 'General case' 0 N--CA 1.498 1.935 0 O-C-N 120.979 -1.076 . . . . 0.0 109.828 179.92 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.423 ' O ' ' O ' ' B' ' 50' ' ' MET . 9.0 ttt -57.42 146.4 29.51 Favored 'General case' 0 N--CA 1.485 1.296 0 O-C-N 121.693 -0.629 . . . . 0.0 109.687 -179.855 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 91.0 m-70 -91.32 9.52 31.16 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.362 -0.836 . . . . 0.0 109.442 -179.903 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.407 ' H ' ' HG2' ' A' ' 50' ' ' MET . . . 75.87 -135.91 18.81 Favored Glycine 0 N--CA 1.493 2.438 0 N-CA-C 110.334 -1.106 . . . . 0.0 110.334 -179.851 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.472 ' C ' ' H ' ' A' ' 55' ' ' ASP . 99.0 mm-40 -81.94 -167.91 1.72 Allowed 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.308 -1.113 . . . . 0.0 109.318 -179.843 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 6.6 t 56.16 6.66 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.894 0 O-C-N 121.388 -0.82 . . . . 0.0 109.642 179.382 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.472 ' H ' ' C ' ' A' ' 53' ' ' GLN . 24.4 p-10 . . . . . 0 C--N 1.29 -2.021 0 O-C-N 121.465 -0.772 . . . . 0.0 110.021 179.935 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 1' ' ' PHE . . . . . 0.443 ' O ' HD12 ' B' ' 5' ' ' ILE . 53.2 m-85 . . . . . 0 N--CA 1.493 1.693 0 CA-C-O 121.765 0.793 . . . . 0.0 109.255 . . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 24.6 mt -70.05 -36.96 75.4 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.098 -1.001 . . . . 0.0 112.096 -178.274 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -64.29 -49.14 72.98 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.606 -1.309 . . . . 0.0 110.959 -178.098 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.09 -46.29 59.13 Favored Glycine 0 N--CA 1.493 2.441 0 O-C-N 120.544 -1.348 . . . . 0.0 109.927 -179.374 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.458 HD11 HG13 ' B' ' 32' ' ' VAL . 97.0 mt -58.12 -39.45 72.93 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.499 0 O-C-N 121.471 -1.017 . . . . 0.0 110.468 -178.995 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -56.55 -46.7 80.56 Favored 'General case' 0 C--N 1.301 -1.517 0 C-N-CA 118.87 -1.132 . . . . 0.0 108.139 179.861 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 34.5 ttmt -69.41 -42.08 75.52 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.144 -0.972 . . . . 0.0 109.778 178.584 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.14 -36.03 82.05 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.684 -0.635 . . . . 0.0 109.734 179.555 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 -58.59 -40.4 83.09 Favored 'General case' 0 C--N 1.3 -1.544 0 C-N-CA 119.661 -0.816 . . . . 0.0 109.683 -179.597 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 73.1 tt0 -61.22 -39.96 92.23 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.582 -1.324 . . . . 0.0 109.034 179.027 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 27.1 tp10 -60.13 -39.43 86.22 Favored 'General case' 0 N--CA 1.494 1.76 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 179.184 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 12' ' ' HIS . . . . . 0.54 ' O ' ' N ' ' B' ' 16' ' ' HIS . 12.7 t60 -61.64 -46.32 90.29 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.353 -0.842 . . . . 0.0 109.702 179.43 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.51 -42.93 97.38 Favored 'General case' 0 C--N 1.298 -1.632 0 O-C-N 120.763 -1.21 . . . . 0.0 110.48 -179.98 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -60.44 -30.81 69.88 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.144 -0.973 . . . . 0.0 112.528 -179.023 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -140.44 -7.43 1.15 Allowed 'General case' 0 N--CA 1.511 2.582 0 O-C-N 120.292 -1.505 . . . . 0.0 112.904 -176.878 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.54 ' N ' ' O ' ' B' ' 12' ' ' HIS . 89.8 m-70 55.12 41.7 31.4 Favored 'General case' 0 N--CA 1.495 1.824 0 N-CA-C 107.335 -1.357 . . . . 0.0 107.335 -177.344 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 97.8 p -62.0 159.44 14.3 Favored 'General case' 0 C--N 1.309 -1.157 0 O-C-N 121.32 -0.862 . . . . 0.0 110.416 -178.67 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 47.1 m-20 -74.11 160.5 31.14 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.119 -0.988 . . . . 0.0 109.128 179.724 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 35.7 p-90 -56.81 -30.5 63.79 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.943 -1.098 . . . . 0.0 110.242 -179.634 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -62.57 -40.33 96.5 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.723 -1.236 . . . . 0.0 110.433 179.867 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.51 -48.01 65.5 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 120.969 -1.082 . . . . 0.0 109.21 -179.845 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 78.7 mtm -61.37 -41.01 96.4 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.18 -0.95 . . . . 0.0 109.72 179.586 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -58.58 -47.21 85.05 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.387 -0.82 . . . . 0.0 109.086 179.363 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 16.1 t -70.67 -36.06 73.16 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.322 -0.861 . . . . 0.0 110.122 179.998 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 85.6 m-20 -60.6 -37.69 82.22 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.213 -0.93 . . . . 0.0 110.152 -178.362 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -114.82 3.5 14.65 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.548 -0.72 . . . . 0.0 110.036 -179.707 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.462 ' N ' ' O ' ' B' ' 23' ' ' ALA . 87.4 m-20 54.64 45.34 27.03 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.437 -0.789 . . . . 0.0 110.201 -179.623 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 69.2 mt -108.84 152.67 42.45 Favored Pre-proline 0 N--CA 1.506 2.346 0 O-C-N 121.396 -0.815 . . . . 0.0 109.12 179.535 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -62.09 147.73 94.53 Favored 'Trans proline' 0 N--CA 1.494 1.557 0 C-N-CA 121.778 1.652 . . . . 0.0 111.256 -179.946 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_exo -41.71 -38.02 4.18 Favored 'Trans proline' 0 C--N 1.312 -1.354 0 C-N-CA 122.57 2.18 . . . . 0.0 112.62 -179.847 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 84.3 t -54.73 -47.31 73.85 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.809 0 O-C-N 121.353 -0.842 . . . . 0.0 111.04 -178.045 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 32' ' ' VAL . . . . . 0.458 HG13 HD11 ' B' ' 5' ' ' ILE . 60.5 t -67.21 -48.27 78.94 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.077 0 C-N-CA 118.389 -1.325 . . . . 0.0 109.136 -179.439 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.4 -45.65 83.13 Favored 'General case' 0 N--CA 1.493 1.678 0 C-N-CA 120.24 -0.584 . . . . 0.0 110.314 179.867 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 44.0 mtmt -61.81 -35.04 77.03 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 120.854 -1.154 . . . . 0.0 110.031 -179.91 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 14.7 tm-20 -61.23 -38.0 85.06 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 120.915 -1.116 . . . . 0.0 110.571 -178.84 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 89.6 mt -61.35 -39.5 82.96 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.441 0 O-C-N 120.828 -1.17 . . . . 0.0 108.24 -179.408 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 72.5 t -61.34 -38.98 81.15 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.611 0 O-C-N 121.295 -0.878 . . . . 0.0 109.542 178.754 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 38' ' ' ALA . . . . . 0.5 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -59.52 -36.72 76.65 Favored 'General case' 0 C--N 1.297 -1.677 0 O-C-N 121.216 -0.928 . . . . 0.0 109.172 -179.988 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 39.4 m -72.1 -28.85 63.57 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.467 -0.77 . . . . 0.0 110.122 179.851 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 37.6 t -84.42 104.69 14.65 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.159 -0.963 . . . . 0.0 109.739 -179.734 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -60.34 -30.71 69.7 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.308 -0.87 . . . . 0.0 111.403 -179.68 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 65.0 mttp -68.56 -40.78 80.48 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.007 -1.058 . . . . 0.0 110.835 -178.883 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 90.0 m -88.19 -14.91 37.39 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.973 -1.08 . . . . 0.0 110.154 179.671 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 44' ' ' GLN . . . . . 0.5 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 25.5 tt0 -71.91 -67.3 0.54 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.936 -1.102 . . . . 0.0 108.913 -179.739 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 42.7 mt -82.35 99.85 9.62 Favored 'General case' 0 N--CA 1.492 1.641 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 178.661 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 2.2 tmtm? -94.55 137.2 33.97 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.246 -0.909 . . . . 0.0 109.919 -178.77 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 66.0 48.14 68.14 Favored Glycine 0 N--CA 1.489 2.208 0 N-CA-C 109.241 -1.544 . . . . 0.0 109.241 179.845 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 76.0 mt-10 55.44 179.18 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.287 -1.125 . . . . 0.0 108.751 -179.649 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -116.92 -154.69 0.56 Allowed 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.392 -0.817 . . . . 0.0 109.768 -179.447 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 50' ' ' MET . . . . . 0.423 ' O ' ' O ' ' A' ' 50' ' ' MET . 8.2 ttt -56.42 145.86 26.2 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.565 -0.709 . . . . 0.0 109.825 -179.272 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 94.5 m-70 -90.87 11.18 23.44 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.491 -0.756 . . . . 0.0 109.567 179.873 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 52' ' ' GLY . . . . . 0.408 ' H ' ' HG2' ' B' ' 50' ' ' MET . . . 75.14 -137.61 22.29 Favored Glycine 0 N--CA 1.49 2.246 0 C-N-CA 119.607 -1.282 . . . . 0.0 110.439 179.986 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 53' ' ' GLN . . . . . 0.414 ' C ' ' H ' ' B' ' 55' ' ' ASP . 99.0 mm-40 -81.92 -170.63 2.95 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.372 -1.075 . . . . 0.0 109.539 -179.492 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 5.6 t 58.42 7.87 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 120.91 -1.119 . . . . 0.0 109.826 179.524 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.414 ' H ' ' C ' ' B' ' 53' ' ' GLN . 27.0 p-10 . . . . . 0 C--N 1.291 -1.962 0 CA-C-O 117.886 -1.054 . . . . 0.0 109.8 179.292 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 . . . . . 0 N--CA 1.493 1.701 0 CA-C-O 121.57 0.7 . . . . 0.0 109.534 . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 25.2 mt -73.37 -22.44 60.27 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.551 -0.718 . . . . 0.0 111.829 -178.113 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 85.8 m-20 -63.35 -59.29 4.89 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.515 -1.366 . . . . 0.0 111.307 -178.553 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.43 -41.31 96.48 Favored Glycine 0 N--CA 1.492 2.427 0 C-N-CA 119.717 -1.23 . . . . 0.0 110.063 -179.375 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.463 ' O ' ' N ' ' A' ' 9' ' ' GLN . 96.4 mt -59.7 -40.42 82.32 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.525 0 O-C-N 121.327 -1.102 . . . . 0.0 110.506 -179.292 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 47.0 t0 -56.48 -44.77 80.96 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 120.935 -1.103 . . . . 0.0 108.582 -179.915 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -70.09 -43.19 71.6 Favored 'General case' 0 N--CA 1.49 1.55 0 C-N-CA 119.162 -1.015 . . . . 0.0 108.948 178.497 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.69 -35.01 79.53 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.035 -1.041 . . . . 0.0 109.564 179.582 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.463 ' N ' ' O ' ' A' ' 5' ' ' ILE . 54.2 tt0 -58.57 -40.0 81.85 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.213 -0.93 . . . . 0.0 109.397 -179.216 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -60.55 -40.33 91.17 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 119.198 -1.001 . . . . 0.0 108.812 179.181 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 21.2 tp10 -60.02 -40.34 88.95 Favored 'General case' 0 N--CA 1.486 1.364 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 179.449 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.536 ' O ' ' N ' ' A' ' 16' ' ' HIS . 17.2 t60 -60.24 -45.66 92.46 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 121.081 -1.012 . . . . 0.0 109.757 179.359 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -61.02 -42.37 98.34 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.272 -0.893 . . . . 0.0 110.332 -179.167 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -62.0 -30.07 70.7 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.39 -0.818 . . . . 0.0 112.644 -178.378 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -140.24 -7.06 1.19 Allowed 'General case' 0 N--CA 1.508 2.444 0 O-C-N 120.651 -1.281 . . . . 0.0 112.475 -177.028 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.536 ' N ' ' O ' ' A' ' 12' ' ' HIS . 84.1 m-70 54.54 39.8 31.39 Favored 'General case' 0 N--CA 1.493 1.714 0 N-CA-C 107.505 -1.295 . . . . 0.0 107.505 -177.217 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 86.0 p -65.24 157.86 27.78 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.462 -0.774 . . . . 0.0 110.648 -178.538 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -71.93 160.03 33.24 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.582 -0.699 . . . . 0.0 109.482 179.802 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 50.9 p-90 -58.87 -29.57 67.09 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.281 -0.887 . . . . 0.0 110.017 -179.647 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 61.2 mtp180 -62.73 -39.86 95.39 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.03 -1.043 . . . . 0.0 109.847 179.559 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.82 -49.41 52.86 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.128 -0.982 . . . . 0.0 109.254 179.932 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 77.7 mtm -61.35 -39.89 92.26 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.227 -0.921 . . . . 0.0 109.573 179.785 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.92 -49.26 77.37 Favored 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 119.347 -0.941 . . . . 0.0 109.443 179.872 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 16.5 m -70.73 -34.83 72.3 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.317 -0.864 . . . . 0.0 109.918 179.952 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 56.9 t0 -60.34 -44.76 95.23 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.178 -0.951 . . . . 0.0 110.831 -178.965 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -105.98 0.43 25.71 Favored 'General case' 0 N--CA 1.503 2.203 0 O-C-N 121.17 -0.956 . . . . 0.0 109.623 179.877 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 51.8 t30 59.75 49.31 8.24 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.433 -0.792 . . . . 0.0 109.958 179.588 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 51.9 mt -113.61 152.36 45.36 Favored Pre-proline 0 N--CA 1.5 2.029 0 O-C-N 121.145 -0.972 . . . . 0.0 108.688 179.755 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_endo -60.81 163.28 16.37 Favored 'Trans proline' 0 N--CA 1.492 1.406 0 C-N-CA 121.752 1.635 . . . . 0.0 110.954 179.245 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -56.5 -37.11 97.97 Favored 'Trans proline' 0 C--N 1.302 -1.881 0 C-N-CA 122.45 2.1 . . . . 0.0 112.909 -179.464 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 91.2 t -57.59 -45.65 86.31 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.037 -1.039 . . . . 0.0 110.232 -178.839 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 44.9 t -68.36 -48.57 72.41 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.782 0 C-N-CA 118.492 -1.283 . . . . 0.0 109.018 -179.48 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.68 -47.98 73.62 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.336 -0.853 . . . . 0.0 110.319 179.964 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -60.99 -34.17 74.37 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.111 -0.993 . . . . 0.0 110.141 -179.879 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.441 ' CG ' HG13 ' B' ' 31' ' ' VAL . 14.9 tm-20 -62.13 -38.34 88.58 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 120.861 -1.15 . . . . 0.0 110.065 -179.766 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 83.3 mt -59.64 -40.11 81.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 120.9 -1.125 . . . . 0.0 108.803 -179.683 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 88.9 t -62.88 -39.89 86.73 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.082 -1.011 . . . . 0.0 108.645 179.598 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.23 -31.07 69.83 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.564 -0.71 . . . . 0.0 109.279 179.573 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.1 m -76.87 -30.08 56.09 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 121.36 -0.837 . . . . 0.0 109.325 -179.814 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 46.3 t -81.9 101.95 10.56 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.288 -0.883 . . . . 0.0 109.242 179.968 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -60.08 -29.79 68.8 Favored 'General case' 0 C--N 1.297 -1.683 0 O-C-N 121.465 -0.772 . . . . 0.0 109.879 179.644 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -70.56 -43.87 68.6 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.03 -1.044 . . . . 0.0 111.204 -179.215 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 90.8 m -82.59 -22.97 34.62 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 120.722 -1.236 . . . . 0.0 109.71 -179.889 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -77.3 -75.74 0.2 Allowed 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.241 -0.912 . . . . 0.0 108.835 -179.746 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 31.9 mt -81.97 96.77 7.81 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.965 -1.084 . . . . 0.0 109.015 179.539 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.4 mtpm? -90.46 -9.26 48.05 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.376 -0.828 . . . . 0.0 109.024 179.389 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -105.75 141.2 15.36 Favored Glycine 0 N--CA 1.501 3.002 0 N-CA-C 109.619 -1.393 . . . . 0.0 109.619 179.941 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.422 ' CD ' ' N ' ' A' ' 48' ' ' GLU . 41.1 mp0 -86.16 -68.56 0.73 Allowed 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.127 -1.219 . . . . 0.0 109.361 179.817 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.409 ' HB1' ' H ' ' B' ' 50' ' ' MET . . . -178.82 154.34 0.72 Allowed 'General case' 0 N--CA 1.492 1.646 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 -179.826 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.529 ' O ' ' N ' ' B' ' 50' ' ' MET . 63.4 mtt -151.13 -167.3 2.77 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.09 -1.006 . . . . 0.0 109.184 179.637 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -151.37 165.29 34.55 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.081 -1.012 . . . . 0.0 109.338 179.957 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -77.54 -142.68 1.72 Allowed Glycine 0 N--CA 1.488 2.122 0 N-CA-C 109.708 -1.357 . . . . 0.0 109.708 -179.746 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.503 ' C ' ' H ' ' A' ' 55' ' ' ASP . 48.6 tp60 -75.5 48.23 0.43 Allowed 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.256 -1.143 . . . . 0.0 109.29 -179.829 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.6 t 58.53 1.96 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.428 -0.795 . . . . 0.0 109.72 -179.95 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.503 ' H ' ' C ' ' A' ' 53' ' ' GLN . 39.4 t0 . . . . . 0 C--N 1.293 -1.856 0 CA-C-O 118.007 -0.997 . . . . 0.0 109.258 179.803 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 . . . . . 0 N--CA 1.493 1.698 0 CA-C-O 121.431 0.634 . . . . 0.0 109.771 . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 27.1 mt -73.61 -20.87 60.48 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.536 -0.728 . . . . 0.0 111.943 -178.105 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -64.92 -59.0 4.67 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 120.349 -1.469 . . . . 0.0 111.01 -178.292 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.52 -40.51 96.18 Favored Glycine 0 N--CA 1.495 2.567 0 C-N-CA 119.688 -1.244 . . . . 0.0 110.236 -179.483 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.453 ' O ' ' N ' ' B' ' 9' ' ' GLN . 96.5 mt -60.33 -40.7 84.71 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.18 -1.188 . . . . 0.0 110.497 -179.241 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -56.3 -45.05 80.39 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 120.98 -1.075 . . . . 0.0 108.658 179.99 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -69.95 -42.9 72.6 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.025 -1.047 . . . . 0.0 108.864 178.805 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.3 -35.63 80.88 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.4 -0.812 . . . . 0.0 109.765 179.695 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 9' ' ' GLN . . . . . 0.453 ' N ' ' O ' ' B' ' 5' ' ' ILE . 57.7 tt0 -57.58 -40.5 79.15 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 119.588 -0.845 . . . . 0.0 109.072 -179.391 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -60.28 -40.38 90.2 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 119.054 -1.058 . . . . 0.0 108.71 179.265 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 20.9 tp10 -59.87 -40.41 88.56 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 119.423 -0.911 . . . . 0.0 108.566 179.582 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 12' ' ' HIS . . . . . 0.546 ' O ' ' N ' ' B' ' 16' ' ' HIS . 19.0 t60 -60.37 -45.16 94.51 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.152 -0.968 . . . . 0.0 109.877 179.453 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -60.83 -42.34 97.54 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.394 -0.816 . . . . 0.0 110.327 -179.376 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 57.1 mtpt -62.79 -30.09 71.2 Favored 'General case' 0 C--N 1.298 -1.672 0 N-CA-C 112.863 0.69 . . . . 0.0 112.863 -178.118 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -139.91 -6.06 1.29 Allowed 'General case' 0 N--CA 1.506 2.372 0 O-C-N 120.603 -1.311 . . . . 0.0 112.293 -177.05 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.546 ' N ' ' O ' ' B' ' 12' ' ' HIS . 82.7 m-70 53.17 39.93 30.44 Favored 'General case' 0 N--CA 1.493 1.708 0 N-CA-C 107.317 -1.364 . . . . 0.0 107.317 -177.34 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 97.0 p -65.23 158.41 26.26 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.424 -0.797 . . . . 0.0 110.712 -178.707 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -72.64 160.46 32.2 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.337 -0.852 . . . . 0.0 109.425 179.777 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 52.3 p-90 -58.69 -30.07 67.12 Favored 'General case' 0 C--N 1.303 -1.415 0 C-N-CA 119.55 -0.86 . . . . 0.0 109.952 -179.794 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 60.3 mtp180 -62.53 -40.01 95.39 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.016 -1.053 . . . . 0.0 109.756 179.917 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.27 -49.5 55.51 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.24 -0.912 . . . . 0.0 109.277 179.691 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 77.8 mtm -61.72 -39.79 92.78 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.313 -0.867 . . . . 0.0 109.667 179.615 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.93 -49.22 77.5 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 119.233 -0.987 . . . . 0.0 109.137 -179.914 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 15.6 m -70.81 -34.44 71.73 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.253 -0.905 . . . . 0.0 110.113 179.933 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 55.2 t0 -60.32 -46.06 91.23 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.175 -0.953 . . . . 0.0 110.499 -178.988 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -104.96 0.7 28.03 Favored 'General case' 0 N--CA 1.502 2.17 0 O-C-N 121.276 -0.89 . . . . 0.0 110.055 179.961 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 50.7 t30 59.5 49.92 8.05 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.341 -0.849 . . . . 0.0 109.848 179.513 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 53.9 mt -114.12 151.99 45.43 Favored Pre-proline 0 N--CA 1.502 2.166 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 179.711 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 27.2 Cg_endo -60.96 163.24 16.84 Favored 'Trans proline' 0 N--CA 1.49 1.301 0 C-N-CA 121.795 1.663 . . . . 0.0 110.858 179.295 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -56.37 -37.16 97.51 Favored 'Trans proline' 0 C--N 1.3 -2.009 0 C-N-CA 122.485 2.123 . . . . 0.0 112.489 -179.251 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.441 HG13 ' CG ' ' A' ' 35' ' ' GLU . 95.9 t -57.78 -45.45 87.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 120.913 -1.117 . . . . 0.0 110.369 -178.7 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 45.1 t -68.65 -47.58 76.02 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.71 0 C-N-CA 118.264 -1.374 . . . . 0.0 109.1 -179.242 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.95 -47.33 71.96 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.403 -0.811 . . . . 0.0 110.198 179.739 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -60.85 -34.85 75.22 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.801 -1.187 . . . . 0.0 110.32 179.847 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.1 tm-20 -61.13 -38.91 88.09 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 120.997 -1.064 . . . . 0.0 110.083 -179.978 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 84.8 mt -59.36 -40.36 81.32 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 120.985 -1.072 . . . . 0.0 109.205 -179.859 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 86.6 t -62.7 -39.72 85.8 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.478 0 C-N-CA 119.21 -0.996 . . . . 0.0 108.584 179.64 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 38' ' ' ALA . . . . . 0.524 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -60.37 -30.72 69.75 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.528 -0.732 . . . . 0.0 109.193 179.511 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 17.0 m -77.3 -29.79 53.84 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.401 -0.812 . . . . 0.0 109.169 -179.607 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 44.3 t -82.56 102.25 11.28 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.306 -0.871 . . . . 0.0 109.43 -179.939 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -60.83 -28.6 68.93 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.496 -0.753 . . . . 0.0 109.822 -179.857 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -71.79 -42.7 66.8 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.177 -0.952 . . . . 0.0 110.875 -178.837 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 87.1 m -83.09 -23.44 33.08 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 120.742 -1.224 . . . . 0.0 109.645 179.684 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 44' ' ' GLN . . . . . 0.524 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 6.8 tt0 -77.05 -75.05 0.22 Allowed 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.415 -0.803 . . . . 0.0 109.057 -179.686 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 32.8 mt -82.84 95.93 8.07 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.03 -1.044 . . . . 0.0 109.07 179.695 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 9.1 mtpm? -89.88 -8.71 51.28 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.413 -0.804 . . . . 0.0 109.23 179.787 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -106.85 140.06 15.12 Favored Glycine 0 N--CA 1.499 2.89 0 N-CA-C 109.839 -1.305 . . . . 0.0 109.839 179.729 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 48' ' ' GLU . . . . . 0.458 ' OE1' ' N ' ' B' ' 48' ' ' GLU . 41.4 mp0 -84.03 -69.54 0.63 Allowed 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.124 -1.221 . . . . 0.0 109.195 179.496 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -178.7 154.97 0.78 Allowed 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.318 -0.864 . . . . 0.0 109.072 179.806 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 50' ' ' MET . . . . . 0.529 ' N ' ' O ' ' A' ' 50' ' ' MET . 63.0 mtt -150.88 -167.29 2.77 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 120.927 -1.108 . . . . 0.0 109.187 179.696 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -150.59 164.61 35.61 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.042 -1.036 . . . . 0.0 109.553 179.725 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -76.79 -142.46 1.39 Allowed Glycine 0 N--CA 1.489 2.184 0 N-CA-C 109.677 -1.369 . . . . 0.0 109.677 -179.465 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 53' ' ' GLN . . . . . 0.494 ' C ' ' H ' ' B' ' 55' ' ' ASP . 48.6 tp60 -75.79 48.05 0.45 Allowed 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.481 -1.011 . . . . 0.0 109.25 -179.995 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 2.7 t 58.41 2.64 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 CA-C-O 121.807 0.813 . . . . 0.0 109.689 -179.966 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.494 ' H ' ' C ' ' B' ' 53' ' ' GLN . 38.7 t0 . . . . . 0 C--N 1.294 -1.829 0 CA-C-O 117.853 -1.07 . . . . 0.0 109.156 179.79 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.573 ' O ' HD12 ' A' ' 5' ' ' ILE . 76.9 m-85 . . . . . 0 N--CA 1.493 1.707 0 CA-C-O 121.627 0.727 . . . . 0.0 109.679 . . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 15.2 mt -72.92 -27.22 61.74 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 121.341 -0.85 . . . . 0.0 111.081 -178.258 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.516 ' N ' ' OD1' ' A' ' 3' ' ' ASP . 18.3 p-10 -69.44 -61.79 1.64 Allowed 'General case' 0 N--CA 1.496 1.847 0 O-C-N 120.805 -1.185 . . . . 0.0 111.542 -178.302 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.421 ' H ' ' CG ' ' A' ' 3' ' ' ASP . . . -60.13 -40.77 97.63 Favored Glycine 0 N--CA 1.495 2.591 0 C-N-CA 119.886 -1.149 . . . . 0.0 110.446 -178.773 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.573 HD12 ' O ' ' A' ' 1' ' ' PHE . 96.4 mt -59.75 -39.36 79.55 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 O-C-N 121.199 -1.177 . . . . 0.0 109.729 -179.976 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 51.7 t0 -54.15 -47.16 72.25 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 120.76 -1.212 . . . . 0.0 108.463 -179.345 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 64.8 mttm -68.59 -43.62 76.09 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.199 -0.938 . . . . 0.0 109.761 178.972 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.94 -37.38 85.88 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.266 -0.896 . . . . 0.0 109.754 -179.892 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -57.8 -40.14 79.19 Favored 'General case' 0 C--N 1.305 -1.353 0 C-N-CA 119.365 -0.934 . . . . 0.0 109.263 -179.137 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -61.92 -42.22 98.84 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.176 -0.952 . . . . 0.0 109.011 178.521 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 25.3 tp10 -59.65 -40.86 89.1 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 179.44 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.555 ' O ' ' N ' ' A' ' 16' ' ' HIS . 13.0 t60 -60.44 -47.98 83.77 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.268 -0.895 . . . . 0.0 109.489 179.455 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -59.99 -40.41 89.06 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.979 -1.076 . . . . 0.0 110.08 -179.913 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.3 mtpp -62.06 -37.27 84.36 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.193 -0.942 . . . . 0.0 112.628 -178.98 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -135.2 -3.12 2.47 Favored 'General case' 0 N--CA 1.51 2.533 0 O-C-N 120.883 -1.136 . . . . 0.0 112.61 -177.069 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.555 ' N ' ' O ' ' A' ' 12' ' ' HIS . 89.6 m-70 53.78 40.68 31.79 Favored 'General case' 0 N--CA 1.495 1.824 0 N-CA-C 107.331 -1.359 . . . . 0.0 107.331 -177.649 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 78.3 p -62.51 158.0 18.98 Favored 'General case' 0 C--N 1.302 -1.478 0 CA-C-O 121.357 0.598 . . . . 0.0 110.509 -178.888 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 28.0 m120 -73.43 157.55 36.65 Favored 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 179.816 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 31.2 p-90 -57.6 -29.72 64.73 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.158 -0.964 . . . . 0.0 110.102 -179.33 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -62.91 -39.68 95.28 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.128 -0.983 . . . . 0.0 109.975 179.557 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.19 -49.7 54.21 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.356 -0.84 . . . . 0.0 109.6 -179.592 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 77.6 mtm -60.16 -39.49 86.61 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.224 -0.922 . . . . 0.0 109.379 179.062 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -58.38 -49.39 77.4 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.29 -0.881 . . . . 0.0 109.132 -179.923 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 21.6 t -70.33 -34.29 72.5 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.473 -0.767 . . . . 0.0 109.71 179.291 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 57.8 t0 -60.22 -42.41 95.1 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.223 -0.923 . . . . 0.0 110.466 -179.211 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -111.19 4.08 18.96 Favored 'General case' 0 N--CA 1.502 2.152 0 O-C-N 121.431 -0.793 . . . . 0.0 109.925 -179.867 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.433 ' N ' ' O ' ' A' ' 23' ' ' ALA . 13.2 m120 56.89 43.29 25.07 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.238 -0.913 . . . . 0.0 110.105 -179.95 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 86.8 mt -108.19 152.49 41.88 Favored Pre-proline 0 N--CA 1.5 2.025 0 O-C-N 121.319 -0.863 . . . . 0.0 109.105 -179.936 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_endo -62.48 150.35 87.77 Favored 'Trans proline' 0 N--CA 1.493 1.462 0 C-N-CA 121.858 1.706 . . . . 0.0 111.532 -179.813 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -44.32 -37.16 10.06 Favored 'Trans proline' 0 C--N 1.309 -1.52 0 C-N-CA 121.494 1.463 . . . . 0.0 111.647 -179.92 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 49.9 t -52.78 -51.39 36.68 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.638 0 C-N-CA 119.657 -0.817 . . . . 0.0 110.739 -178.279 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.413 HG13 HD11 ' A' ' 5' ' ' ILE . 61.6 t -64.86 -46.81 90.76 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.958 0 C-N-CA 118.324 -1.35 . . . . 0.0 109.942 -178.452 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.97 -45.85 76.44 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.142 -0.974 . . . . 0.0 110.293 179.981 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -60.8 -36.06 78.06 Favored 'General case' 0 C--N 1.302 -1.496 0 C-N-CA 119.273 -0.971 . . . . 0.0 110.205 -179.334 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -61.35 -38.57 87.42 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 120.991 -1.068 . . . . 0.0 109.835 -179.619 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 81.7 mt -60.92 -39.72 82.98 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.451 0 O-C-N 120.825 -1.172 . . . . 0.0 109.845 -179.893 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 85.9 t -62.35 -39.93 86.02 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.603 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 179.888 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.05 -30.25 69.07 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.475 -0.765 . . . . 0.0 109.379 179.841 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 63.9 m -77.17 -28.93 54.25 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.356 -0.84 . . . . 0.0 109.212 -179.762 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 42.7 t -81.76 104.08 11.9 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.53 -0.731 . . . . 0.0 109.403 179.769 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -62.0 -28.98 69.95 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.223 -0.923 . . . . 0.0 110.311 -179.842 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 81.2 mttt -70.09 -40.68 74.82 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.157 -0.964 . . . . 0.0 110.671 -177.987 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 66.2 m -83.26 -28.05 29.44 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.046 -1.034 . . . . 0.0 109.697 179.977 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.472 ' NE2' ' OE1' ' B' ' 44' ' ' GLN . 57.2 tt0 -75.98 -69.57 0.49 Allowed 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.197 -0.94 . . . . 0.0 109.086 179.986 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 58.0 mt -81.86 110.79 17.47 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 179.239 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 60.2 tttm -88.18 -9.69 52.27 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.099 -1.001 . . . . 0.0 109.265 -179.089 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 99.11 -3.45 58.37 Favored Glycine 0 N--CA 1.494 2.552 0 N-CA-C 109.294 -1.523 . . . . 0.0 109.294 179.817 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -61.65 -37.6 84.61 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.298 -1.119 . . . . 0.0 108.626 179.209 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.29 -16.07 63.81 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.74 -0.6 . . . . 0.0 110.33 -178.941 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.406 ' O ' ' O ' ' A' ' 51' ' ' HIS . 54.3 ttm -86.2 131.24 34.28 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.009 -1.057 . . . . 0.0 109.788 179.99 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.496 ' CE1' ' H ' ' A' ' 53' ' ' GLN . 58.6 t-80 56.89 164.63 0.03 OUTLIER 'General case' 0 C--N 1.298 -1.644 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 -179.508 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 166.12 53.26 0.03 OUTLIER Glycine 0 N--CA 1.484 1.861 0 N-CA-C 108.919 -1.672 . . . . 0.0 108.919 -179.027 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.496 ' H ' ' CE1' ' A' ' 51' ' ' HIS . 74.4 mt-30 59.46 31.11 20.82 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.791 -0.829 . . . . 0.0 109.673 -179.663 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.545 HG12 ' H ' ' A' ' 55' ' ' ASP . 1.6 t 50.51 -149.69 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 120.94 -1.1 . . . . 0.0 108.731 179.733 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.545 ' H ' HG12 ' A' ' 54' ' ' VAL . 81.7 m-20 . . . . . 0 N--CA 1.488 1.462 0 CA-C-O 117.935 -1.031 . . . . 0.0 109.16 179.777 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 1' ' ' PHE . . . . . 0.614 ' O ' HD12 ' B' ' 5' ' ' ILE . 77.0 m-85 . . . . . 0 N--CA 1.491 1.606 0 CA-C-O 121.558 0.694 . . . . 0.0 109.71 . . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 16.6 mt -73.04 -27.97 62.06 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.52 -0.737 . . . . 0.0 111.747 -178.106 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 3' ' ' ASP . . . . . 0.515 ' N ' ' OD1' ' B' ' 3' ' ' ASP . 17.2 p-10 -70.0 -61.26 1.85 Allowed 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.572 -1.33 . . . . 0.0 111.016 -178.395 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 4' ' ' GLY . . . . . 0.43 ' H ' ' CG ' ' B' ' 3' ' ' ASP . . . -58.5 -43.08 96.15 Favored Glycine 0 N--CA 1.493 2.474 0 N-CA-C 110.104 -1.198 . . . . 0.0 110.104 -178.992 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.614 HD12 ' O ' ' B' ' 1' ' ' PHE . 97.8 mt -58.81 -38.87 75.17 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.562 0 O-C-N 121.441 -1.035 . . . . 0.0 110.386 -179.935 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 49.1 t0 -54.42 -47.16 73.13 Favored 'General case' 0 C--N 1.304 -1.411 0 C-N-CA 118.412 -1.315 . . . . 0.0 108.54 -179.461 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -68.11 -44.1 76.93 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 119.414 -0.914 . . . . 0.0 109.602 179.258 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.11 -36.48 83.26 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.353 -0.842 . . . . 0.0 109.797 -179.835 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -58.82 -40.34 83.84 Favored 'General case' 0 C--N 1.305 -1.328 0 O-C-N 121.235 -0.916 . . . . 0.0 109.033 -179.382 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -61.25 -41.76 97.46 Favored 'General case' 0 C--N 1.302 -1.457 0 C-N-CA 118.984 -1.086 . . . . 0.0 108.812 178.665 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 25.0 tp10 -60.4 -40.07 89.64 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.244 -0.91 . . . . 0.0 109.193 179.705 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 12' ' ' HIS . . . . . 0.544 ' O ' ' N ' ' B' ' 16' ' ' HIS . 13.0 t60 -61.03 -47.29 87.09 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 119.29 -0.964 . . . . 0.0 109.066 179.472 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -59.8 -40.84 89.69 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.1 -1.0 . . . . 0.0 109.971 -179.86 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp -62.33 -36.41 82.1 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.316 -0.865 . . . . 0.0 112.532 -178.609 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -135.78 -2.67 2.36 Favored 'General case' 0 N--CA 1.509 2.499 0 O-C-N 120.678 -1.264 . . . . 0.0 112.732 -177.547 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.544 ' N ' ' O ' ' B' ' 12' ' ' HIS . 90.1 m-70 53.98 40.7 31.87 Favored 'General case' 0 N--CA 1.497 1.905 0 N-CA-C 107.209 -1.404 . . . . 0.0 107.209 -177.048 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 83.1 p -63.57 158.78 20.26 Favored 'General case' 0 C--N 1.303 -1.417 0 CA-C-O 121.504 0.669 . . . . 0.0 110.69 -178.303 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 27.2 m120 -73.61 157.39 36.73 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.748 -0.595 . . . . 0.0 109.65 -179.819 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 27.9 p-90 -57.72 -30.22 65.35 Favored 'General case' 0 C--N 1.301 -1.508 0 C-N-CA 119.485 -0.886 . . . . 0.0 109.814 -179.601 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -62.85 -39.57 94.78 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.236 -0.915 . . . . 0.0 109.677 179.439 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.68 -50.36 51.64 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.106 -0.996 . . . . 0.0 109.762 -179.908 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 77.3 mtm -60.05 -38.93 84.26 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.151 -0.968 . . . . 0.0 109.559 178.948 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.405 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -59.64 -49.16 78.82 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.304 -0.872 . . . . 0.0 108.844 -179.57 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 12.7 t -70.47 -33.39 71.21 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.728 -0.607 . . . . 0.0 109.834 179.613 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 59.9 t0 -60.66 -44.05 96.9 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.414 -0.804 . . . . 0.0 110.371 -179.116 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -109.62 3.85 21.49 Favored 'General case' 0 N--CA 1.504 2.227 0 O-C-N 121.615 -0.678 . . . . 0.0 110.184 -179.462 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.405 ' N ' ' O ' ' B' ' 23' ' ' ALA . 13.7 m120 56.17 45.45 23.29 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.405 -0.809 . . . . 0.0 109.682 -179.658 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 91.2 mt -110.24 150.88 42.15 Favored Pre-proline 0 N--CA 1.498 1.966 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 179.545 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -60.54 152.28 69.37 Favored 'Trans proline' 0 N--CA 1.489 1.222 0 C-N-CA 121.728 1.619 . . . . 0.0 111.247 -179.844 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_exo -45.44 -37.97 15.27 Favored 'Trans proline' 0 C--N 1.313 -1.327 0 C-N-CA 121.821 1.681 . . . . 0.0 111.851 179.413 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 60.0 t -52.24 -49.52 40.74 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.813 0 O-C-N 121.446 -0.784 . . . . 0.0 110.657 -178.043 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 32' ' ' VAL . . . . . 0.48 HG13 HD11 ' B' ' 5' ' ' ILE . 58.6 t -67.32 -47.36 81.43 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.922 0 C-N-CA 118.221 -1.392 . . . . 0.0 109.486 -178.34 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.82 -45.46 82.21 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.397 -0.814 . . . . 0.0 110.046 179.826 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 52.1 mtpt -61.06 -36.65 80.18 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.026 -1.046 . . . . 0.0 109.991 -179.528 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.8 tm-20 -60.69 -39.11 87.28 Favored 'General case' 0 C--N 1.303 -1.433 0 C-N-CA 118.994 -1.082 . . . . 0.0 110.032 -179.705 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 81.1 mt -60.68 -39.7 82.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 120.608 -1.308 . . . . 0.0 109.592 179.863 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 83.0 t -62.65 -39.54 85.07 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.55 0 O-C-N 121.261 -0.899 . . . . 0.0 108.676 -179.969 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 38' ' ' ALA . . . . . 0.44 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -60.29 -30.1 69.25 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.383 -0.823 . . . . 0.0 109.424 179.396 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 71.1 m -77.88 -28.27 49.91 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.565 -0.709 . . . . 0.0 109.589 -179.598 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 43.2 t -82.4 103.22 11.8 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.322 -0.861 . . . . 0.0 109.278 179.664 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -60.98 -28.29 68.91 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.318 -0.863 . . . . 0.0 110.054 -179.899 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 82.8 mttt -71.38 -40.34 70.63 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.167 -0.958 . . . . 0.0 110.678 -178.008 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 63.8 m -83.33 -29.03 28.62 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 120.797 -1.189 . . . . 0.0 109.275 -179.786 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 44' ' ' GLN . . . . . 0.472 ' OE1' ' NE2' ' A' ' 44' ' ' GLN . 6.9 tt0 -75.0 -70.31 0.42 Allowed 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.179 -0.95 . . . . 0.0 109.51 179.821 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 53.6 mt -81.32 109.47 15.86 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 179.43 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 59.5 tttm -87.59 -8.15 56.63 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.156 -0.965 . . . . 0.0 109.887 -179.2 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.46 -5.53 60.62 Favored Glycine 0 N--CA 1.497 2.736 0 N-CA-C 109.431 -1.468 . . . . 0.0 109.431 179.956 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -60.98 -33.9 73.95 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.066 -1.255 . . . . 0.0 108.88 179.555 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.15 -16.1 61.98 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.59 -0.694 . . . . 0.0 110.089 -179.347 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 50' ' ' MET . . . . . 0.452 ' O ' ' O ' ' B' ' 51' ' ' HIS . 56.7 ttm -85.19 132.73 34.24 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.109 -0.995 . . . . 0.0 109.728 -179.87 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 51' ' ' HIS . . . . . 0.46 ' CE1' ' H ' ' B' ' 53' ' ' GLN . 58.3 t-80 55.64 163.83 0.02 OUTLIER 'General case' 0 C--N 1.303 -1.425 0 CA-C-O 121.526 0.679 . . . . 0.0 109.604 -179.422 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 166.56 54.94 0.03 OUTLIER Glycine 0 N--CA 1.489 2.2 0 N-CA-C 109.078 -1.609 . . . . 0.0 109.078 -179.549 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 53' ' ' GLN . . . . . 0.46 ' H ' ' CE1' ' B' ' 51' ' ' HIS . 73.2 mt-30 57.82 31.25 20.24 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.682 -0.893 . . . . 0.0 109.824 -179.792 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.482 HG12 ' H ' ' B' ' 55' ' ' ASP . 1.5 t 49.45 -149.21 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.23 -0.919 . . . . 0.0 108.691 179.704 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.482 ' H ' HG12 ' B' ' 54' ' ' VAL . 82.2 m-20 . . . . . 0 C--N 1.301 -1.51 0 CA-C-O 117.839 -1.076 . . . . 0.0 109.264 179.608 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 036 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.415 ' O ' HD12 ' A' ' 5' ' ' ILE . 43.6 m-85 . . . . . 0 N--CA 1.494 1.745 0 CA-C-O 121.562 0.696 . . . . 0.0 109.926 . . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 41.7 mt -69.37 -30.24 68.2 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.366 -0.834 . . . . 0.0 111.221 -178.459 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 57.1 t0 -61.67 -51.14 69.67 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.723 -1.236 . . . . 0.0 110.729 -179.257 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.97 -44.47 45.98 Favored Glycine 0 N--CA 1.492 2.426 0 N-CA-C 109.78 -1.328 . . . . 0.0 109.78 -179.562 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.476 ' O ' ' N ' ' A' ' 9' ' ' GLN . 84.7 mt -58.07 -39.68 73.66 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.497 0 O-C-N 121.516 -0.99 . . . . 0.0 109.557 -179.801 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -56.42 -46.54 80.17 Favored 'General case' 0 C--N 1.302 -1.466 0 C-N-CA 119.161 -1.016 . . . . 0.0 108.891 -179.685 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 63.4 mttm -69.19 -40.3 78.14 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 120.979 -1.075 . . . . 0.0 108.622 178.479 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.46 -37.18 84.58 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.309 -0.87 . . . . 0.0 109.571 179.47 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.476 ' N ' ' O ' ' A' ' 5' ' ' ILE . 56.6 tt0 -57.3 -40.09 77.12 Favored 'General case' 0 N--CA 1.486 1.37 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 -178.844 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 19.5 tp10 -60.62 -43.79 97.08 Favored 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 178.682 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.7 tm-20 -60.56 -41.49 94.69 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.361 -0.837 . . . . 0.0 108.849 178.875 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.529 ' O ' ' N ' ' A' ' 16' ' ' HIS . 13.8 t60 -61.54 -47.0 87.54 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.215 -0.928 . . . . 0.0 109.954 179.482 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.8 tp10 -60.83 -42.67 98.22 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.222 -0.924 . . . . 0.0 110.363 -179.196 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -62.63 -30.74 71.59 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.509 -0.744 . . . . 0.0 112.913 -178.207 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -140.81 -3.78 1.25 Allowed 'General case' 0 N--CA 1.509 2.487 0 O-C-N 120.755 -1.216 . . . . 0.0 112.453 -176.946 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.529 ' N ' ' O ' ' A' ' 12' ' ' HIS . 89.2 m-70 53.83 46.8 25.0 Favored 'General case' 0 N--CA 1.497 1.916 0 N-CA-C 107.359 -1.349 . . . . 0.0 107.359 -177.464 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 88.6 p -67.36 156.03 37.48 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.286 -0.884 . . . . 0.0 110.607 -178.197 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -71.72 154.29 41.45 Favored 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 179.872 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 47.2 p-90 -55.03 -31.41 61.07 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.182 -0.949 . . . . 0.0 110.384 -179.065 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 75.4 mtm180 -62.58 -40.1 95.8 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 120.9 -1.125 . . . . 0.0 109.802 -179.965 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.36 -47.7 63.52 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.329 -0.857 . . . . 0.0 109.476 -179.251 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 77.8 mtm -60.93 -39.67 90.3 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.17 -0.956 . . . . 0.0 109.469 179.545 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.491 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -57.67 -47.74 81.44 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.431 -0.793 . . . . 0.0 109.5 -179.631 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 33.2 t -70.26 -36.86 74.71 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.176 -0.953 . . . . 0.0 110.455 179.955 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -60.32 -39.83 88.42 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.211 -0.931 . . . . 0.0 110.532 -179.01 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -111.3 -1.74 15.93 Favored 'General case' 0 N--CA 1.505 2.288 0 O-C-N 121.362 -0.836 . . . . 0.0 109.817 -179.581 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.491 ' N ' ' O ' ' A' ' 23' ' ' ALA . 59.1 t30 58.54 49.92 9.88 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.136 -0.978 . . . . 0.0 110.594 179.884 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 81.4 mt -115.1 151.81 46.04 Favored Pre-proline 0 N--CA 1.507 2.386 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 179.374 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_endo -60.75 153.27 63.62 Favored 'Trans proline' 0 N--CA 1.496 1.639 0 C-N-CA 121.603 1.535 . . . . 0.0 111.38 -179.82 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_exo -45.3 -35.12 11.02 Favored 'Trans proline' 0 C--N 1.311 -1.447 0 C-N-CA 122.037 1.824 . . . . 0.0 112.042 179.579 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 70.4 t -54.13 -50.01 57.96 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.742 0 O-C-N 121.43 -0.794 . . . . 0.0 110.24 -178.225 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 62.2 t -67.01 -48.87 78.15 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.791 0 C-N-CA 118.594 -1.242 . . . . 0.0 109.092 -179.291 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.99 -45.21 86.57 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.295 -0.878 . . . . 0.0 110.646 -179.794 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 50.6 mtpt -61.77 -37.43 84.29 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.04 -1.038 . . . . 0.0 110.253 -179.911 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -61.44 -37.96 85.43 Favored 'General case' 0 N--CA 1.484 1.239 0 O-C-N 120.83 -1.169 . . . . 0.0 110.147 -178.647 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 43.6 mt -59.68 -39.67 80.24 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.387 0 C-N-CA 118.472 -1.291 . . . . 0.0 107.588 179.606 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 69.4 t -62.42 -39.49 84.5 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.403 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 178.678 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.75 -35.75 75.22 Favored 'General case' 0 C--N 1.305 -1.327 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 179.545 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 23.1 m -74.36 -33.63 63.15 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 121.435 -0.791 . . . . 0.0 109.661 -179.999 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 35.6 t -80.97 101.88 9.79 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.343 -0.848 . . . . 0.0 109.655 -179.441 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 -60.84 -28.57 68.92 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.451 -0.781 . . . . 0.0 110.526 -179.669 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 89.4 mttt -69.86 -40.42 75.78 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.545 -1.347 . . . . 0.0 110.205 -179.146 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 69.4 m -84.34 -23.17 30.32 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.093 -1.005 . . . . 0.0 109.377 179.76 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.5 ' NE2' ' OE1' ' B' ' 44' ' ' GLN . 56.4 tt0 -78.23 -73.89 0.3 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.065 -1.022 . . . . 0.0 108.688 -179.87 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 40.1 mt -83.24 113.53 20.74 Favored 'General case' 0 N--CA 1.493 1.705 0 N-CA-C 107.649 -1.241 . . . . 0.0 107.649 178.831 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 20.4 ttpt -88.07 -0.05 56.57 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.927 -1.108 . . . . 0.0 109.465 -179.06 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 95.59 25.19 14.0 Favored Glycine 0 N--CA 1.496 2.672 0 N-CA-C 109.325 -1.51 . . . . 0.0 109.325 -179.926 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -74.2 2.29 9.4 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.417 -1.049 . . . . 0.0 109.014 179.746 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -71.8 131.21 42.76 Favored 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 179.854 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.468 ' O ' ' O ' ' B' ' 50' ' ' MET . 2.5 mpt? -69.37 149.36 48.48 Favored 'General case' 0 C--N 1.298 -1.645 0 O-C-N 121.374 -0.829 . . . . 0.0 109.483 -179.867 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 70.9 t60 -166.0 150.8 8.3 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 120.986 -1.071 . . . . 0.0 108.878 179.392 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 142.87 148.92 5.03 Favored Glycine 0 N--CA 1.5 2.966 0 N-CA-C 110.32 -1.112 . . . . 0.0 110.32 179.459 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.424 ' O ' ' O ' ' A' ' 54' ' ' VAL . 90.7 mm-40 -103.39 11.22 36.83 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.673 -0.898 . . . . 0.0 108.769 179.399 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.424 ' O ' ' O ' ' A' ' 53' ' ' GLN . 3.3 t 59.27 154.14 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.853 0 O-C-N 121.466 -0.771 . . . . 0.0 109.065 -179.724 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 . . . . . 0 N--CA 1.49 1.544 0 O-C-N 120.869 -1.144 . . . . 0.0 109.473 -179.438 . . . . . . . . 0 0 . 1 . 036 nuclear build full ' B' B ' 1' ' ' PHE . . . . . 0.421 ' O ' HD12 ' B' ' 5' ' ' ILE . 42.4 m-85 . . . . . 0 N--CA 1.491 1.608 0 CA-C-O 121.482 0.658 . . . . 0.0 109.869 . . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 47.0 mt -69.23 -31.54 70.18 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.061 -1.024 . . . . 0.0 111.048 -178.264 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -60.94 -51.13 70.59 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 120.856 -1.153 . . . . 0.0 110.95 -178.699 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.36 -43.38 46.16 Favored Glycine 0 N--CA 1.492 2.414 0 N-CA-C 109.553 -1.419 . . . . 0.0 109.553 -179.372 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.44 ' O ' ' N ' ' B' ' 9' ' ' GLN . 86.2 mt -59.02 -39.67 78.89 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.705 0 O-C-N 121.396 -1.061 . . . . 0.0 109.802 179.987 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -56.81 -45.75 82.05 Favored 'General case' 0 C--N 1.302 -1.458 0 C-N-CA 119.263 -0.975 . . . . 0.0 108.573 -179.583 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 64.6 mttm -69.71 -40.35 76.33 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 120.899 -1.126 . . . . 0.0 108.792 178.362 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.46 -36.96 84.07 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.276 -0.89 . . . . 0.0 109.537 179.444 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 9' ' ' GLN . . . . . 0.44 ' N ' ' O ' ' B' ' 5' ' ' ILE . 54.5 tt0 -57.32 -40.4 77.83 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.229 -0.919 . . . . 0.0 108.691 -179.178 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 19.4 tp10 -60.35 -43.29 96.62 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 178.875 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 13.1 tm-20 -60.75 -42.01 96.57 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.182 -0.949 . . . . 0.0 108.953 179.006 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 12' ' ' HIS . . . . . 0.522 ' O ' ' N ' ' B' ' 16' ' ' HIS . 13.5 t60 -61.57 -46.64 89.0 Favored 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 119.689 -0.805 . . . . 0.0 110.085 179.814 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 42.4 tp10 -60.47 -42.07 95.48 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.044 -1.035 . . . . 0.0 110.404 -179.492 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 25.7 mtpp -63.65 -30.68 71.76 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.572 -0.705 . . . . 0.0 112.854 -178.379 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -140.84 -3.73 1.25 Allowed 'General case' 0 N--CA 1.507 2.386 0 O-C-N 120.496 -1.378 . . . . 0.0 112.78 -177.08 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.522 ' N ' ' O ' ' B' ' 12' ' ' HIS . 91.0 m-70 53.34 47.15 24.86 Favored 'General case' 0 N--CA 1.498 1.933 0 N-CA-C 107.29 -1.374 . . . . 0.0 107.29 -177.533 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 84.4 p -67.34 155.64 38.42 Favored 'General case' 0 C--N 1.3 -1.55 0 C-N-CA 119.771 -0.772 . . . . 0.0 110.201 -178.37 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -71.94 155.65 40.13 Favored 'General case' 0 N--CA 1.489 1.475 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 179.95 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 44.6 p-90 -55.41 -31.34 61.78 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.177 -0.952 . . . . 0.0 110.48 -179.078 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 76.3 mtm180 -62.61 -40.2 96.19 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 120.888 -1.132 . . . . 0.0 109.991 -179.97 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.94 -47.99 64.34 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.19 -0.944 . . . . 0.0 109.853 -179.175 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 78.9 mtm -60.51 -39.7 88.74 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.231 -0.918 . . . . 0.0 109.289 179.671 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.483 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -57.41 -47.43 81.75 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 119.654 -0.818 . . . . 0.0 109.528 -179.602 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 34.0 t -70.18 -38.39 75.38 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.263 -0.898 . . . . 0.0 110.754 -179.847 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -59.95 -39.82 86.86 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.246 -0.909 . . . . 0.0 110.588 -178.76 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -110.48 -2.38 16.56 Favored 'General case' 0 N--CA 1.501 2.075 0 O-C-N 121.457 -0.777 . . . . 0.0 109.992 -179.686 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.483 ' N ' ' O ' ' B' ' 23' ' ' ALA . 53.8 t30 58.85 50.0 9.14 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.294 -0.879 . . . . 0.0 110.548 179.603 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 83.9 mt -115.51 151.25 45.87 Favored Pre-proline 0 N--CA 1.504 2.239 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 179.142 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -60.14 154.47 51.47 Favored 'Trans proline' 0 N--CA 1.492 1.427 0 C-N-CA 121.461 1.44 . . . . 0.0 111.116 -179.854 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -46.04 -36.23 15.8 Favored 'Trans proline' 0 N--CA 1.491 1.339 0 C-N-CA 121.998 1.798 . . . . 0.0 112.107 179.608 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 76.4 t -52.74 -49.75 45.1 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.67 0 O-C-N 121.412 -0.805 . . . . 0.0 110.544 -178.414 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 61.6 t -67.85 -48.01 77.13 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.759 0 C-N-CA 118.705 -1.198 . . . . 0.0 109.387 -179.082 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.67 -45.41 83.0 Favored 'General case' 0 C--N 1.301 -1.536 0 C-N-CA 119.692 -0.803 . . . . 0.0 110.124 -179.767 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 51.6 mtpt -60.67 -38.55 85.28 Favored 'General case' 0 N--CA 1.486 1.369 0 O-C-N 120.987 -1.071 . . . . 0.0 110.237 179.822 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 14.6 tm-20 -60.8 -38.14 84.36 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.019 -1.05 . . . . 0.0 110.132 -178.45 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 47.8 mt -59.76 -39.9 81.05 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.406 0 O-C-N 120.655 -1.278 . . . . 0.0 107.624 179.828 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 72.8 t -62.42 -39.61 84.96 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 178.631 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 38' ' ' ALA . . . . . 0.478 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -59.41 -35.45 74.0 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 179.366 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 21.5 m -75.69 -32.05 59.95 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.224 -0.923 . . . . 0.0 109.997 -179.881 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 38.8 t -81.62 101.12 9.81 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.309 -0.869 . . . . 0.0 109.635 -179.421 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -60.4 -29.3 68.87 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.275 -0.891 . . . . 0.0 110.515 -179.476 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 88.8 mttt -68.81 -40.83 79.33 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.588 -1.32 . . . . 0.0 110.062 -178.897 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 87.7 m -84.12 -24.54 30.23 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 120.781 -1.199 . . . . 0.0 109.766 179.607 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 44' ' ' GLN . . . . . 0.5 ' OE1' ' NE2' ' A' ' 44' ' ' GLN . 7.0 tt0 -76.78 -72.15 0.36 Allowed 'General case' 0 N--CA 1.488 1.455 0 O-C-N 120.863 -1.148 . . . . 0.0 108.89 -179.885 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 39.6 mt -84.12 113.43 21.05 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 107.612 -1.255 . . . . 0.0 107.612 178.717 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 19.9 ttpt -87.83 -0.37 56.86 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.91 -1.119 . . . . 0.0 109.525 -178.896 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 97.47 21.53 19.28 Favored Glycine 0 N--CA 1.495 2.582 0 N-CA-C 109.38 -1.488 . . . . 0.0 109.38 -179.807 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 22.0 pt-20 -70.66 3.23 3.29 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.516 -0.991 . . . . 0.0 109.359 -179.949 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.86 130.32 40.15 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.304 -0.872 . . . . 0.0 109.524 179.816 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 50' ' ' MET . . . . . 0.468 ' O ' ' O ' ' A' ' 50' ' ' MET . 2.6 mpt? -68.8 149.91 48.44 Favored 'General case' 0 N--CA 1.486 1.341 0 O-C-N 121.475 -0.766 . . . . 0.0 109.217 -179.955 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 72.8 t60 -166.79 150.58 6.98 Favored 'General case' 0 C--N 1.298 -1.661 0 O-C-N 121.144 -0.973 . . . . 0.0 108.924 179.427 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 141.93 145.54 4.53 Favored Glycine 0 N--CA 1.499 2.842 0 C-N-CA 119.845 -1.169 . . . . 0.0 110.188 179.533 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 53' ' ' GLN . . . . . 0.429 ' O ' ' O ' ' B' ' 54' ' ' VAL . 89.3 mm-40 -100.59 11.56 39.23 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.446 -1.032 . . . . 0.0 108.837 179.738 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.429 ' O ' ' O ' ' B' ' 53' ' ' GLN . 3.0 t 59.07 154.39 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.301 -1.51 0 CA-C-O 121.552 0.692 . . . . 0.0 109.247 -179.589 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 84.0 m-20 . . . . . 0 C--N 1.302 -1.499 0 O-C-N 120.892 -1.13 . . . . 0.0 109.598 -179.516 . . . . . . . . 0 0 . 1 . 036 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 036 nuclear build full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 037 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.515 ' O ' HD12 ' A' ' 5' ' ' ILE . 43.3 m-85 . . . . . 0 N--CA 1.49 1.562 0 CA-C-O 121.535 0.683 . . . . 0.0 109.587 . . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 20.0 mt -67.95 -32.2 72.48 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.691 -0.63 . . . . 0.0 111.553 -178.045 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 58.9 t0 -65.16 -55.39 18.9 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.828 -1.17 . . . . 0.0 110.975 -178.609 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.39 -42.51 97.64 Favored Glycine 0 N--CA 1.488 2.145 0 N-CA-C 109.531 -1.427 . . . . 0.0 109.531 -179.623 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.515 HD12 ' O ' ' A' ' 1' ' ' PHE . 81.2 mt -59.86 -40.0 81.52 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.536 0 O-C-N 121.499 -1.0 . . . . 0.0 110.201 -179.882 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -54.8 -46.79 74.54 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 120.618 -1.301 . . . . 0.0 108.941 -179.375 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 50.8 mttp -69.58 -40.73 76.55 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.06 -1.025 . . . . 0.0 108.869 179.225 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.98 -35.4 78.28 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.313 -0.867 . . . . 0.0 109.453 -179.872 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.441 ' N ' ' O ' ' A' ' 5' ' ' ILE . 59.6 tt0 -58.16 -41.22 83.33 Favored 'General case' 0 C--N 1.305 -1.353 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 -179.677 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -61.9 -40.82 96.77 Favored 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 119.659 -0.816 . . . . 0.0 109.192 179.269 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.464 ' CD ' ' HG ' ' A' ' 17' ' ' SER . 12.1 tm-20 -60.43 -40.37 90.84 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.094 -1.004 . . . . 0.0 108.635 179.284 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.536 ' O ' ' N ' ' A' ' 16' ' ' HIS . 14.9 t60 -62.68 -46.09 89.76 Favored 'General case' 0 C--N 1.305 -1.327 0 O-C-N 121.238 -0.913 . . . . 0.0 110.322 179.903 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -60.38 -44.42 95.67 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.082 -1.011 . . . . 0.0 110.369 -179.083 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.0 mtpp -61.93 -31.08 71.37 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.274 -0.891 . . . . 0.0 113.111 -178.452 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 33.7 m-85 -139.11 -5.27 1.47 Allowed 'General case' 0 N--CA 1.506 2.345 0 O-C-N 120.647 -1.283 . . . . 0.0 112.687 -176.502 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.536 ' N ' ' O ' ' A' ' 12' ' ' HIS . 91.0 m-70 54.25 41.91 31.76 Favored 'General case' 0 N--CA 1.495 1.799 0 N-CA-C 107.317 -1.364 . . . . 0.0 107.317 -177.676 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.464 ' HG ' ' CD ' ' A' ' 11' ' ' GLU . 80.2 p -64.44 153.51 38.53 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.6 -0.688 . . . . 0.0 110.104 -178.509 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -71.32 157.84 37.39 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.462 -0.773 . . . . 0.0 109.186 179.602 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 48.6 p-90 -56.67 -32.16 65.14 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.407 -0.808 . . . . 0.0 110.606 -179.265 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -60.97 -40.16 92.32 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 120.955 -1.091 . . . . 0.0 109.179 -179.944 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.59 -48.76 63.35 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.595 -0.691 . . . . 0.0 109.159 -179.917 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 78.6 mtm -61.59 -40.74 95.88 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.165 -0.959 . . . . 0.0 109.005 179.411 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.497 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -57.86 -47.31 83.09 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.229 -0.919 . . . . 0.0 109.069 179.661 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 43.7 m -70.32 -34.71 73.03 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.273 -0.892 . . . . 0.0 110.199 179.984 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -61.55 -42.15 98.41 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.008 -1.057 . . . . 0.0 110.038 -179.038 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -109.54 1.32 19.66 Favored 'General case' 0 N--CA 1.501 2.08 0 O-C-N 121.5 -0.75 . . . . 0.0 110.229 -179.416 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.497 ' N ' ' O ' ' A' ' 23' ' ' ALA . 64.1 m-20 54.72 51.1 14.41 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.422 -0.799 . . . . 0.0 109.684 179.804 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 85.3 mt -115.37 153.01 47.53 Favored Pre-proline 0 N--CA 1.503 2.178 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 179.833 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_endo -61.57 144.04 97.42 Favored 'Trans proline' 0 N--CA 1.496 1.634 0 C-N-CA 121.97 1.78 . . . . 0.0 111.715 -179.896 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -39.69 -34.74 0.83 Allowed 'Trans proline' 0 N--CA 1.487 1.137 0 C-N-CA 122.281 1.987 . . . . 0.0 112.23 -179.417 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 89.0 t -54.87 -49.68 67.94 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.804 0 O-C-N 121.345 -0.847 . . . . 0.0 110.257 -178.599 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 61.7 t -66.83 -48.38 79.98 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.009 0 C-N-CA 118.421 -1.311 . . . . 0.0 109.539 -178.939 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.4 -44.67 82.38 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.391 -0.818 . . . . 0.0 109.665 -179.673 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.17 -38.0 81.89 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.931 -1.106 . . . . 0.0 109.797 -179.942 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.4 tm-20 -60.07 -39.74 87.1 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.195 -0.94 . . . . 0.0 110.452 -178.911 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 53.1 mt -59.72 -39.58 80.09 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 120.882 -1.136 . . . . 0.0 108.657 179.993 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 62.8 t -62.43 -39.41 84.23 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.706 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 179.078 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.88 -32.14 71.59 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.522 -0.736 . . . . 0.0 109.994 179.448 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.0 m -78.49 -26.4 45.99 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.935 -1.103 . . . . 0.0 109.747 -179.705 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 41.2 t -81.26 103.29 10.94 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.137 -0.977 . . . . 0.0 109.067 -179.912 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -60.36 -31.2 70.1 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.315 -0.866 . . . . 0.0 110.016 -179.745 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -69.56 -40.17 76.95 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.028 -1.045 . . . . 0.0 111.233 -178.587 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 67.9 m -84.6 -26.38 27.95 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 120.771 -1.206 . . . . 0.0 109.493 179.97 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -73.95 -71.86 0.3 Allowed 'General case' 0 N--CA 1.486 1.341 0 N-CA-C 107.553 -1.277 . . . . 0.0 107.553 179.387 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 51.1 mt -83.86 107.23 16.13 Favored 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 107.051 -1.463 . . . . 0.0 107.051 178.046 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -87.81 2.52 51.14 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.032 -1.042 . . . . 0.0 109.262 -179.345 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.56 -4.92 69.91 Favored Glycine 0 N--CA 1.492 2.4 0 N-CA-C 109.732 -1.347 . . . . 0.0 109.732 179.717 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 -72.0 -12.03 61.04 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.118 -1.225 . . . . 0.0 108.81 179.628 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.427 ' O ' ' O ' ' B' ' 49' ' ' ALA . . . -89.56 -12.84 38.7 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.226 -0.921 . . . . 0.0 109.456 178.991 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 86.4 mmm -85.19 143.16 28.95 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.148 -0.97 . . . . 0.0 109.375 -179.923 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.413 ' O ' ' ND1' ' A' ' 51' ' ' HIS . 55.6 t-80 57.4 46.0 18.95 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.389 -0.819 . . . . 0.0 109.684 -179.88 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -69.05 131.24 25.21 Favored Glycine 0 N--CA 1.489 2.222 0 N-CA-C 108.7 -1.76 . . . . 0.0 108.7 179.6 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.423 ' O ' ' O ' ' A' ' 54' ' ' VAL . 87.8 mt-30 49.41 -153.18 0.13 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.092 -1.24 . . . . 0.0 108.942 -179.87 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.423 ' O ' ' O ' ' A' ' 53' ' ' GLN . 4.3 t 56.78 164.7 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.314 -0.866 . . . . 0.0 109.473 179.447 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 58.1 t0 . . . . . 0 N--CA 1.493 1.684 0 CA-C-O 117.875 -1.06 . . . . 0.0 109.72 -179.884 . . . . . . . . 0 0 . 1 . 037 nuclear build full ' B' B ' 1' ' ' PHE . . . . . 0.49 ' O ' HD12 ' B' ' 5' ' ' ILE . 41.8 m-85 . . . . . 0 N--CA 1.494 1.727 0 CA-C-O 121.444 0.64 . . . . 0.0 110.044 . . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 19.7 mt -67.98 -33.15 74.1 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.688 -0.632 . . . . 0.0 111.487 -178.003 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 58.4 t0 -64.16 -55.05 24.55 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.776 -1.202 . . . . 0.0 111.237 -178.865 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.56 -43.03 97.13 Favored Glycine 0 N--CA 1.492 2.387 0 N-CA-C 109.429 -1.469 . . . . 0.0 109.429 -179.685 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.49 HD12 ' O ' ' B' ' 1' ' ' PHE . 83.5 mt -59.52 -38.78 77.07 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.701 -0.882 . . . . 0.0 110.726 -179.959 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -56.19 -47.21 78.77 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 120.875 -1.141 . . . . 0.0 108.682 -179.286 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 50.2 mttp -69.06 -40.13 78.69 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.27 -0.894 . . . . 0.0 109.105 179.459 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.34 -35.38 77.68 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.612 -0.68 . . . . 0.0 109.32 179.733 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -58.47 -41.66 85.72 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.227 -0.92 . . . . 0.0 108.632 -179.786 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -60.98 -41.22 96.02 Favored 'General case' 0 N--CA 1.49 1.559 0 C-N-CA 119.405 -0.918 . . . . 0.0 109.292 179.021 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 11.9 tm-20 -60.19 -40.02 88.56 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.063 -1.023 . . . . 0.0 108.582 179.708 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 12' ' ' HIS . . . . . 0.517 ' O ' ' N ' ' B' ' 16' ' ' HIS . 15.3 t60 -63.26 -45.63 90.59 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.333 -0.854 . . . . 0.0 110.267 -179.989 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -61.1 -44.72 96.92 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 120.929 -1.107 . . . . 0.0 110.389 -178.995 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 23.5 mtpp -61.32 -32.51 72.37 Favored 'General case' 0 N--CA 1.491 1.588 0 N-CA-C 112.937 0.717 . . . . 0.0 112.937 -178.744 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -137.72 -5.05 1.76 Allowed 'General case' 0 N--CA 1.505 2.319 0 O-C-N 120.592 -1.318 . . . . 0.0 112.826 -176.833 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.517 ' N ' ' O ' ' B' ' 12' ' ' HIS . 91.8 m-70 53.84 43.28 31.17 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.494 -1.379 . . . . 0.0 107.307 -177.613 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 79.7 p -65.77 154.37 39.25 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.689 -0.632 . . . . 0.0 110.306 -178.846 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 83.8 m-20 -71.74 157.98 36.95 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.3 -0.875 . . . . 0.0 109.035 179.318 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 48.3 p-90 -57.12 -31.63 65.5 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.516 -0.74 . . . . 0.0 110.705 -179.279 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -61.29 -39.92 92.21 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.853 -1.155 . . . . 0.0 108.989 179.669 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.41 -49.58 58.98 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.41 -0.806 . . . . 0.0 109.005 179.771 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 79.3 mtm -60.72 -40.56 92.78 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.974 -1.079 . . . . 0.0 109.086 179.369 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.461 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -57.81 -47.3 83.01 Favored 'General case' 0 C--N 1.303 -1.432 0 C-N-CA 119.465 -0.894 . . . . 0.0 109.308 179.882 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 42.0 m -70.26 -35.63 73.91 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.303 -0.873 . . . . 0.0 110.241 -179.937 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 66.8 t0 -60.69 -42.24 96.76 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.031 -1.043 . . . . 0.0 110.446 -178.791 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -109.46 1.28 19.75 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 121.313 -0.867 . . . . 0.0 110.142 -179.584 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.461 ' N ' ' O ' ' B' ' 23' ' ' ALA . 66.5 m-20 55.22 49.88 16.28 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.347 -0.846 . . . . 0.0 109.677 179.985 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 77.0 mt -114.06 152.5 45.85 Favored Pre-proline 0 N--CA 1.502 2.128 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 179.767 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_endo -61.3 144.97 98.84 Favored 'Trans proline' 0 N--CA 1.497 1.734 0 C-N-CA 121.937 1.758 . . . . 0.0 111.769 -179.898 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 30' ' ' PRO . . . . . 0.404 ' O ' ' CG ' ' B' ' 34' ' ' LYS . 38.4 Cg_exo -40.17 -34.5 1.03 Allowed 'Trans proline' 0 N--CA 1.491 1.359 0 C-N-CA 122.302 2.002 . . . . 0.0 112.473 -179.364 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 87.1 t -55.75 -49.81 71.99 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.639 0 O-C-N 121.36 -0.837 . . . . 0.0 110.325 -178.508 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 57.1 t -66.28 -47.79 83.2 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.915 0 C-N-CA 118.56 -1.256 . . . . 0.0 109.538 -179.194 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.97 -44.77 79.65 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.477 -0.764 . . . . 0.0 110.211 -179.801 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.404 ' CG ' ' O ' ' B' ' 30' ' ' PRO . 1.1 mmmp? -60.06 -37.12 78.94 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.032 -1.043 . . . . 0.0 109.735 179.876 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.2 tm-20 -61.08 -39.87 91.55 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.064 -1.023 . . . . 0.0 110.353 -178.883 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 54.4 mt -59.65 -39.69 80.24 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 121.109 -0.994 . . . . 0.0 108.376 -179.834 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 60.2 t -62.65 -39.44 84.68 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 179.372 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.63 -31.84 71.02 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.657 -0.652 . . . . 0.0 110.121 179.195 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 38.0 m -78.73 -26.32 44.68 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.011 -1.056 . . . . 0.0 109.703 -179.593 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 41.5 t -81.38 103.57 11.23 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.426 -0.796 . . . . 0.0 109.503 -179.982 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -60.15 -31.26 69.93 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.3 -0.875 . . . . 0.0 110.289 -179.91 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -69.92 -40.89 75.29 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.894 -1.129 . . . . 0.0 111.187 -178.684 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 70.6 m -84.01 -25.67 29.77 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 120.827 -1.171 . . . . 0.0 109.792 179.959 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -74.65 -73.32 0.24 Allowed 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 107.436 -1.32 . . . . 0.0 107.436 179.26 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 42.6 mt -83.02 107.54 15.69 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 107.161 -1.422 . . . . 0.0 107.161 177.736 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -87.69 0.31 55.87 Favored 'General case' 0 C--N 1.298 -1.663 0 O-C-N 121.238 -0.914 . . . . 0.0 109.478 -179.474 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.79 -4.39 63.4 Favored Glycine 0 N--CA 1.488 2.152 0 N-CA-C 109.629 -1.388 . . . . 0.0 109.629 179.591 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -72.48 -13.07 61.34 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.924 -1.339 . . . . 0.0 108.752 179.27 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 49' ' ' ALA . . . . . 0.427 ' O ' ' O ' ' A' ' 49' ' ' ALA . . . -89.43 -12.14 41.09 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.466 -0.771 . . . . 0.0 109.545 179.509 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 88.7 mmm -86.0 143.86 27.9 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 120.999 -1.063 . . . . 0.0 108.82 -179.76 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 51' ' ' HIS . . . . . 0.423 ' HE2' ' C ' ' B' ' 55' ' ' ASP . 56.3 t-80 57.14 46.3 19.22 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.21 -0.931 . . . . 0.0 109.658 -179.788 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -68.85 132.08 26.24 Favored Glycine 0 N--CA 1.488 2.126 0 N-CA-C 108.699 -1.76 . . . . 0.0 108.699 179.349 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 53' ' ' GLN . . . . . 0.428 ' O ' ' O ' ' B' ' 54' ' ' VAL . 87.4 mt-30 48.26 -153.27 0.1 Allowed 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.962 -1.316 . . . . 0.0 109.108 -179.927 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.428 ' O ' ' O ' ' B' ' 53' ' ' GLN . 3.9 t 56.89 165.25 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 O-C-N 120.963 -1.085 . . . . 0.0 109.439 179.523 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.423 ' C ' ' HE2' ' B' ' 51' ' ' HIS . 59.6 t0 . . . . . 0 N--CA 1.495 1.824 0 O-C-N 121.115 -0.991 . . . . 0.0 109.705 -179.737 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 037 nuclear build full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 038 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 . . . . . 0 N--CA 1.492 1.652 0 CA-C-O 121.841 0.829 . . . . 0.0 109.858 . . . . . . . . . 0 0 . 1 . 038 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 20.0 mt -69.04 -31.85 70.93 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.572 -0.705 . . . . 0.0 111.155 -177.742 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.506 ' OD1' ' N ' ' A' ' 3' ' ' ASP . 22.0 p-10 -65.82 -57.71 7.31 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.771 -1.205 . . . . 0.0 111.169 -178.759 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.8 -41.74 97.75 Favored Glycine 0 N--CA 1.491 2.313 0 N-CA-C 110.398 -1.081 . . . . 0.0 110.398 -179.089 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.422 HD11 HG11 ' B' ' 31' ' ' VAL . 93.4 mt -60.08 -40.42 83.23 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.799 0 O-C-N 120.939 -1.33 . . . . 0.0 110.409 -179.721 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 61.8 t0 -54.93 -45.87 74.87 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 120.773 -1.205 . . . . 0.0 109.33 -179.135 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 48.1 mtmt -70.1 -41.51 73.94 Favored 'General case' 0 N--CA 1.488 1.455 0 C-N-CA 118.978 -1.089 . . . . 0.0 109.358 179.412 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.98 -36.69 80.45 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.514 -0.742 . . . . 0.0 109.277 179.662 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -57.3 -40.08 77.08 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.345 -0.847 . . . . 0.0 109.777 -179.588 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -63.43 -44.21 95.21 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.093 -1.004 . . . . 0.0 109.32 179.401 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 23.9 tp10 -59.91 -39.94 87.12 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.177 -0.952 . . . . 0.0 108.9 179.288 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.512 ' O ' ' N ' ' A' ' 16' ' ' HIS . 13.0 t60 -60.54 -47.28 86.87 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.218 -0.926 . . . . 0.0 109.897 179.4 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -60.7 -40.38 92.02 Favored 'General case' 0 C--N 1.298 -1.647 0 O-C-N 121.383 -0.823 . . . . 0.0 109.958 -179.21 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -64.03 -30.3 71.38 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.147 -0.971 . . . . 0.0 113.066 -179.089 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -140.59 -7.31 1.13 Allowed 'General case' 0 N--CA 1.506 2.362 0 O-C-N 120.572 -1.33 . . . . 0.0 112.62 -176.999 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.512 ' N ' ' O ' ' A' ' 12' ' ' HIS . 90.3 m-70 55.07 42.38 30.91 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 107.133 -1.432 . . . . 0.0 107.133 -177.559 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 92.1 p -66.52 157.64 31.7 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.652 -0.655 . . . . 0.0 110.476 -178.548 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -71.89 157.59 37.58 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.48 -0.762 . . . . 0.0 109.062 179.669 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 46.0 p-90 -56.42 -30.96 63.45 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.115 -0.991 . . . . 0.0 110.523 -179.563 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -61.37 -40.56 94.76 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.834 -1.166 . . . . 0.0 109.594 179.875 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.65 -48.12 64.82 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.264 -0.897 . . . . 0.0 109.218 -179.591 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 78.3 mtm -62.24 -40.58 96.65 Favored 'General case' 0 C--N 1.301 -1.51 0 C-N-CA 119.63 -0.828 . . . . 0.0 109.942 -179.82 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.504 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -58.69 -45.56 89.18 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.15 -0.969 . . . . 0.0 109.561 -179.628 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 25.5 t -70.2 -36.66 74.76 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.303 -0.873 . . . . 0.0 110.298 -179.637 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -60.36 -42.08 95.01 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.416 -0.802 . . . . 0.0 110.189 -178.893 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -108.87 1.07 20.58 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.528 -0.732 . . . . 0.0 110.31 -179.832 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.504 ' N ' ' O ' ' A' ' 23' ' ' ALA . 95.5 m-20 55.75 49.95 15.2 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.165 -0.959 . . . . 0.0 110.27 179.405 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 77.8 mt -116.11 150.62 45.48 Favored Pre-proline 0 N--CA 1.497 1.907 0 N-CA-C 107.609 -1.256 . . . . 0.0 107.609 179.4 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -60.52 152.97 64.35 Favored 'Trans proline' 0 C--N 1.307 -1.614 0 C-N-CA 121.411 1.407 . . . . 0.0 111.484 -179.667 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -45.55 -37.51 15.25 Favored 'Trans proline' 0 C--N 1.31 -1.467 0 C-N-CA 121.923 1.749 . . . . 0.0 112.053 179.869 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.464 HG11 HD11 ' B' ' 5' ' ' ILE . 60.0 t -53.77 -49.27 58.83 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.792 0 O-C-N 120.837 -1.164 . . . . 0.0 110.685 -178.272 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 58.5 t -66.84 -48.74 78.9 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.768 0 C-N-CA 118.383 -1.327 . . . . 0.0 109.442 -178.581 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.61 -42.16 87.27 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.32 -0.863 . . . . 0.0 110.027 179.689 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.0 mtpm? -62.27 -36.02 80.77 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 120.765 -1.209 . . . . 0.0 109.889 179.715 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.433 ' HG3' HG13 ' B' ' 31' ' ' VAL . 15.5 tm-20 -60.05 -38.63 83.36 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 121.255 -0.903 . . . . 0.0 109.385 -179.008 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 69.0 mt -59.84 -39.89 81.2 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 120.957 -1.089 . . . . 0.0 108.807 179.428 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 92.5 t -63.25 -40.03 87.49 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 178.944 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.04 -30.56 70.39 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.428 -0.795 . . . . 0.0 109.531 179.446 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 64.1 m -81.45 -24.04 37.09 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.181 -0.949 . . . . 0.0 109.692 -179.544 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 42.7 t -85.1 105.78 16.09 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.09 -1.006 . . . . 0.0 109.585 -179.872 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -62.32 -29.91 70.78 Favored 'General case' 0 C--N 1.301 -1.542 0 C-N-CA 120.072 -0.651 . . . . 0.0 109.882 179.907 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -70.45 -41.32 72.98 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.144 -0.973 . . . . 0.0 110.615 -178.922 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 85.0 m -87.24 -25.78 23.82 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 120.861 -1.149 . . . . 0.0 110.356 -179.986 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -72.61 -70.15 0.36 Allowed 'General case' 0 N--CA 1.498 1.974 0 O-C-N 120.995 -1.065 . . . . 0.0 109.089 -179.043 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 38.8 mt -81.31 107.47 14.12 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 179.578 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 52.2 tttp -90.26 -72.37 0.57 Allowed 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.24 -0.912 . . . . 0.0 109.463 -179.547 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -154.59 -125.31 0.97 Allowed Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.404 -1.479 . . . . 0.0 109.404 -179.705 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 54.33 29.07 10.22 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.642 -0.916 . . . . 0.0 109.352 -179.756 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.509 ' O ' ' ND1' ' A' ' 51' ' ' HIS . . . -84.99 139.55 31.71 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.297 -0.877 . . . . 0.0 109.52 179.787 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 53.9 mtt -64.93 139.97 58.82 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.48 -0.762 . . . . 0.0 109.237 179.934 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.509 ' ND1' ' O ' ' A' ' 49' ' ' ALA . 16.7 p-80 -170.4 104.19 0.28 Allowed 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.231 -0.918 . . . . 0.0 108.712 179.824 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -65.37 160.96 42.76 Favored Glycine 0 N--CA 1.489 2.214 0 N-CA-C 109.558 -1.417 . . . . 0.0 109.558 -179.423 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 91.9 mt-30 -84.83 13.84 5.44 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.171 -1.194 . . . . 0.0 108.468 179.854 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.561 HG12 ' H ' ' A' ' 55' ' ' ASP . 1.6 t 46.17 -149.75 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.769 0 O-C-N 121.522 -0.736 . . . . 0.0 109.375 179.831 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.561 ' H ' HG12 ' A' ' 54' ' ' VAL . 48.6 m-20 . . . . . 0 N--CA 1.483 1.187 0 CA-C-O 118.157 -0.925 . . . . 0.0 108.85 179.717 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 . . . . . 0 N--CA 1.492 1.633 0 CA-C-O 121.821 0.819 . . . . 0.0 109.853 . . . . . . . . . 0 0 . 1 . 038 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 20.3 mt -69.58 -31.06 68.99 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.475 -0.765 . . . . 0.0 110.737 -177.912 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 3' ' ' ASP . . . . . 0.52 ' OD1' ' N ' ' B' ' 3' ' ' ASP . 18.6 p-10 -65.21 -58.39 6.09 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.854 -1.154 . . . . 0.0 111.226 -178.921 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.88 -41.14 97.61 Favored Glycine 0 N--CA 1.499 2.871 0 N-CA-C 110.282 -1.127 . . . . 0.0 110.282 -178.626 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.464 HD11 HG11 ' A' ' 31' ' ' VAL . 92.6 mt -60.71 -39.91 83.15 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 O-C-N 121.263 -1.139 . . . . 0.0 110.349 -179.627 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -55.85 -45.23 78.5 Favored 'General case' 0 C--N 1.298 -1.642 0 C-N-CA 118.933 -1.107 . . . . 0.0 108.999 -178.906 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 47.1 mtmt -69.92 -42.24 73.57 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.148 -0.97 . . . . 0.0 109.232 178.941 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.45 -37.32 82.77 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 121.354 -0.841 . . . . 0.0 109.605 -179.954 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 55.4 tt0 -56.73 -41.99 78.44 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.516 -0.74 . . . . 0.0 109.678 -179.402 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -62.57 -42.81 99.78 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.124 -0.985 . . . . 0.0 108.988 179.554 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 28.1 tp10 -60.9 -40.03 91.54 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 120.897 -1.127 . . . . 0.0 108.619 178.934 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 12' ' ' HIS . . . . . 0.531 ' O ' ' N ' ' B' ' 16' ' ' HIS . 12.6 t60 -60.41 -47.36 86.44 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.235 -0.916 . . . . 0.0 109.858 179.806 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -60.26 -40.52 90.62 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.144 -0.973 . . . . 0.0 110.265 -179.717 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp -63.86 -30.44 71.53 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.331 -0.855 . . . . 0.0 112.746 -178.604 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -140.15 -8.94 1.16 Allowed 'General case' 0 N--CA 1.508 2.435 0 O-C-N 120.701 -1.249 . . . . 0.0 112.799 -177.109 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.531 ' N ' ' O ' ' B' ' 12' ' ' HIS . 90.3 m-70 55.77 43.35 27.95 Favored 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 107.175 -1.417 . . . . 0.0 107.175 -177.117 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 95.0 p -68.28 158.87 32.44 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.633 -0.667 . . . . 0.0 110.342 -178.618 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -73.0 157.93 36.45 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.378 -0.826 . . . . 0.0 109.43 179.886 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 43.4 p-90 -56.27 -30.1 62.0 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.338 -0.851 . . . . 0.0 110.653 -179.557 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -62.64 -40.13 96.05 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.067 -1.021 . . . . 0.0 109.665 -179.926 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.08 -48.88 61.57 Favored 'General case' 0 C--N 1.297 -1.702 0 O-C-N 121.516 -0.74 . . . . 0.0 109.151 179.965 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 78.0 mtm -61.61 -40.08 93.55 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.512 -0.743 . . . . 0.0 109.794 -179.943 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.508 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -59.51 -45.47 91.64 Favored 'General case' 0 N--CA 1.49 1.566 0 C-N-CA 119.244 -0.982 . . . . 0.0 109.613 -179.649 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 32.8 t -69.94 -37.26 75.82 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.271 -0.893 . . . . 0.0 110.311 179.798 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -59.43 -41.76 90.29 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.256 -0.902 . . . . 0.0 109.843 -178.836 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -109.71 2.83 20.37 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.275 -0.891 . . . . 0.0 109.959 -179.757 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.508 ' N ' ' O ' ' B' ' 23' ' ' ALA . 97.8 m-20 53.35 49.84 18.85 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.294 -0.879 . . . . 0.0 110.089 179.39 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 77.3 mt -115.39 151.47 45.98 Favored Pre-proline 0 N--CA 1.497 1.913 0 N-CA-C 107.437 -1.32 . . . . 0.0 107.437 179.123 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -60.77 153.64 61.16 Favored 'Trans proline' 0 C--N 1.311 -1.429 0 C-N-CA 121.655 1.57 . . . . 0.0 111.664 -179.813 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_exo -46.19 -38.37 19.61 Favored 'Trans proline' 0 C--N 1.312 -1.377 0 C-N-CA 121.776 1.651 . . . . 0.0 111.897 179.619 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.433 HG13 ' HG3' ' A' ' 35' ' ' GLU . 61.4 t -53.0 -49.32 49.84 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.789 0 O-C-N 120.959 -1.088 . . . . 0.0 110.791 -178.653 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 59.9 t -67.21 -48.62 77.86 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.71 0 C-N-CA 118.188 -1.405 . . . . 0.0 109.47 -178.656 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.78 -41.26 87.98 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.087 -1.008 . . . . 0.0 110.057 -179.806 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 10.0 mtpm? -62.48 -36.43 82.48 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.905 -1.122 . . . . 0.0 109.997 179.397 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 35' ' ' GLU . . . . . 0.452 ' HG3' HG13 ' A' ' 31' ' ' VAL . 15.7 tm-20 -59.8 -37.59 79.55 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 120.999 -1.063 . . . . 0.0 109.52 -179.126 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 65.2 mt -59.87 -40.1 81.84 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.103 -0.998 . . . . 0.0 108.803 179.098 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 86.1 t -64.06 -39.7 86.39 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.403 0 N-CA-C 108.493 -0.929 . . . . 0.0 108.493 179.051 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 38' ' ' ALA . . . . . 0.447 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -61.22 -30.05 70.2 Favored 'General case' 0 C--N 1.3 -1.561 0 C-N-CA 119.801 -0.76 . . . . 0.0 109.496 179.534 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 56.0 m -81.53 -23.44 37.26 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.902 -1.124 . . . . 0.0 109.76 -179.962 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 42.4 t -85.65 104.52 15.46 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.182 -0.949 . . . . 0.0 109.776 -179.759 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 58.7 m-20 -60.8 -30.67 70.2 Favored 'General case' 0 C--N 1.299 -1.625 0 O-C-N 121.353 -0.842 . . . . 0.0 110.094 179.884 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -70.15 -42.2 72.85 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.012 -1.055 . . . . 0.0 110.782 -178.791 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 90.2 m -85.87 -24.99 26.46 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.881 -1.137 . . . . 0.0 110.263 -179.716 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 44' ' ' GLN . . . . . 0.447 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 7.0 tt0 -73.98 -70.4 0.39 Allowed 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.919 -1.113 . . . . 0.0 109.408 -179.277 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 35.0 mt -80.72 108.42 14.36 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 108.212 -1.032 . . . . 0.0 108.212 179.586 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 51.5 tttp -90.76 -72.7 0.56 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.289 -0.882 . . . . 0.0 109.272 -179.767 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -155.19 -124.3 0.88 Allowed Glycine 0 N--CA 1.494 2.504 0 N-CA-C 109.507 -1.437 . . . . 0.0 109.507 179.419 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 54.0 27.23 7.19 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.357 -1.084 . . . . 0.0 108.922 -179.663 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 49' ' ' ALA . . . . . 0.438 ' O ' ' ND1' ' B' ' 51' ' ' HIS . . . -82.45 140.39 33.43 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.287 -0.883 . . . . 0.0 109.067 179.527 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 56.2 mtt -65.95 140.7 58.34 Favored 'General case' 0 C--N 1.299 -1.611 0 C-N-CA 119.939 -0.704 . . . . 0.0 109.638 -179.859 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 51' ' ' HIS . . . . . 0.438 ' ND1' ' O ' ' B' ' 49' ' ' ALA . 17.2 p-80 -170.18 104.85 0.3 Allowed 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.261 -0.899 . . . . 0.0 109.041 179.511 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -65.43 159.9 44.35 Favored Glycine 0 N--CA 1.486 1.982 0 N-CA-C 109.546 -1.422 . . . . 0.0 109.546 -179.71 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 91.8 mt-30 -83.97 12.24 6.55 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.376 -1.073 . . . . 0.0 108.728 179.79 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.548 HG12 ' H ' ' B' ' 55' ' ' ASP . 1.5 t 46.26 -150.2 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 O-C-N 121.684 -0.635 . . . . 0.0 109.375 -179.983 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.548 ' H ' HG12 ' B' ' 54' ' ' VAL . 31.6 m-20 . . . . . 0 N--CA 1.49 1.539 0 CA-C-O 117.851 -1.071 . . . . 0.0 110.046 -179.643 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 038 nuclear build full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . 0.427 ' O ' HD12 ' A' ' 5' ' ' ILE . 62.2 m-85 . . . . . 0 N--CA 1.491 1.606 0 CA-C-O 121.428 0.633 . . . . 0.0 109.744 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 19.3 mt -72.67 -28.96 63.02 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.494 -0.754 . . . . 0.0 111.32 -178.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -61.89 -56.63 17.29 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 120.784 -1.198 . . . . 0.0 111.505 -178.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.91 -41.81 99.8 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.849 -1.3 . . . . 0.0 109.849 -179.324 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.427 HD12 ' O ' ' A' ' 1' ' ' PHE . 95.2 mt -59.5 -40.04 80.83 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.522 0 O-C-N 121.496 -1.002 . . . . 0.0 110.682 -179.58 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 63.5 t0 -55.35 -49.12 73.07 Favored 'General case' 0 C--N 1.303 -1.418 0 C-N-CA 118.809 -1.156 . . . . 0.0 108.975 -179.285 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 58.8 mttp -69.08 -40.38 78.48 Favored 'General case' 0 C--N 1.302 -1.467 0 C-N-CA 119.077 -1.049 . . . . 0.0 109.313 178.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.22 -37.13 83.09 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.379 -0.826 . . . . 0.0 110.015 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 57.7 tt0 -59.08 -40.21 84.53 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.089 -1.007 . . . . 0.0 109.29 -179.165 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 -61.93 -42.32 98.97 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.004 -1.06 . . . . 0.0 109.102 179.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 26.8 tp10 -60.7 -40.54 92.6 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.119 -0.988 . . . . 0.0 108.746 179.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.526 ' O ' ' N ' ' A' ' 16' ' ' HIS . 14.4 t60 -59.89 -45.95 90.89 Favored 'General case' 0 C--N 1.304 -1.408 0 C-N-CA 119.37 -0.932 . . . . 0.0 109.711 179.67 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -61.16 -41.49 96.87 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.463 -0.773 . . . . 0.0 110.426 -179.304 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.3 mtpp -61.33 -38.24 86.18 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.366 -0.834 . . . . 0.0 112.7 -178.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -134.36 -2.04 2.82 Favored 'General case' 0 N--CA 1.507 2.398 0 O-C-N 120.867 -1.146 . . . . 0.0 112.414 -176.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.526 ' N ' ' O ' ' A' ' 12' ' ' HIS . 81.3 m-70 53.85 40.31 31.39 Favored 'General case' 0 N--CA 1.494 1.775 0 N-CA-C 107.214 -1.402 . . . . 0.0 107.214 -177.373 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 89.9 p -60.68 156.33 17.03 Favored 'General case' 0 C--N 1.305 -1.357 0 C-N-CA 120.161 -0.616 . . . . 0.0 110.282 -178.496 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -75.01 161.51 29.4 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.347 -0.846 . . . . 0.0 109.116 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 33.8 p-90 -57.87 -30.15 65.6 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.11 -0.993 . . . . 0.0 110.262 -179.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -62.49 -40.14 95.75 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.868 -1.145 . . . . 0.0 110.324 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.82 -48.87 57.38 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.218 -0.926 . . . . 0.0 109.358 -179.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 79.3 mtm -60.22 -39.75 87.75 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.386 -0.821 . . . . 0.0 109.852 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -59.15 -46.54 88.1 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.172 -0.955 . . . . 0.0 109.044 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 73.1 m -69.69 -37.39 76.61 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.452 -0.78 . . . . 0.0 110.44 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -60.56 -40.58 92.18 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.23 -0.918 . . . . 0.0 110.612 -178.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -111.61 4.99 19.07 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.44 -0.787 . . . . 0.0 109.701 -179.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.433 ' N ' ' O ' ' A' ' 23' ' ' ALA . 82.1 m-20 54.58 42.69 31.13 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.508 -0.745 . . . . 0.0 109.823 179.505 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 69.8 mt -107.63 151.45 41.06 Favored Pre-proline 0 N--CA 1.501 2.091 0 N-CA-C 108.493 -0.929 . . . . 0.0 108.493 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_endo -60.07 162.04 17.66 Favored 'Trans proline' 0 N--CA 1.494 1.534 0 C-N-CA 121.781 1.654 . . . . 0.0 111.177 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_endo -56.67 -34.45 95.87 Favored 'Trans proline' 0 C--N 1.303 -1.817 0 C-N-CA 122.233 1.955 . . . . 0.0 111.379 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 55.0 t -54.45 -49.75 63.1 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.633 0 O-C-N 121.054 -1.029 . . . . 0.0 110.171 -179.287 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 93.3 t -66.85 -48.6 79.3 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.745 0 C-N-CA 118.614 -1.234 . . . . 0.0 109.7 -179.195 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.46 -43.27 90.86 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.383 -0.823 . . . . 0.0 110.187 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.7 mtpm? -61.25 -36.99 81.5 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 120.836 -1.165 . . . . 0.0 110.473 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.3 tm-20 -61.77 -38.13 86.89 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 119.025 -1.07 . . . . 0.0 110.371 -178.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 77.5 mt -59.85 -40.23 82.15 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 120.745 -1.222 . . . . 0.0 108.387 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 90.4 t -64.1 -38.33 82.16 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.576 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 178.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.403 ' O ' ' OE1' ' A' ' 44' ' ' GLN . . . -60.21 -33.38 72.17 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.488 -0.757 . . . . 0.0 109.851 179.696 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 25.5 m -80.2 -25.92 39.44 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.936 -1.103 . . . . 0.0 109.435 -179.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 44.7 t -81.11 103.98 11.28 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.384 -0.822 . . . . 0.0 109.694 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -60.96 -30.88 70.51 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.474 -0.766 . . . . 0.0 110.828 -179.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -71.15 -41.19 70.75 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.817 -1.177 . . . . 0.0 110.676 -178.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 90.5 m -85.12 -23.53 28.4 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.953 -1.092 . . . . 0.0 109.656 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.403 ' OE1' ' O ' ' A' ' 38' ' ' ALA . 58.6 tt0 . . . . . 0 N--CA 1.493 1.715 0 O-C-N 121.235 -0.916 . . . . 0.0 110.144 -179.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . 0.459 ' O ' HD12 ' B' ' 5' ' ' ILE . 62.5 m-85 . . . . . 0 N--CA 1.492 1.631 0 CA-C-O 121.531 0.681 . . . . 0.0 109.861 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 20.8 mt -72.9 -28.51 62.52 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.39 -0.819 . . . . 0.0 111.148 -178.328 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -62.21 -56.97 13.35 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 120.765 -1.21 . . . . 0.0 111.51 -178.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.76 -41.28 99.87 Favored Glycine 0 N--CA 1.493 2.477 0 N-CA-C 109.847 -1.301 . . . . 0.0 109.847 -179.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . 0.459 HD12 ' O ' ' B' ' 1' ' ' PHE . 93.6 mt -60.21 -39.94 82.15 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.598 0 O-C-N 121.387 -1.067 . . . . 0.0 110.633 -179.557 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 66.0 t0 -55.1 -49.15 72.43 Favored 'General case' 0 C--N 1.301 -1.538 0 C-N-CA 118.861 -1.136 . . . . 0.0 108.845 -179.195 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 58.6 mttp -69.59 -39.8 77.08 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.093 -1.005 . . . . 0.0 109.275 179.094 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.52 -37.36 82.66 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.456 -0.777 . . . . 0.0 109.905 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . 0.427 ' N ' ' O ' ' B' ' 5' ' ' ILE . 58.3 tt0 -59.06 -39.68 82.8 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.071 -1.018 . . . . 0.0 109.573 -179.007 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 78.4 tt0 -62.27 -42.91 99.75 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.152 -0.968 . . . . 0.0 108.827 179.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 26.4 tp10 -60.0 -40.43 89.2 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.253 -0.904 . . . . 0.0 108.867 179.253 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' HIS . . . . . 0.554 ' O ' ' N ' ' B' ' 16' ' ' HIS . 14.0 t60 -60.23 -45.6 92.67 Favored 'General case' 0 C--N 1.305 -1.365 0 C-N-CA 119.295 -0.962 . . . . 0.0 109.614 179.731 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.15 -41.98 97.73 Favored 'General case' 0 C--N 1.296 -1.738 0 O-C-N 121.414 -0.804 . . . . 0.0 110.313 -179.129 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 26.3 mtpp -61.09 -37.95 84.52 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.459 -0.776 . . . . 0.0 112.911 -178.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -134.63 -2.2 2.72 Favored 'General case' 0 N--CA 1.506 2.331 0 O-C-N 120.984 -1.073 . . . . 0.0 112.361 -176.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.554 ' N ' ' O ' ' B' ' 12' ' ' HIS . 81.7 m-70 54.09 40.46 31.67 Favored 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 107.14 -1.43 . . . . 0.0 107.14 -177.451 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 87.1 p -60.81 156.26 17.56 Favored 'General case' 0 C--N 1.303 -1.425 0 C-N-CA 119.966 -0.694 . . . . 0.0 110.314 -178.266 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 18.8 m120 -74.59 160.96 30.18 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.459 -0.775 . . . . 0.0 109.08 179.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 34.6 p-90 -57.4 -30.51 64.99 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.034 -1.041 . . . . 0.0 110.266 -179.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -61.92 -40.45 95.54 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.987 -1.071 . . . . 0.0 110.266 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.82 -48.75 57.83 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.176 -0.953 . . . . 0.0 109.591 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 79.0 mtm -60.55 -39.73 88.98 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.318 -0.864 . . . . 0.0 109.665 -179.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.435 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -59.45 -46.0 90.01 Favored 'General case' 0 N--CA 1.491 1.592 0 C-N-CA 119.328 -0.949 . . . . 0.0 109.114 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 73.1 m -69.81 -37.43 76.26 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.409 -0.807 . . . . 0.0 110.428 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -60.46 -40.33 90.84 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.431 -0.793 . . . . 0.0 110.767 -178.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -111.76 5.0 18.84 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.516 -0.74 . . . . 0.0 109.847 -179.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.435 ' N ' ' O ' ' B' ' 23' ' ' ALA . 81.1 m-20 54.52 42.32 31.4 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.508 -0.745 . . . . 0.0 109.859 179.602 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 68.4 mt -107.24 151.18 40.72 Favored Pre-proline 0 N--CA 1.502 2.152 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 179.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_endo -60.02 162.03 17.54 Favored 'Trans proline' 0 N--CA 1.493 1.487 0 C-N-CA 121.862 1.708 . . . . 0.0 111.185 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_endo -56.39 -34.58 94.74 Favored 'Trans proline' 0 C--N 1.304 -1.777 0 C-N-CA 122.243 1.962 . . . . 0.0 111.43 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 55.7 t -54.41 -49.36 65.45 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.646 0 O-C-N 121.192 -0.943 . . . . 0.0 110.057 -179.201 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 92.6 t -67.39 -48.74 76.56 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.756 0 C-N-CA 118.633 -1.227 . . . . 0.0 109.644 -179.196 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.52 -42.92 91.48 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.383 -0.823 . . . . 0.0 110.278 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 10.7 mtpm? -61.41 -36.96 81.76 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.864 -1.148 . . . . 0.0 110.461 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 14.7 tm-20 -61.58 -38.62 88.19 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 120.952 -1.092 . . . . 0.0 110.349 -178.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 79.2 mt -59.25 -40.59 81.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 120.683 -1.261 . . . . 0.0 108.248 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 88.9 t -63.94 -38.64 82.91 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.587 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 178.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . 0.553 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -59.96 -33.48 71.98 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.551 -0.718 . . . . 0.0 109.798 179.607 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 25.4 m -80.18 -25.99 39.47 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.981 -1.074 . . . . 0.0 109.395 -179.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 47.4 t -81.12 104.51 11.65 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.335 -0.853 . . . . 0.0 109.667 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -61.37 -30.66 70.67 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.384 -0.822 . . . . 0.0 110.825 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 65.0 mttm -71.1 -40.97 71.19 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.647 -1.283 . . . . 0.0 110.76 -178.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 89.8 m -85.36 -23.7 27.91 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.922 -1.112 . . . . 0.0 109.645 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . 0.553 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 7.1 tt0 . . . . . 0 N--CA 1.492 1.666 0 O-C-N 121.124 -0.985 . . . . 0.0 110.014 -179.383 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 . . . . . 0 N--CA 1.487 1.414 0 CA-C-O 121.599 0.714 . . . . 0.0 109.686 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 33.7 mt -70.48 -38.5 74.4 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.466 -0.771 . . . . 0.0 111.367 -178.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -63.27 -46.96 84.37 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.744 -1.222 . . . . 0.0 110.274 -178.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.13 -47.53 72.14 Favored Glycine 0 N--CA 1.492 2.418 0 N-CA-C 109.651 -1.379 . . . . 0.0 109.651 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.547 HD11 HG11 ' B' ' 31' ' ' VAL . 81.6 mt -59.4 -39.78 79.96 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.71 0 O-C-N 121.61 -0.936 . . . . 0.0 111.14 -179.609 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -53.97 -46.7 71.73 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.723 -1.235 . . . . 0.0 109.148 -179.174 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -69.51 -43.23 73.5 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 120.884 -1.135 . . . . 0.0 109.726 178.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.31 -35.32 79.2 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.16 -0.963 . . . . 0.0 109.95 179.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -59.46 -39.66 84.35 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.142 -0.974 . . . . 0.0 109.256 -179.625 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -60.96 -40.86 94.94 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.199 -0.938 . . . . 0.0 109.051 179.025 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.4 tm-20 -61.71 -42.23 98.67 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.365 -0.834 . . . . 0.0 109.251 179.518 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.552 ' O ' ' N ' ' A' ' 16' ' ' HIS . 22.2 t60 -60.45 -45.51 93.43 Favored 'General case' 0 N--CA 1.486 1.362 0 O-C-N 121.086 -1.009 . . . . 0.0 109.747 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.13 -44.13 95.15 Favored 'General case' 0 C--N 1.298 -1.672 0 O-C-N 121.221 -0.924 . . . . 0.0 110.327 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.7 mtpp -62.11 -32.87 73.49 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.2 -0.938 . . . . 0.0 112.953 -178.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 27.4 m-85 -139.21 -1.65 1.72 Allowed 'General case' 0 N--CA 1.508 2.429 0 O-C-N 120.624 -1.298 . . . . 0.0 112.464 -177.105 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.552 ' N ' ' O ' ' A' ' 12' ' ' HIS . 89.7 m-70 54.76 39.71 31.52 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.498 -1.377 . . . . 0.0 107.317 -178.026 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 95.6 p -60.2 156.49 15.23 Favored 'General case' 0 C--N 1.303 -1.441 0 CA-C-O 121.39 0.614 . . . . 0.0 110.732 -178.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -74.1 155.88 38.0 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 179.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 39.5 p-90 -56.2 -29.83 61.46 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.958 -1.089 . . . . 0.0 109.561 -179.484 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 55.9 mtp180 -62.86 -40.23 96.85 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.834 -1.166 . . . . 0.0 109.868 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.21 -48.59 61.59 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.172 -0.955 . . . . 0.0 108.964 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 77.1 mtm -59.97 -41.46 92.02 Favored 'General case' 0 N--CA 1.49 1.53 0 C-N-CA 119.43 -0.908 . . . . 0.0 109.237 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -58.11 -46.0 86.31 Favored 'General case' 0 C--N 1.297 -1.701 0 C-N-CA 118.864 -1.134 . . . . 0.0 109.56 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 18.6 t -70.65 -38.02 73.78 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.345 -0.847 . . . . 0.0 111.212 -179.313 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -59.64 -43.05 93.99 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.075 -1.016 . . . . 0.0 109.907 -178.46 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -107.25 1.22 23.76 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.6 -0.687 . . . . 0.0 110.378 -179.493 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.453 ' N ' ' O ' ' A' ' 23' ' ' ALA . 66.9 t30 55.45 52.14 11.74 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.152 -0.967 . . . . 0.0 110.138 179.225 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 90.4 mt -118.61 150.59 48.46 Favored Pre-proline 0 N--CA 1.498 1.969 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 179.567 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_endo -59.97 149.27 85.08 Favored 'Trans proline' 0 N--CA 1.493 1.462 0 C-N-CA 121.934 1.756 . . . . 0.0 112.053 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.502 ' O ' ' N ' ' A' ' 34' ' ' LYS . 31.6 Cg_exo -43.24 -35.78 5.54 Favored 'Trans proline' 0 N--CA 1.486 1.047 0 C-N-CA 121.767 1.645 . . . . 0.0 112.029 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.59 HG11 HD11 ' B' ' 5' ' ' ILE . 88.8 t -52.8 -50.33 43.18 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.863 0 O-C-N 121.302 -0.874 . . . . 0.0 110.146 -178.099 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 47.4 t -67.1 -49.76 70.2 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.669 0 C-N-CA 118.578 -1.249 . . . . 0.0 109.495 -178.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.71 -41.87 91.81 Favored 'General case' 0 C--N 1.303 -1.448 0 C-N-CA 119.631 -0.828 . . . . 0.0 109.798 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.502 ' N ' ' O ' ' A' ' 30' ' ' PRO . 1.9 mmmp? -61.77 -38.11 86.82 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.005 -1.059 . . . . 0.0 110.233 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.6 tm-20 -61.15 -38.32 86.02 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 120.895 -1.128 . . . . 0.0 109.337 -178.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 81.2 mt -59.88 -39.88 81.25 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.342 0 O-C-N 121.092 -1.005 . . . . 0.0 109.678 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 71.2 t -63.43 -39.92 87.11 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.465 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 179.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.401 ' O ' ' OE1' ' A' ' 44' ' ' GLN . . . -61.1 -30.61 70.46 Favored 'General case' 0 C--N 1.301 -1.522 0 CA-C-O 121.378 0.609 . . . . 0.0 110.288 179.41 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.1 m -80.85 -20.5 42.24 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 120.824 -1.173 . . . . 0.0 109.965 -178.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 43.7 t -85.03 107.12 17.0 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.365 -0.834 . . . . 0.0 109.212 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -60.05 -32.59 71.07 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.348 -0.845 . . . . 0.0 110.259 -179.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 58.5 mttm -70.9 -42.91 69.35 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 120.989 -1.069 . . . . 0.0 110.935 -178.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 94.0 m -86.34 -23.68 26.13 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.447 -1.408 . . . . 0.0 109.754 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.401 ' OE1' ' O ' ' A' ' 38' ' ' ALA . 13.9 tt0 . . . . . 0 C--N 1.3 -1.574 0 O-C-N 121.157 -0.965 . . . . 0.0 109.193 -179.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 121.319 0.581 . . . . 0.0 109.942 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 34.7 mt -70.54 -37.6 74.07 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.367 -0.833 . . . . 0.0 111.583 -178.551 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -63.94 -46.32 85.25 Favored 'General case' 0 C--N 1.298 -1.632 0 O-C-N 120.838 -1.164 . . . . 0.0 110.371 -178.517 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.49 -47.32 63.39 Favored Glycine 0 N--CA 1.492 2.418 0 N-CA-C 109.469 -1.452 . . . . 0.0 109.469 -179.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . 0.59 HD11 HG11 ' A' ' 31' ' ' VAL . 82.3 mt -59.01 -39.35 78.12 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.559 0 O-C-N 121.557 -0.967 . . . . 0.0 110.331 179.791 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 79.5 m-20 -54.2 -47.52 72.0 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 118.424 -1.31 . . . . 0.0 108.951 -179.108 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -69.36 -41.69 76.24 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.904 -1.122 . . . . 0.0 110.051 179.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.7 -35.44 77.19 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.067 -1.021 . . . . 0.0 109.582 179.484 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . 0.409 ' N ' ' O ' ' B' ' 5' ' ' ILE . 55.3 tt0 -57.83 -40.67 80.59 Favored 'General case' 0 C--N 1.302 -1.458 0 C-N-CA 119.171 -1.012 . . . . 0.0 109.237 -179.581 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -60.16 -42.0 93.97 Favored 'General case' 0 N--CA 1.491 1.575 0 C-N-CA 119.602 -0.839 . . . . 0.0 109.154 178.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -60.51 -41.36 94.18 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 120.774 -1.204 . . . . 0.0 109.215 179.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' HIS . . . . . 0.536 ' O ' ' N ' ' B' ' 16' ' ' HIS . 20.6 t60 -60.9 -46.22 91.5 Favored 'General case' 0 C--N 1.3 -1.55 0 C-N-CA 119.404 -0.919 . . . . 0.0 110.083 -179.673 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -60.22 -41.14 92.42 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.229 -0.919 . . . . 0.0 110.329 -179.309 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . 0.403 ' HB3' ' CE2' ' B' ' 15' ' ' TYR . 26.1 mtpp -64.34 -33.03 74.91 Favored 'General case' 0 C--N 1.297 -1.682 0 O-C-N 121.303 -0.873 . . . . 0.0 112.859 -178.55 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' TYR . . . . . 0.403 ' CE2' ' HB3' ' B' ' 14' ' ' LYS . 31.7 m-85 -139.62 -1.92 1.61 Allowed 'General case' 0 N--CA 1.508 2.46 0 O-C-N 120.764 -1.21 . . . . 0.0 112.383 -176.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.536 ' N ' ' O ' ' B' ' 12' ' ' HIS . 90.0 m-70 55.31 40.81 31.6 Favored 'General case' 0 N--CA 1.491 1.582 0 N-CA-C 106.932 -1.507 . . . . 0.0 106.932 -178.076 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 92.8 p -61.08 155.35 20.62 Favored 'General case' 0 N--CA 1.492 1.664 0 CA-C-O 121.581 0.705 . . . . 0.0 110.576 -178.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -73.21 157.57 36.89 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.484 -0.76 . . . . 0.0 108.981 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 46.0 p-90 -57.31 -29.89 64.29 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.837 -1.164 . . . . 0.0 109.535 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 55.6 mtp180 -61.97 -40.44 95.6 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.015 -1.053 . . . . 0.0 109.829 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.44 -48.49 60.77 Favored 'General case' 0 C--N 1.302 -1.493 0 C-N-CA 119.253 -0.979 . . . . 0.0 109.282 179.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 78.5 mtm -60.44 -40.84 92.56 Favored 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 119.441 -0.903 . . . . 0.0 109.746 -179.188 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -59.05 -45.98 89.4 Favored 'General case' 0 C--N 1.295 -1.797 0 O-C-N 120.992 -1.067 . . . . 0.0 109.539 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 23.2 t -70.38 -38.84 74.8 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.181 -0.95 . . . . 0.0 110.685 -179.534 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -58.91 -42.27 89.25 Favored 'General case' 0 N--CA 1.494 1.741 0 C-N-CA 119.468 -0.893 . . . . 0.0 110.334 -178.356 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -107.89 1.1 22.47 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.422 -0.799 . . . . 0.0 109.997 -179.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.444 ' N ' ' O ' ' B' ' 23' ' ' ALA . 67.1 t30 55.8 53.12 9.79 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.126 -0.983 . . . . 0.0 110.083 179.74 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 86.6 mt -119.37 151.42 51.24 Favored Pre-proline 0 N--CA 1.501 2.081 0 N-CA-C 108.188 -1.041 . . . . 0.0 108.188 179.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_endo -60.69 150.71 80.96 Favored 'Trans proline' 0 N--CA 1.493 1.447 0 C-N-CA 121.781 1.654 . . . . 0.0 111.933 -179.353 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' PRO . . . . . 0.5 ' O ' ' N ' ' B' ' 34' ' ' LYS . 34.0 Cg_exo -43.81 -35.7 7.1 Favored 'Trans proline' 0 C--N 1.312 -1.369 0 C-N-CA 121.861 1.707 . . . . 0.0 111.722 179.612 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.547 HG11 HD11 ' A' ' 5' ' ' ILE . 86.0 t -53.02 -50.67 43.73 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.731 0 O-C-N 121.142 -0.974 . . . . 0.0 110.454 -178.072 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 46.5 t -67.25 -49.3 73.65 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.642 0 C-N-CA 118.947 -1.101 . . . . 0.0 109.118 -179.131 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.86 -42.86 89.87 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.029 -1.044 . . . . 0.0 110.15 179.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.5 ' N ' ' O ' ' B' ' 30' ' ' PRO . 2.0 mmmp? -61.56 -38.76 88.64 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 120.987 -1.07 . . . . 0.0 110.207 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 14.6 tm-20 -60.19 -38.32 82.9 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 119.07 -1.052 . . . . 0.0 109.115 -179.036 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 86.3 mt -59.88 -40.27 82.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 120.965 -1.085 . . . . 0.0 109.698 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 77.9 t -62.99 -39.44 85.21 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.658 0 O-C-N 120.93 -1.106 . . . . 0.0 108.673 179.546 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . 0.552 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -61.81 -32.1 72.38 Favored 'General case' 0 N--CA 1.49 1.551 0 CA-C-O 121.404 0.621 . . . . 0.0 109.591 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 6.3 m -78.09 -23.98 47.77 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.153 -0.967 . . . . 0.0 110.356 -179.01 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 40.4 t -82.94 107.3 15.45 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.1 -1.0 . . . . 0.0 109.841 179.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -59.97 -31.31 69.77 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.388 -0.82 . . . . 0.0 110.798 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 62.7 mttm -72.16 -40.75 67.75 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 120.898 -1.126 . . . . 0.0 110.776 -178.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 84.3 m -89.0 -23.47 22.61 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 120.774 -1.203 . . . . 0.0 109.333 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . 0.552 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 51.0 tt0 . . . . . 0 C--N 1.3 -1.55 0 O-C-N 121.333 -0.854 . . . . 0.0 109.645 -179.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 . . . . . 0 N--CA 1.491 1.586 0 CA-C-O 121.358 0.599 . . . . 0.0 110.173 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 33.1 mt -72.47 -43.46 63.68 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.269 -0.894 . . . . 0.0 111.463 -177.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -66.9 -48.26 69.26 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.989 -1.069 . . . . 0.0 111.06 -178.126 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.75 -47.34 90.95 Favored Glycine 0 N--CA 1.494 2.5 0 N-CA-C 109.892 -1.283 . . . . 0.0 109.892 -179.294 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.659 HD11 HG11 ' B' ' 31' ' ' VAL . 87.1 mt -59.24 -39.87 79.82 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.511 0 O-C-N 121.345 -1.091 . . . . 0.0 110.116 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 -53.59 -43.6 68.71 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 120.81 -1.181 . . . . 0.0 109.097 -179.31 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -69.7 -45.28 68.61 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.965 -1.084 . . . . 0.0 108.985 178.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.33 -33.83 76.61 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.39 -0.819 . . . . 0.0 109.304 179.418 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.492 ' N ' ' O ' ' A' ' 5' ' ' ILE . 53.0 tt0 -58.71 -40.08 82.66 Favored 'General case' 0 C--N 1.302 -1.485 0 C-N-CA 119.367 -0.933 . . . . 0.0 109.158 -179.72 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 34.4 tp10 -62.34 -42.13 99.14 Favored 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 119.281 -0.968 . . . . 0.0 108.734 179.141 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 35.6 tp10 -60.49 -41.84 95.08 Favored 'General case' 0 N--CA 1.492 1.643 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 179.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.545 ' O ' ' N ' ' A' ' 16' ' ' HIS . 15.0 t60 -60.88 -47.8 84.72 Favored 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 119.705 -0.798 . . . . 0.0 109.909 179.635 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 32.9 tp10 -60.41 -41.35 93.73 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.287 -0.883 . . . . 0.0 110.029 -179.024 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 56.5 mtpt -60.73 -35.81 77.29 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.326 -0.859 . . . . 0.0 112.753 -178.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -136.38 -3.86 2.13 Favored 'General case' 0 N--CA 1.508 2.473 0 O-C-N 120.772 -1.205 . . . . 0.0 112.759 -177.29 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.545 ' N ' ' O ' ' A' ' 12' ' ' HIS . 87.5 m-70 54.54 43.61 30.01 Favored 'General case' 0 N--CA 1.498 1.955 0 N-CA-C 107.421 -1.326 . . . . 0.0 107.421 -177.432 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 87.3 p -64.95 155.31 34.85 Favored 'General case' 0 N--CA 1.486 1.331 0 CA-C-O 121.611 0.719 . . . . 0.0 110.626 -178.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -71.15 159.13 35.24 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.22 -0.925 . . . . 0.0 108.679 179.338 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 37.8 p-90 -56.91 -29.83 63.4 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.005 -1.059 . . . . 0.0 111.214 -178.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 62.1 mtp180 -61.56 -40.8 96.02 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.889 -1.132 . . . . 0.0 110.334 -179.635 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.54 -49.06 65.07 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.155 -0.965 . . . . 0.0 109.389 -179.602 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 78.3 mtm -60.23 -41.13 92.45 Favored 'General case' 0 C--N 1.303 -1.452 0 C-N-CA 119.588 -0.845 . . . . 0.0 109.386 179.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.51 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -58.76 -47.07 85.97 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.413 -0.804 . . . . 0.0 108.964 179.799 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 35.7 t -69.71 -38.22 76.84 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.594 -0.691 . . . . 0.0 110.464 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -60.59 -40.07 90.4 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.23 -0.919 . . . . 0.0 110.014 -179.012 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -108.93 -0.06 19.88 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.435 -0.79 . . . . 0.0 109.871 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.51 ' N ' ' O ' ' A' ' 23' ' ' ALA . 18.4 t-20 56.21 47.44 19.38 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.277 -0.889 . . . . 0.0 109.264 -179.802 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 83.4 mt -113.64 153.04 45.93 Favored Pre-proline 0 N--CA 1.501 2.086 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -60.13 163.27 14.69 Favored 'Trans proline' 0 C--N 1.314 -1.261 0 C-N-CA 121.449 1.433 . . . . 0.0 110.819 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -58.96 -32.23 97.1 Favored 'Trans proline' 0 C--N 1.296 -2.2 0 C-N-CA 122.223 1.949 . . . . 0.0 111.743 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.613 HG11 HD11 ' B' ' 5' ' ' ILE . 49.3 t -56.56 -47.71 81.57 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.693 0 O-C-N 120.715 -1.241 . . . . 0.0 109.858 -178.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 57.8 t -67.46 -50.13 64.76 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.688 0 C-N-CA 118.852 -1.139 . . . . 0.0 108.976 -179.326 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.39 -46.15 84.55 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.328 -0.857 . . . . 0.0 110.301 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.2 mtpm? -60.88 -36.1 78.34 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.776 -1.203 . . . . 0.0 109.88 179.604 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -60.87 -38.66 86.35 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 119.062 -1.055 . . . . 0.0 110.358 -178.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 48.3 mt -59.86 -39.97 81.48 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 120.921 -1.112 . . . . 0.0 108.335 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 95.5 t -61.18 -39.92 84.12 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 178.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.79 -32.05 70.26 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.54 -0.725 . . . . 0.0 109.775 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.9 m -78.88 -29.1 44.21 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.194 -0.941 . . . . 0.0 109.229 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 51.2 t -81.19 102.09 10.1 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.21 -0.931 . . . . 0.0 109.447 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -60.89 -31.24 70.73 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.213 -0.929 . . . . 0.0 110.213 -179.551 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp -67.86 -40.76 83.6 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.283 -0.886 . . . . 0.0 110.401 -178.496 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 88.4 m -86.67 -28.72 22.98 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.757 -1.215 . . . . 0.0 110.153 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 47.2 tt0 . . . . . 0 N--CA 1.495 1.804 0 O-C-N 121.002 -1.061 . . . . 0.0 110.867 -178.428 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 . . . . . 0 N--CA 1.49 1.561 0 CA-C-O 121.379 0.609 . . . . 0.0 110.169 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 30.7 mt -72.27 -43.84 63.7 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.323 -0.86 . . . . 0.0 111.558 -178.032 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -66.65 -47.73 71.61 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.837 -1.164 . . . . 0.0 111.112 -178.101 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.33 -47.27 90.82 Favored Glycine 0 N--CA 1.492 2.419 0 N-CA-C 109.918 -1.273 . . . . 0.0 109.918 -179.247 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . 0.613 HD11 HG11 ' A' ' 31' ' ' VAL . 86.8 mt -59.55 -39.05 78.34 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.516 0 O-C-N 121.595 -0.944 . . . . 0.0 110.209 -179.775 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -53.88 -43.44 69.61 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 120.682 -1.261 . . . . 0.0 109.243 -179.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -69.79 -45.1 68.72 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.072 -1.017 . . . . 0.0 108.983 179.124 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.3 -34.38 77.85 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.444 -0.785 . . . . 0.0 109.14 179.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -58.52 -40.3 82.51 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.277 -0.89 . . . . 0.0 109.075 -179.683 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 36.0 tp10 -62.06 -42.36 99.11 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.036 -1.04 . . . . 0.0 108.857 178.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 33.7 tp10 -60.77 -41.52 95.66 Favored 'General case' 0 N--CA 1.491 1.576 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 179.488 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' HIS . . . . . 0.56 ' O ' ' N ' ' B' ' 16' ' ' HIS . 14.9 t60 -60.82 -48.28 82.54 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.294 -0.879 . . . . 0.0 109.988 179.379 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 33.4 tp10 -60.11 -41.63 92.98 Favored 'General case' 0 C--N 1.297 -1.715 0 O-C-N 121.252 -0.905 . . . . 0.0 110.316 -178.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -60.9 -34.71 75.09 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.423 -0.798 . . . . 0.0 112.571 -178.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -136.95 -4.02 1.98 Allowed 'General case' 0 N--CA 1.512 2.636 0 O-C-N 120.721 -1.237 . . . . 0.0 112.819 -177.157 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.56 ' N ' ' O ' ' B' ' 12' ' ' HIS . 87.8 m-70 54.37 43.39 30.53 Favored 'General case' 0 N--CA 1.497 1.904 0 N-CA-C 107.529 -1.286 . . . . 0.0 107.529 -177.421 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 92.2 p -64.47 155.24 33.37 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.624 -0.672 . . . . 0.0 110.536 -178.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -71.61 159.56 34.21 Favored 'General case' 0 N--CA 1.489 1.512 0 N-CA-C 108.766 -0.828 . . . . 0.0 108.766 179.211 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 34.7 p-90 -56.98 -29.92 63.68 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.023 -1.048 . . . . 0.0 110.929 -178.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 61.4 mtp180 -61.68 -41.4 97.52 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.619 -1.301 . . . . 0.0 110.393 -179.593 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.83 -49.24 66.38 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.211 -0.931 . . . . 0.0 109.279 -179.38 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 78.4 mtm -60.1 -40.92 91.32 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 119.662 -0.815 . . . . 0.0 109.524 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.524 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -58.88 -47.04 86.33 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.46 -0.775 . . . . 0.0 109.174 179.738 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 31.9 t -69.85 -38.28 76.4 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.459 -0.775 . . . . 0.0 110.436 179.683 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -60.06 -40.51 89.72 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.016 -1.053 . . . . 0.0 109.961 -179.056 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -109.05 -0.1 19.65 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.451 -0.781 . . . . 0.0 109.947 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.524 ' N ' ' O ' ' B' ' 23' ' ' ALA . 17.6 t-20 56.24 47.03 20.15 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.312 -0.867 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 83.6 mt -112.97 153.4 45.26 Favored Pre-proline 0 N--CA 1.502 2.168 0 N-CA-C 108.361 -0.977 . . . . 0.0 108.361 179.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -60.21 163.0 15.43 Favored 'Trans proline' 0 C--N 1.314 -1.268 0 C-N-CA 121.545 1.496 . . . . 0.0 110.991 179.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -58.84 -32.2 96.77 Favored 'Trans proline' 0 C--N 1.3 -2.0 0 C-N-CA 122.171 1.914 . . . . 0.0 111.563 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.659 HG11 HD11 ' A' ' 5' ' ' ILE . 61.9 t -56.47 -48.29 80.39 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.716 0 O-C-N 121.035 -1.041 . . . . 0.0 109.795 -178.611 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 60.3 t -67.2 -49.96 67.7 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.711 0 C-N-CA 118.786 -1.165 . . . . 0.0 109.052 -179.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.15 -45.92 86.32 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.316 -0.865 . . . . 0.0 110.124 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 10.3 mtpm? -61.15 -36.19 79.12 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.767 -1.208 . . . . 0.0 109.849 179.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.0 tm-20 -60.86 -39.05 87.7 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.005 -1.06 . . . . 0.0 110.065 -178.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 49.3 mt -59.12 -40.51 81.12 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 120.795 -1.191 . . . . 0.0 108.65 179.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 84.3 t -61.37 -39.84 84.15 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 N-CA-C 108.081 -1.081 . . . . 0.0 108.081 179.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . 0.535 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -59.89 -32.48 70.78 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.555 -0.716 . . . . 0.0 109.501 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 49.6 m -78.39 -28.8 47.0 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.14 -0.975 . . . . 0.0 109.373 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 53.1 t -81.42 102.15 10.32 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.295 -0.878 . . . . 0.0 109.433 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -61.14 -31.16 70.88 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.342 -0.849 . . . . 0.0 110.23 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 26.9 mtpp -68.35 -39.96 81.66 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.081 -1.012 . . . . 0.0 110.518 -178.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 88.9 m -86.95 -29.06 22.34 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 120.931 -1.105 . . . . 0.0 110.252 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . 0.535 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 6.3 tt0 . . . . . 0 N--CA 1.496 1.851 0 O-C-N 121.049 -1.032 . . . . 0.0 111.003 -178.618 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . 0.413 ' O ' HD12 ' A' ' 5' ' ' ILE . 77.4 m-85 . . . . . 0 N--CA 1.491 1.613 0 CA-C-O 121.291 0.567 . . . . 0.0 110.253 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 14.6 mt -70.76 -37.95 73.43 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.372 -0.83 . . . . 0.0 111.747 -177.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 85.6 m-20 -64.33 -45.5 87.57 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.612 -1.305 . . . . 0.0 111.643 -177.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.13 -44.82 59.11 Favored Glycine 0 N--CA 1.492 2.393 0 N-CA-C 109.768 -1.333 . . . . 0.0 109.768 -179.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.491 HD11 HG11 ' B' ' 31' ' ' VAL . 94.7 mt -60.05 -40.28 82.77 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.773 0 O-C-N 121.628 -0.925 . . . . 0.0 110.888 -179.371 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -57.16 -47.97 79.87 Favored 'General case' 0 C--N 1.3 -1.571 0 C-N-CA 118.549 -1.26 . . . . 0.0 108.836 -179.452 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -68.8 -43.56 75.36 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.371 -0.831 . . . . 0.0 109.037 178.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.1 -36.09 83.21 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.353 -0.842 . . . . 0.0 109.911 179.327 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.464 ' N ' ' O ' ' A' ' 5' ' ' ILE . 62.0 tt0 -57.9 -40.81 81.22 Favored 'General case' 0 C--N 1.301 -1.523 0 C-N-CA 119.091 -1.044 . . . . 0.0 108.988 -179.022 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -60.26 -41.91 94.25 Favored 'General case' 0 C--N 1.297 -1.68 0 O-C-N 120.81 -1.181 . . . . 0.0 109.168 179.201 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -60.04 -40.37 89.17 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.303 -0.873 . . . . 0.0 108.729 179.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.551 ' O ' ' N ' ' A' ' 16' ' ' HIS . 15.3 t60 -61.67 -45.38 94.26 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.029 -1.044 . . . . 0.0 110.313 179.546 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -61.38 -43.79 98.26 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.041 -1.037 . . . . 0.0 110.96 -179.145 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 54.5 mtpt -61.42 -28.99 69.66 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.577 -0.702 . . . . 0.0 112.635 -178.331 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -139.77 -9.13 1.21 Allowed 'General case' 0 N--CA 1.506 2.35 0 O-C-N 120.818 -1.176 . . . . 0.0 112.154 -177.077 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.551 ' N ' ' O ' ' A' ' 12' ' ' HIS . 92.6 m-70 55.71 42.3 29.45 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.403 -1.436 . . . . 0.0 107.244 -177.707 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 84.8 p -65.04 160.26 21.35 Favored 'General case' 0 N--CA 1.484 1.23 0 O-C-N 121.351 -0.843 . . . . 0.0 110.375 -178.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -74.17 158.02 34.9 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.38 -0.825 . . . . 0.0 109.36 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 28.1 p-90 -57.14 -29.04 63.26 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.137 -0.977 . . . . 0.0 109.778 -179.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 77.6 mtm180 -64.24 -39.89 94.89 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.92 -1.113 . . . . 0.0 109.848 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.56 -50.0 60.56 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.642 -0.661 . . . . 0.0 109.396 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 79.0 mtm -60.67 -40.14 90.99 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.292 -0.88 . . . . 0.0 110.399 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -59.12 -44.42 92.01 Favored 'General case' 0 C--N 1.301 -1.538 0 C-N-CA 119.365 -0.934 . . . . 0.0 109.305 -179.282 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 13.7 m -71.5 -36.99 71.3 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.408 -0.807 . . . . 0.0 110.211 179.395 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -60.65 -39.99 90.4 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.321 -0.862 . . . . 0.0 110.316 -178.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -110.74 0.01 17.22 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.623 -0.673 . . . . 0.0 110.305 -179.259 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.442 ' N ' ' O ' ' A' ' 23' ' ' ALA . 11.3 m120 55.85 49.61 15.7 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.263 -0.898 . . . . 0.0 109.981 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 86.9 mt -116.76 153.49 49.24 Favored Pre-proline 0 N--CA 1.504 2.242 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -59.46 161.43 17.29 Favored 'Trans proline' 0 N--CA 1.492 1.418 0 C-N-CA 121.68 1.587 . . . . 0.0 111.496 179.311 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_endo -56.62 -32.1 89.26 Favored 'Trans proline' 0 C--N 1.304 -1.815 0 C-N-CA 122.589 2.193 . . . . 0.0 111.52 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.545 HG11 HD11 ' B' ' 5' ' ' ILE . 46.6 t -58.26 -49.65 81.09 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.843 0 O-C-N 120.872 -1.142 . . . . 0.0 110.1 -178.451 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 59.7 t -66.28 -47.26 84.88 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.739 0 C-N-CA 118.646 -1.221 . . . . 0.0 109.203 -178.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.48 -48.13 76.37 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.158 -0.964 . . . . 0.0 109.984 179.648 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.1 mtpm? -61.45 -35.42 77.56 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.089 -1.007 . . . . 0.0 110.726 -179.517 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.8 tm-20 -60.25 -38.39 83.3 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 120.979 -1.076 . . . . 0.0 109.466 -178.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 72.0 mt -60.46 -39.68 81.89 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 120.929 -1.107 . . . . 0.0 108.668 179.165 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 94.8 t -62.96 -38.22 81.39 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.61 0 O-C-N 121.492 -0.755 . . . . 0.0 108.994 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.26 -31.62 70.39 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.507 -0.746 . . . . 0.0 109.708 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.4 m -81.56 -23.06 37.4 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.149 -0.969 . . . . 0.0 110.875 -178.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 43.7 t -82.78 104.27 12.89 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.088 -1.008 . . . . 0.0 108.956 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -60.24 -30.38 69.38 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.398 -0.814 . . . . 0.0 110.405 -179.397 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -71.26 -40.17 71.13 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.164 -0.96 . . . . 0.0 111.404 -178.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 90.0 m -86.77 -17.97 32.23 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.001 -1.062 . . . . 0.0 110.138 -179.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 . . . . . 0 N--CA 1.493 1.676 0 O-C-N 120.954 -1.091 . . . . 0.0 108.786 -179.777 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . 0.402 ' O ' HD12 ' B' ' 5' ' ' ILE . 74.2 m-85 . . . . . 0 N--CA 1.49 1.559 0 CA-C-O 121.311 0.577 . . . . 0.0 110.011 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 13.8 mt -74.05 -35.66 64.3 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.543 -0.723 . . . . 0.0 111.96 -178.054 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -66.19 -44.07 85.01 Favored 'General case' 0 C--N 1.297 -1.686 0 O-C-N 120.828 -1.17 . . . . 0.0 111.046 -177.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.92 -44.72 45.61 Favored Glycine 0 N--CA 1.488 2.151 0 N-CA-C 109.385 -1.486 . . . . 0.0 109.385 -179.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . 0.545 HD11 HG11 ' A' ' 31' ' ' VAL . 94.3 mt -60.07 -40.03 82.1 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.733 0 O-C-N 121.618 -0.93 . . . . 0.0 110.699 -179.487 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -56.39 -48.46 76.84 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 120.524 -1.36 . . . . 0.0 109.079 -179.419 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 37.1 ttmt -68.11 -43.74 77.72 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.066 -1.021 . . . . 0.0 108.914 178.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.81 -36.86 85.71 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.312 -0.868 . . . . 0.0 109.828 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 60.8 tt0 -56.73 -40.54 75.89 Favored 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 119.631 -0.828 . . . . 0.0 109.375 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.73 -42.89 98.21 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.037 -1.039 . . . . 0.0 109.165 179.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -60.18 -39.89 88.05 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' HIS . . . . . 0.552 ' O ' ' N ' ' B' ' 16' ' ' HIS . 15.1 t60 -62.56 -44.66 95.79 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.141 -0.974 . . . . 0.0 109.852 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -62.08 -44.23 97.13 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.167 -0.958 . . . . 0.0 110.352 -179.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 57.0 mtpt -60.14 -30.17 69.12 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.418 -0.801 . . . . 0.0 113.101 -177.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -139.59 -8.51 1.26 Allowed 'General case' 0 N--CA 1.507 2.419 0 O-C-N 120.91 -1.119 . . . . 0.0 112.248 -176.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.552 ' N ' ' O ' ' B' ' 12' ' ' HIS . 92.7 m-70 55.22 43.06 29.88 Favored 'General case' 0 N--CA 1.497 1.924 0 N-CA-C 107.452 -1.314 . . . . 0.0 107.452 -177.169 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 84.7 p -64.55 159.46 21.65 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 121.48 -0.762 . . . . 0.0 110.267 -178.664 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -73.62 157.24 37.0 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.461 -0.774 . . . . 0.0 109.543 179.389 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 24.4 p-90 -56.17 -30.09 61.74 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.053 -1.029 . . . . 0.0 110.525 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 81.7 mtm180 -63.83 -40.3 96.27 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.855 -1.153 . . . . 0.0 109.618 179.688 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.17 -49.47 64.56 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.41 -0.806 . . . . 0.0 109.751 -179.473 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 77.9 mtm -60.18 -39.53 86.81 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.483 -0.761 . . . . 0.0 109.689 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.502 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -59.51 -46.76 87.91 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.248 -0.908 . . . . 0.0 109.619 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 15.2 m -69.97 -37.21 75.7 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.095 -1.003 . . . . 0.0 109.838 179.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -60.64 -40.83 93.41 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.372 -0.83 . . . . 0.0 110.548 -178.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -110.08 -0.14 18.13 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 121.425 -0.797 . . . . 0.0 109.851 179.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.502 ' N ' ' O ' ' B' ' 23' ' ' ALA . 12.7 m120 56.25 49.09 15.95 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.913 -1.117 . . . . 0.0 109.547 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 88.6 mt -115.91 152.74 47.88 Favored Pre-proline 0 N--CA 1.493 1.714 0 N-CA-C 107.873 -1.158 . . . . 0.0 107.873 179.424 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -59.52 162.79 14.15 Favored 'Trans proline' 0 C--N 1.311 -1.424 0 C-N-CA 121.536 1.491 . . . . 0.0 111.554 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -57.9 -32.06 94.16 Favored 'Trans proline' 0 C--N 1.304 -1.795 0 C-N-CA 122.368 2.045 . . . . 0.0 111.862 -179.612 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.491 HG11 HD11 ' A' ' 5' ' ' ILE . 48.6 t -57.97 -48.91 82.92 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.783 0 O-C-N 121.053 -1.029 . . . . 0.0 110.097 -178.794 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 59.5 t -66.07 -47.96 83.17 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.615 0 C-N-CA 118.765 -1.174 . . . . 0.0 109.406 -178.527 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.73 -47.23 79.04 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.301 -0.874 . . . . 0.0 109.971 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 10.4 mtpm? -61.33 -36.48 80.27 Favored 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 119.29 -0.964 . . . . 0.0 110.275 -179.349 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 -60.09 -38.68 83.65 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.009 -1.057 . . . . 0.0 109.76 -178.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 78.2 mt -59.76 -40.37 82.31 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.412 0 O-C-N 120.963 -1.086 . . . . 0.0 108.797 179.187 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 94.5 t -62.31 -39.22 83.37 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.477 0 O-C-N 121.564 -0.71 . . . . 0.0 109.203 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . 0.485 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -59.66 -32.12 70.17 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.411 -0.806 . . . . 0.0 109.707 179.766 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 57.9 m -80.82 -22.75 39.73 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.293 -0.88 . . . . 0.0 110.508 -179.397 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 44.3 t -82.91 103.58 12.49 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.817 -1.177 . . . . 0.0 109.513 -179.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -60.12 -30.13 69.07 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.097 -1.002 . . . . 0.0 110.416 -179.455 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -71.31 -40.47 70.79 Favored 'General case' 0 N--CA 1.495 1.818 0 C-N-CA 119.203 -0.999 . . . . 0.0 110.931 -178.09 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 97.8 m -85.66 -19.67 30.58 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 120.739 -1.226 . . . . 0.0 109.857 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . 0.485 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 30.0 tt0 . . . . . 0 C--N 1.298 -1.661 0 O-C-N 121.169 -0.957 . . . . 0.0 109.397 -179.147 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 121.473 0.654 . . . . 0.0 109.881 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 15.3 mt -69.98 -34.7 73.71 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.107 -0.996 . . . . 0.0 111.746 -178.287 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -61.51 -46.3 90.56 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.678 -1.264 . . . . 0.0 110.621 -178.662 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.63 -46.4 31.56 Favored Glycine 0 N--CA 1.494 2.515 0 N-CA-C 109.416 -1.474 . . . . 0.0 109.416 179.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.463 ' O ' ' N ' ' A' ' 9' ' ' GLN . 78.2 mt -58.69 -39.98 78.04 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.512 0 O-C-N 121.501 -0.999 . . . . 0.0 109.798 -179.702 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 58.7 t0 -56.61 -46.46 80.88 Favored 'General case' 0 C--N 1.301 -1.503 0 C-N-CA 118.635 -1.226 . . . . 0.0 109.096 -179.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -69.51 -43.22 73.52 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.062 -1.024 . . . . 0.0 109.159 178.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.15 -36.95 84.47 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.237 -0.914 . . . . 0.0 109.579 179.075 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.463 ' N ' ' O ' ' A' ' 5' ' ' ILE . 60.4 tt0 -55.62 -40.43 72.11 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.273 -0.892 . . . . 0.0 109.052 -179.367 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 80.0 tt0 -60.02 -41.13 91.53 Favored 'General case' 0 C--N 1.304 -1.387 0 C-N-CA 119.381 -0.927 . . . . 0.0 108.986 179.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -61.47 -39.72 91.92 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.147 -0.97 . . . . 0.0 108.923 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.534 ' O ' ' N ' ' A' ' 16' ' ' HIS . 15.2 t60 -61.73 -43.77 98.2 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.098 -1.001 . . . . 0.0 109.777 179.28 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -60.16 -44.26 95.16 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.157 -0.964 . . . . 0.0 110.166 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 46.8 mtmt -61.5 -32.02 72.04 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.418 -0.802 . . . . 0.0 112.964 -178.597 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -138.27 -4.47 1.68 Allowed 'General case' 0 N--CA 1.506 2.327 0 O-C-N 120.541 -1.349 . . . . 0.0 112.845 -176.329 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.534 ' N ' ' O ' ' A' ' 12' ' ' HIS . 89.8 m-70 53.87 41.24 32.11 Favored 'General case' 0 N--CA 1.493 1.713 0 N-CA-C 107.578 -1.268 . . . . 0.0 107.578 -177.67 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 89.1 p -60.84 155.44 19.58 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.643 -0.661 . . . . 0.0 111.122 -178.34 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -71.32 159.21 34.99 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 108.863 -0.792 . . . . 0.0 108.863 179.235 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 41.8 p-90 -58.59 -30.79 67.47 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.158 -0.964 . . . . 0.0 110.385 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -63.45 -41.45 98.64 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.841 -1.162 . . . . 0.0 109.889 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.71 -47.79 71.26 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.316 -0.865 . . . . 0.0 109.883 -179.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 77.7 mtm -61.09 -39.47 90.03 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.104 -0.997 . . . . 0.0 109.331 179.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.521 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -57.35 -48.25 79.5 Favored 'General case' 0 C--N 1.303 -1.424 0 C-N-CA 119.552 -0.859 . . . . 0.0 109.242 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 20.4 t -70.05 -36.4 74.99 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.402 -0.811 . . . . 0.0 110.42 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -60.57 -40.23 90.92 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.25 -0.906 . . . . 0.0 110.174 -178.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -113.45 2.49 15.43 Favored 'General case' 0 N--CA 1.505 2.278 0 O-C-N 121.35 -0.844 . . . . 0.0 110.305 179.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.521 ' N ' ' O ' ' A' ' 23' ' ' ALA . 62.7 m-20 55.62 50.34 14.64 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.296 -0.877 . . . . 0.0 110.123 179.785 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 75.3 mt -115.49 151.85 46.46 Favored Pre-proline 0 N--CA 1.503 2.211 0 O-C-N 121.334 -0.854 . . . . 0.0 108.761 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_endo -61.16 150.83 82.64 Favored 'Trans proline' 0 N--CA 1.493 1.489 0 C-N-CA 121.938 1.759 . . . . 0.0 111.882 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -43.7 -41.22 11.35 Favored 'Trans proline' 0 C--N 1.313 -1.302 0 C-N-CA 122.202 1.935 . . . . 0.0 112.441 179.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 88.5 t -51.67 -50.24 31.86 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.913 0 O-C-N 121.138 -0.976 . . . . 0.0 110.441 -178.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 63.6 t -64.89 -48.61 83.55 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.646 0 C-N-CA 118.255 -1.378 . . . . 0.0 109.307 -178.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.58 -46.04 80.92 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.512 -0.743 . . . . 0.0 110.506 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 42.3 mtmt -62.44 -34.58 77.06 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 120.796 -1.19 . . . . 0.0 109.502 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.0 tm-20 -61.05 -39.32 89.37 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.135 -0.978 . . . . 0.0 109.725 -179.369 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 50.7 mt -59.36 -39.98 80.36 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 179.361 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 93.7 t -62.96 -39.63 85.87 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 O-C-N 121.357 -0.839 . . . . 0.0 108.791 179.169 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.72 -31.98 70.11 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.385 -0.822 . . . . 0.0 108.942 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.8 m -76.04 -29.14 57.96 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.531 -0.73 . . . . 0.0 109.413 179.602 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 51.4 t -82.62 103.76 12.38 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.368 -0.833 . . . . 0.0 109.492 179.63 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -61.66 -29.96 70.41 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.415 -0.803 . . . . 0.0 110.442 -179.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 60.8 mttp -70.06 -40.55 75.01 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.035 -1.04 . . . . 0.0 110.583 -179.036 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 99.6 m -85.7 -30.96 22.75 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 120.99 -1.069 . . . . 0.0 110.914 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.499 HE21 ' CD ' ' B' ' 44' ' ' GLN . 39.6 tt0 . . . . . 0 N--CA 1.496 1.852 0 O-C-N 120.969 -1.082 . . . . 0.0 110.897 -178.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 44.5 m-85 . . . . . 0 N--CA 1.49 1.555 0 CA-C-O 121.554 0.693 . . . . 0.0 109.902 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 16.3 mt -70.57 -34.25 72.0 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.304 -0.872 . . . . 0.0 111.663 -178.251 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -62.33 -45.8 91.59 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 120.567 -1.333 . . . . 0.0 110.632 -178.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.68 -46.03 26.0 Favored Glycine 0 N--CA 1.493 2.441 0 N-CA-C 109.375 -1.49 . . . . 0.0 109.375 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . 0.497 ' O ' ' N ' ' B' ' 9' ' ' GLN . 81.0 mt -58.24 -39.44 73.6 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.642 0 O-C-N 121.355 -1.085 . . . . 0.0 110.055 -179.725 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 61.5 t0 -57.62 -45.63 85.13 Favored 'General case' 0 C--N 1.301 -1.502 0 C-N-CA 119.139 -1.024 . . . . 0.0 108.956 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -69.52 -43.35 73.24 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.953 -1.092 . . . . 0.0 108.981 178.597 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.27 -36.82 83.97 Favored 'General case' 0 N--CA 1.486 1.369 0 O-C-N 121.256 -0.903 . . . . 0.0 109.324 179.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . 0.497 ' N ' ' O ' ' B' ' 5' ' ' ILE . 58.4 tt0 -55.83 -40.22 72.51 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.424 -0.797 . . . . 0.0 109.002 -179.334 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -60.07 -40.92 91.16 Favored 'General case' 0 C--N 1.3 -1.545 0 C-N-CA 119.392 -0.923 . . . . 0.0 109.023 179.369 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -61.78 -40.01 93.69 Favored 'General case' 0 N--CA 1.489 1.498 0 C-N-CA 119.145 -1.022 . . . . 0.0 109.095 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' HIS . . . . . 0.524 ' O ' ' N ' ' B' ' 16' ' ' HIS . 14.9 t60 -61.58 -42.4 98.8 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.009 -1.057 . . . . 0.0 109.626 179.4 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -60.63 -45.22 94.89 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.054 -1.029 . . . . 0.0 110.169 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 47.4 mtmt -61.25 -31.32 71.12 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.443 -0.786 . . . . 0.0 112.87 -178.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 47.2 m-85 -139.21 -3.98 1.53 Allowed 'General case' 0 N--CA 1.505 2.301 0 O-C-N 120.607 -1.308 . . . . 0.0 112.708 -176.228 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.524 ' N ' ' O ' ' B' ' 12' ' ' HIS . 90.1 m-70 54.04 40.62 31.81 Favored 'General case' 0 N--CA 1.493 1.677 0 N-CA-C 107.749 -1.204 . . . . 0.0 107.749 -178.031 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 90.7 p -60.08 155.86 16.2 Favored 'General case' 0 C--N 1.301 -1.529 0 CA-C-O 121.652 0.739 . . . . 0.0 111.189 -178.327 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -72.35 157.95 36.71 Favored 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 179.292 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 42.6 p-90 -57.05 -30.95 64.69 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.127 -0.983 . . . . 0.0 110.455 -179.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -63.37 -41.73 98.82 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.948 -1.095 . . . . 0.0 109.934 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.9 -47.07 72.93 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.403 -0.811 . . . . 0.0 109.842 -179.491 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 77.7 mtm -61.47 -39.91 92.61 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.038 -1.039 . . . . 0.0 109.198 179.503 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.514 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -56.69 -48.71 77.07 Favored 'General case' 0 C--N 1.3 -1.57 0 C-N-CA 119.623 -0.831 . . . . 0.0 109.186 179.815 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 19.8 t -70.22 -36.05 74.28 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.306 -0.871 . . . . 0.0 110.492 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -60.73 -39.97 90.63 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.215 -0.928 . . . . 0.0 110.464 -178.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -114.44 1.96 14.51 Favored 'General case' 0 N--CA 1.503 2.211 0 O-C-N 121.6 -0.687 . . . . 0.0 110.191 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.514 ' N ' ' O ' ' B' ' 23' ' ' ALA . 67.8 m-20 56.11 50.61 13.29 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.445 -0.785 . . . . 0.0 110.228 179.782 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 70.2 mt -115.97 151.6 46.68 Favored Pre-proline 0 N--CA 1.503 2.216 0 N-CA-C 108.52 -0.919 . . . . 0.0 108.52 179.662 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo -61.75 150.85 84.1 Favored 'Trans proline' 0 N--CA 1.497 1.693 0 C-N-CA 121.942 1.761 . . . . 0.0 111.996 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -43.17 -40.57 9.25 Favored 'Trans proline' 0 N--CA 1.489 1.226 0 C-N-CA 122.032 1.822 . . . . 0.0 112.308 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 86.7 t -51.89 -50.64 32.61 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 121.218 -0.926 . . . . 0.0 110.418 -178.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 62.6 t -64.77 -48.95 82.4 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.737 0 C-N-CA 118.33 -1.348 . . . . 0.0 109.476 -179.086 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.22 -45.8 83.24 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 121.416 -0.802 . . . . 0.0 110.639 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 42.0 mtmt -62.49 -34.12 76.22 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.036 -1.04 . . . . 0.0 109.777 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 13.2 tm-20 -61.91 -38.48 88.54 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.166 -0.958 . . . . 0.0 110.006 -179.419 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 45.9 mt -60.28 -39.78 81.82 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 N-CA-C 107.619 -1.252 . . . . 0.0 107.619 179.539 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 80.9 t -62.98 -39.92 87.03 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 179.175 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . 0.484 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -59.5 -32.17 70.03 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 179.4 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 51.8 m -76.0 -28.94 57.99 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.48 -0.763 . . . . 0.0 109.336 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 45.0 t -83.4 104.68 13.74 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.253 -0.904 . . . . 0.0 109.397 179.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -62.2 -29.68 70.54 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.327 -0.858 . . . . 0.0 110.518 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -70.01 -40.92 74.96 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.886 -1.134 . . . . 0.0 110.559 -178.699 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 94.2 m -85.13 -31.85 23.08 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.776 -1.202 . . . . 0.0 110.767 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . 0.499 ' CD ' HE21 ' A' ' 44' ' ' GLN . 5.8 tt0 . . . . . 0 N--CA 1.499 2.023 0 O-C-N 120.828 -1.17 . . . . 0.0 111.055 -178.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . 0.423 ' CE2' ' CE2' ' B' ' 1' ' ' PHE . 60.4 m-85 . . . . . 0 N--CA 1.492 1.639 0 CA-C-O 121.472 0.653 . . . . 0.0 109.764 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 20.2 mt -70.27 -35.19 73.6 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.202 -0.937 . . . . 0.0 111.114 -178.033 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -64.04 -45.72 87.6 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.868 -1.145 . . . . 0.0 110.774 -178.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.15 -41.96 52.29 Favored Glycine 0 N--CA 1.492 2.377 0 N-CA-C 109.338 -1.505 . . . . 0.0 109.338 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.417 HD12 ' O ' ' A' ' 1' ' ' PHE . 72.6 mt -60.42 -39.19 80.31 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.374 -1.074 . . . . 0.0 109.867 179.536 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 47.1 t0 -56.08 -48.27 76.42 Favored 'General case' 0 C--N 1.303 -1.417 0 C-N-CA 119.116 -1.034 . . . . 0.0 108.919 -179.068 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -69.12 -40.92 78.0 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.79 -1.194 . . . . 0.0 109.317 178.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.6 -40.24 88.77 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.351 -0.843 . . . . 0.0 109.856 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -55.65 -40.41 72.18 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.256 -0.902 . . . . 0.0 109.637 -179.24 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -62.24 -40.18 95.28 Favored 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 119.521 -0.872 . . . . 0.0 109.239 179.327 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -61.4 -40.63 95.09 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.064 -1.022 . . . . 0.0 108.677 179.465 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.535 ' O ' ' N ' ' A' ' 16' ' ' HIS . 12.8 t60 -60.22 -46.84 88.38 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.336 -0.853 . . . . 0.0 110.091 179.614 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -60.05 -42.97 95.61 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.346 -0.846 . . . . 0.0 110.905 -179.636 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.5 mtpp -61.7 -32.38 72.58 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.329 -0.857 . . . . 0.0 112.479 -178.121 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 -139.36 -3.97 1.5 Allowed 'General case' 0 N--CA 1.506 2.362 0 O-C-N 120.727 -1.233 . . . . 0.0 112.835 -176.534 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.535 ' N ' ' O ' ' A' ' 12' ' ' HIS . 81.3 m-70 54.55 44.28 28.98 Favored 'General case' 0 N--CA 1.499 1.979 0 N-CA-C 107.004 -1.48 . . . . 0.0 107.004 -177.422 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 91.8 p -67.49 157.01 35.26 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.605 -0.684 . . . . 0.0 110.307 -178.477 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 36.0 m120 -73.52 158.65 34.48 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.355 -0.841 . . . . 0.0 109.055 179.413 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 55.3 p-90 -57.76 -30.54 65.69 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.355 -0.841 . . . . 0.0 110.302 -179.485 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 79.3 mtm180 -61.29 -39.85 91.96 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.835 -1.166 . . . . 0.0 109.554 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.08 -49.37 57.94 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.697 -0.627 . . . . 0.0 110.321 -179.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 79.3 mtm -60.6 -39.23 87.37 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.051 -1.031 . . . . 0.0 109.631 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.559 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -57.19 -47.74 80.5 Favored 'General case' 0 C--N 1.299 -1.613 0 C-N-CA 119.505 -0.878 . . . . 0.0 109.57 -179.667 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 18.3 t -68.27 -36.41 79.37 Favored 'General case' 0 C--N 1.298 -1.672 0 O-C-N 121.181 -0.949 . . . . 0.0 110.04 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -59.88 -40.03 87.29 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.279 -0.888 . . . . 0.0 110.428 -178.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -114.43 1.6 14.42 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.38 -0.825 . . . . 0.0 110.121 -179.385 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.559 ' N ' ' O ' ' A' ' 23' ' ' ALA . 85.9 m-20 56.12 45.09 24.12 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.411 -0.806 . . . . 0.0 110.168 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 61.0 mt -107.77 150.98 40.94 Favored Pre-proline 0 N--CA 1.503 2.224 0 O-C-N 121.176 -0.953 . . . . 0.0 108.473 179.39 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -61.78 149.76 88.68 Favored 'Trans proline' 0 N--CA 1.489 1.234 0 C-N-CA 121.526 1.484 . . . . 0.0 111.325 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -42.75 -38.43 6.59 Favored 'Trans proline' 0 C--N 1.313 -1.309 0 C-N-CA 122.315 2.01 . . . . 0.0 113.171 -179.374 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.435 HG11 HD11 ' B' ' 5' ' ' ILE . 59.2 t -54.09 -50.91 51.46 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.943 0 O-C-N 120.949 -1.095 . . . . 0.0 110.231 -177.557 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 57.7 t -64.19 -48.21 86.65 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.736 0 C-N-CA 118.739 -1.184 . . . . 0.0 109.339 -178.584 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.89 -45.28 82.58 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.46 -0.775 . . . . 0.0 109.692 179.631 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 53.4 mtpt -60.25 -37.37 80.18 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.111 -0.993 . . . . 0.0 110.491 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.6 tm-20 -60.53 -39.47 87.98 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.821 -1.174 . . . . 0.0 110.349 -179.469 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 89.6 mt -60.02 -39.54 80.57 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.493 0 O-C-N 120.65 -1.281 . . . . 0.0 107.751 178.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 92.9 t -66.05 -39.4 84.4 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.397 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 178.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.29 -38.11 76.37 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.773 -0.579 . . . . 0.0 110.661 -179.699 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 47.4 m -77.24 -22.79 51.69 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.417 -0.802 . . . . 0.0 109.597 -179.212 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 45.4 t -81.05 98.77 8.13 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.27 -0.894 . . . . 0.0 109.195 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -60.83 -28.9 69.16 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.597 -0.69 . . . . 0.0 110.442 -179.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 60.8 mttm -68.85 -39.68 79.77 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 120.963 -1.085 . . . . 0.0 110.423 -178.229 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 57.6 m -83.45 -51.87 7.0 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 120.903 -1.123 . . . . 0.0 110.34 -179.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.728 HE22 ' NE2' ' B' ' 44' ' ' GLN . 13.1 tt0 . . . . . 0 N--CA 1.494 1.752 0 O-C-N 120.926 -1.109 . . . . 0.0 110.083 -179.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . 0.474 ' O ' HD12 ' B' ' 5' ' ' ILE . 58.1 m-85 . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 121.545 0.688 . . . . 0.0 109.458 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 19.2 mt -70.52 -34.99 72.92 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.341 -0.849 . . . . 0.0 110.879 -178.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -64.27 -45.5 87.79 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.821 -1.174 . . . . 0.0 110.837 -178.681 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.39 -41.49 52.1 Favored Glycine 0 N--CA 1.492 2.411 0 N-CA-C 109.289 -1.524 . . . . 0.0 109.289 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . 0.474 HD12 ' O ' ' B' ' 1' ' ' PHE . 67.3 mt -60.12 -39.63 81.05 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.438 0 O-C-N 121.359 -1.083 . . . . 0.0 109.807 179.618 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 46.7 t0 -55.85 -49.02 74.46 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.036 -1.04 . . . . 0.0 109.017 -178.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -68.99 -40.36 78.82 Favored 'General case' 0 C--N 1.3 -1.581 0 C-N-CA 118.453 -1.299 . . . . 0.0 109.428 178.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.63 -38.12 83.45 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.097 -1.002 . . . . 0.0 109.779 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . 0.421 ' N ' ' O ' ' B' ' 5' ' ' ILE . 60.4 tt0 -56.27 -41.22 75.47 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.144 -0.973 . . . . 0.0 109.628 -179.477 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 78.9 tt0 -61.75 -41.08 97.21 Favored 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 119.618 -0.833 . . . . 0.0 108.906 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 23.6 tp10 -60.28 -39.83 88.26 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.041 -1.037 . . . . 0.0 108.557 179.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' HIS . . . . . 0.529 ' O ' ' N ' ' B' ' 16' ' ' HIS . 16.5 t60 -60.62 -47.59 85.55 Favored 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 119.917 -0.713 . . . . 0.0 109.494 179.45 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -60.24 -43.72 95.85 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.375 -0.828 . . . . 0.0 110.718 -178.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 25.3 mtpp -60.52 -32.67 71.68 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.193 -0.942 . . . . 0.0 112.736 -178.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -139.66 -3.21 1.49 Allowed 'General case' 0 N--CA 1.505 2.297 0 O-C-N 120.723 -1.235 . . . . 0.0 112.88 -176.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.529 ' N ' ' O ' ' B' ' 12' ' ' HIS . 82.2 m-70 54.17 45.46 27.36 Favored 'General case' 0 N--CA 1.498 1.932 0 N-CA-C 106.871 -1.529 . . . . 0.0 106.871 -177.435 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 96.3 p -69.49 154.12 42.49 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.544 -0.723 . . . . 0.0 110.248 -178.333 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 35.7 m120 -70.4 158.51 35.86 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.302 -0.874 . . . . 0.0 108.973 179.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 56.9 p-90 -57.29 -31.65 65.85 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.351 -0.843 . . . . 0.0 110.503 -179.334 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 80.1 mtm180 -60.51 -39.24 87.05 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.143 -0.973 . . . . 0.0 109.817 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.69 -50.3 45.15 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.229 -0.919 . . . . 0.0 109.905 -179.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 79.4 mtm -59.99 -39.46 85.8 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.127 -0.983 . . . . 0.0 109.455 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.519 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -57.83 -46.37 84.82 Favored 'General case' 0 C--N 1.303 -1.421 0 C-N-CA 119.266 -0.974 . . . . 0.0 109.409 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 24.9 t -69.64 -36.34 76.02 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.224 -0.923 . . . . 0.0 110.058 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -60.01 -40.2 88.43 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.132 -0.98 . . . . 0.0 110.295 -179.033 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -113.1 0.13 14.87 Favored 'General case' 0 N--CA 1.505 2.297 0 O-C-N 121.308 -0.87 . . . . 0.0 110.448 -179.303 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.519 ' N ' ' O ' ' B' ' 23' ' ' ALA . 78.0 m-20 56.86 46.65 19.36 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.42 -0.8 . . . . 0.0 110.272 179.792 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 68.4 mt -109.76 151.24 42.21 Favored Pre-proline 0 N--CA 1.496 1.852 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 179.322 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -61.12 151.09 81.11 Favored 'Trans proline' 0 C--N 1.309 -1.531 0 C-N-CA 121.439 1.426 . . . . 0.0 111.262 179.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_exo -44.26 -37.78 10.5 Favored 'Trans proline' 0 C--N 1.311 -1.405 0 C-N-CA 122.421 2.081 . . . . 0.0 112.728 -179.652 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 49.8 t -54.53 -49.83 63.21 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.781 0 O-C-N 121.156 -0.965 . . . . 0.0 110.488 -177.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 63.4 t -65.25 -47.5 87.09 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.763 0 C-N-CA 118.44 -1.304 . . . . 0.0 109.575 -178.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.41 -44.36 83.19 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.454 -0.779 . . . . 0.0 109.904 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 56.0 mtpt -61.98 -37.16 83.76 Favored 'General case' 0 C--N 1.306 -1.312 0 O-C-N 121.288 -0.883 . . . . 0.0 110.632 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 16.7 tm-20 -59.85 -39.91 86.78 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.785 -1.197 . . . . 0.0 109.767 -179.344 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 91.4 mt -59.7 -40.28 81.93 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 O-C-N 120.782 -1.199 . . . . 0.0 108.175 179.036 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 86.9 t -65.69 -38.7 82.91 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 178.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.05 -38.37 79.19 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.577 -0.702 . . . . 0.0 109.883 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 26.4 m -76.41 -23.17 54.0 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.03 -1.044 . . . . 0.0 109.53 -179.441 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 53.1 t -80.38 99.61 8.03 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.122 -0.986 . . . . 0.0 109.048 179.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -61.48 -30.03 70.35 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.615 -0.678 . . . . 0.0 110.095 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 62.4 mttm -68.11 -38.13 81.91 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.028 -1.045 . . . . 0.0 110.531 -178.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 54.1 m -84.17 -53.63 5.38 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.932 -1.105 . . . . 0.0 110.333 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . 0.728 ' NE2' HE22 ' A' ' 44' ' ' GLN . 44.2 tt0 . . . . . 0 C--N 1.3 -1.558 0 O-C-N 120.847 -1.158 . . . . 0.0 109.715 -179.023 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . 0.442 ' O ' HD12 ' A' ' 5' ' ' ILE . 91.1 m-85 . . . . . 0 N--CA 1.49 1.544 0 CA-C-O 121.567 0.699 . . . . 0.0 109.54 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 23.1 mt -75.91 -41.83 50.72 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.501 -0.749 . . . . 0.0 110.994 -178.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 58.9 t0 -65.36 -50.01 67.19 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.878 -1.139 . . . . 0.0 110.459 -178.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.78 -48.95 66.43 Favored Glycine 0 N--CA 1.494 2.563 0 N-CA-C 109.975 -1.25 . . . . 0.0 109.975 -179.32 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.515 HD11 HG11 ' B' ' 31' ' ' VAL . 77.6 mt -58.9 -39.67 78.29 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.13 -1.218 . . . . 0.0 110.361 -179.588 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -54.16 -46.17 72.22 Favored 'General case' 0 C--N 1.296 -1.737 0 O-C-N 120.491 -1.38 . . . . 0.0 108.946 -179.214 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -70.08 -42.75 72.37 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.911 -1.118 . . . . 0.0 109.583 178.271 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.39 -38.28 84.45 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.284 -0.885 . . . . 0.0 109.292 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.462 ' N ' ' O ' ' A' ' 5' ' ' ILE . 60.1 tt0 -57.44 -40.64 78.86 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.613 -0.679 . . . . 0.0 109.41 -179.671 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -61.13 -40.48 93.96 Favored 'General case' 0 C--N 1.301 -1.502 0 C-N-CA 118.992 -1.083 . . . . 0.0 108.836 179.393 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 15.2 tm-20 -62.44 -40.7 97.41 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.046 -1.034 . . . . 0.0 109.331 179.145 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.556 ' O ' ' N ' ' A' ' 16' ' ' HIS . 13.2 t60 -59.96 -44.16 94.59 Favored 'General case' 0 C--N 1.304 -1.401 0 C-N-CA 119.225 -0.99 . . . . 0.0 109.029 179.723 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -60.68 -45.64 93.41 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.839 -1.163 . . . . 0.0 110.934 -179.526 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 54.5 mtmt -60.47 -32.21 71.19 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.09 -1.006 . . . . 0.0 112.595 -178.314 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 45.3 m-85 -137.87 -4.98 1.73 Allowed 'General case' 0 N--CA 1.509 2.475 0 O-C-N 120.65 -1.281 . . . . 0.0 113.043 -177.04 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.556 ' N ' ' O ' ' A' ' 12' ' ' HIS . 92.7 m-70 54.71 42.72 31.01 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 120.503 -1.373 . . . . 0.0 107.511 -177.788 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 78.6 p -63.89 158.01 23.27 Favored 'General case' 0 C--N 1.297 -1.689 0 CA-C-O 121.504 0.669 . . . . 0.0 110.73 -178.232 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 -74.31 159.03 32.97 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.594 -0.691 . . . . 0.0 109.261 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 38.6 p-90 -57.71 -29.79 64.99 Favored 'General case' 0 C--N 1.303 -1.432 0 C-N-CA 119.33 -0.948 . . . . 0.0 109.909 -179.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 80.4 mtm180 -63.87 -40.29 96.2 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 120.898 -1.126 . . . . 0.0 110.364 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.83 -47.81 61.34 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.125 -0.984 . . . . 0.0 108.984 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 78.2 mtm -61.05 -40.23 92.86 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.316 -0.865 . . . . 0.0 109.447 179.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.5 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -59.63 -45.87 90.67 Favored 'General case' 0 N--CA 1.492 1.626 0 C-N-CA 119.513 -0.875 . . . . 0.0 109.174 179.569 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 43.6 t -70.76 -37.16 73.38 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.506 -0.746 . . . . 0.0 110.249 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -60.24 -39.31 86.24 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.258 -0.901 . . . . 0.0 109.962 -178.397 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -111.51 -2.52 15.47 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.566 -0.709 . . . . 0.0 110.045 -179.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.5 ' N ' ' O ' ' A' ' 23' ' ' ALA . 11.1 t-20 59.74 47.09 10.79 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.639 -0.663 . . . . 0.0 109.562 179.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 53.0 mt -113.62 152.15 45.18 Favored Pre-proline 0 N--CA 1.502 2.157 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 179.353 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -60.13 149.39 85.16 Favored 'Trans proline' 0 C--N 1.312 -1.345 0 C-N-CA 121.65 1.566 . . . . 0.0 111.509 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -41.19 -37.7 2.99 Favored 'Trans proline' 0 C--N 1.31 -1.455 0 C-N-CA 121.922 1.748 . . . . 0.0 111.854 178.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.55 HG11 HD11 ' B' ' 5' ' ' ILE . 98.4 t -50.49 -51.83 17.66 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.766 0 O-C-N 121.264 -0.897 . . . . 0.0 110.747 -177.745 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 58.1 t -66.32 -48.54 80.66 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.937 0 C-N-CA 118.545 -1.262 . . . . 0.0 109.327 -178.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.54 -46.69 84.8 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.281 -0.887 . . . . 0.0 110.491 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 43.7 mtmt -60.52 -37.44 81.18 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 120.895 -1.128 . . . . 0.0 110.199 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.2 tm-20 -60.81 -39.97 90.95 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.012 -1.055 . . . . 0.0 110.107 -178.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 50.0 mt -59.72 -39.74 80.54 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 O-C-N 120.789 -1.194 . . . . 0.0 108.702 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 59.8 t -63.68 -39.66 86.17 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.029 -1.045 . . . . 0.0 108.506 179.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.414 ' O ' ' OE1' ' A' ' 44' ' ' GLN . . . -60.65 -31.18 70.4 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.521 -0.737 . . . . 0.0 109.344 179.015 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 68.5 m -77.09 -28.19 54.43 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.277 -0.89 . . . . 0.0 109.864 -179.213 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 43.0 t -82.25 103.11 11.6 Favored 'General case' 0 N--CA 1.486 1.365 0 O-C-N 121.273 -0.892 . . . . 0.0 109.899 -179.629 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -60.57 -29.96 69.51 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.458 -0.776 . . . . 0.0 110.023 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 64.1 mttp -69.97 -39.53 75.9 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.939 -1.101 . . . . 0.0 110.703 -178.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 62.1 m -84.99 -30.1 24.47 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.705 -1.247 . . . . 0.0 109.639 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.549 ' NE2' ' OE1' ' B' ' 44' ' ' GLN . 55.5 tt0 . . . . . 0 N--CA 1.492 1.648 0 O-C-N 121.062 -1.024 . . . . 0.0 110.212 -179.239 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . 0.466 ' O ' HD12 ' B' ' 5' ' ' ILE . 88.3 m-85 . . . . . 0 N--CA 1.488 1.455 0 CA-C-O 121.511 0.672 . . . . 0.0 109.55 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 23.5 mt -76.45 -42.83 42.51 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.58 -0.7 . . . . 0.0 110.649 -179.016 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 57.2 t0 -63.27 -52.05 63.64 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.067 -1.021 . . . . 0.0 110.518 -178.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.61 -49.53 72.59 Favored Glycine 0 N--CA 1.495 2.592 0 N-CA-C 110.205 -1.158 . . . . 0.0 110.205 -179.245 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . 0.55 HD11 HG11 ' A' ' 31' ' ' VAL . 79.1 mt -58.87 -38.74 74.8 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.279 -1.13 . . . . 0.0 110.337 -179.579 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -54.68 -45.7 73.96 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 120.669 -1.269 . . . . 0.0 108.759 -179.467 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -70.36 -42.53 71.68 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.043 -1.036 . . . . 0.0 109.658 178.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.06 -38.89 82.95 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.312 -0.868 . . . . 0.0 109.563 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . 0.415 ' N ' ' O ' ' B' ' 5' ' ' ILE . 59.2 tt0 -57.41 -40.44 78.3 Favored 'General case' 0 C--N 1.298 -1.649 0 O-C-N 121.268 -0.895 . . . . 0.0 109.131 -179.749 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -61.14 -41.31 96.5 Favored 'General case' 0 C--N 1.302 -1.496 0 C-N-CA 119.093 -1.043 . . . . 0.0 108.605 179.126 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 15.2 tm-20 -61.73 -40.69 95.96 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.217 -0.927 . . . . 0.0 109.211 179.26 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' HIS . . . . . 0.512 ' O ' ' N ' ' B' ' 16' ' ' HIS . 12.7 t60 -59.87 -43.46 94.71 Favored 'General case' 0 C--N 1.302 -1.492 0 C-N-CA 119.099 -1.04 . . . . 0.0 109.123 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -61.08 -45.75 93.45 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.093 -1.004 . . . . 0.0 111.068 -179.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 54.8 mtmt -60.74 -31.04 70.37 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.23 -0.919 . . . . 0.0 113.004 -178.319 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 48.1 m-85 -139.15 -5.05 1.47 Allowed 'General case' 0 N--CA 1.507 2.404 0 O-C-N 120.614 -1.304 . . . . 0.0 112.7 -176.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.512 ' N ' ' O ' ' B' ' 12' ' ' HIS . 91.8 m-70 54.35 42.05 31.64 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 120.629 -1.294 . . . . 0.0 107.9 -178.018 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 82.4 p -62.61 159.0 16.87 Favored 'General case' 0 C--N 1.297 -1.676 0 CA-C-O 121.573 0.702 . . . . 0.0 110.64 -178.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -75.31 159.39 31.53 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.493 -0.754 . . . . 0.0 109.61 179.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 32.5 p-90 -57.85 -30.06 65.48 Favored 'General case' 0 C--N 1.305 -1.365 0 C-N-CA 119.503 -0.879 . . . . 0.0 110.065 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 79.2 mtm180 -63.34 -40.66 97.91 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.12 -0.988 . . . . 0.0 110.053 179.581 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.69 -48.01 61.16 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.346 -0.846 . . . . 0.0 109.158 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 77.3 mtm -60.34 -40.73 91.75 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.431 -0.793 . . . . 0.0 109.221 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.517 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -58.95 -46.43 88.05 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.393 -0.817 . . . . 0.0 109.303 179.407 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 47.8 t -70.32 -37.65 74.76 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.54 -0.725 . . . . 0.0 110.261 179.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -59.89 -39.16 84.4 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.372 -0.83 . . . . 0.0 110.109 -178.468 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -112.24 -2.36 14.91 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.555 -0.715 . . . . 0.0 109.795 -179.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.517 ' N ' ' O ' ' B' ' 23' ' ' ALA . 11.6 t-20 59.36 48.84 9.55 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.52 -0.738 . . . . 0.0 109.466 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 53.8 mt -115.03 152.48 46.62 Favored Pre-proline 0 N--CA 1.501 2.113 0 N-CA-C 108.412 -0.959 . . . . 0.0 108.412 179.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -60.35 150.18 81.87 Favored 'Trans proline' 0 C--N 1.313 -1.303 0 C-N-CA 121.518 1.479 . . . . 0.0 111.722 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -41.87 -37.79 4.37 Favored 'Trans proline' 0 C--N 1.308 -1.575 0 C-N-CA 121.885 1.723 . . . . 0.0 111.584 178.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.515 HG11 HD11 ' A' ' 5' ' ' ILE . 73.8 t -50.72 -51.97 18.15 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.622 0 O-C-N 121.19 -0.944 . . . . 0.0 110.916 -177.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 84.0 t -66.54 -48.19 81.23 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.015 0 C-N-CA 118.561 -1.256 . . . . 0.0 109.235 -179.338 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.61 -46.87 83.79 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.315 -0.866 . . . . 0.0 110.385 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 43.5 mtmt -60.94 -36.48 79.44 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.868 -1.145 . . . . 0.0 110.296 -179.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -60.78 -39.85 90.37 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 119.212 -0.995 . . . . 0.0 110.164 -178.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 50.9 mt -59.82 -40.1 81.73 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 O-C-N 120.871 -1.143 . . . . 0.0 108.76 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 58.2 t -63.24 -40.17 88.04 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.451 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 179.395 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . 0.548 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -60.73 -31.27 70.58 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.402 -0.811 . . . . 0.0 109.501 179.147 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 66.7 m -77.06 -28.18 54.59 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.238 -0.914 . . . . 0.0 109.63 -179.569 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 48.2 t -82.05 102.01 10.73 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.31 -0.869 . . . . 0.0 110.068 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -60.12 -29.94 68.95 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.424 -0.798 . . . . 0.0 110.212 179.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -69.63 -38.46 77.22 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 120.868 -1.145 . . . . 0.0 110.847 -178.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 60.0 m -85.93 -31.21 22.26 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.922 -1.111 . . . . 0.0 109.863 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . 0.549 ' OE1' ' NE2' ' A' ' 44' ' ' GLN . 6.7 tt0 . . . . . 0 N--CA 1.489 1.514 0 O-C-N 121.181 -0.95 . . . . 0.0 110.085 -178.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . 0.458 ' CE2' ' CE2' ' B' ' 1' ' ' PHE . 76.4 m-85 . . . . . 0 N--CA 1.49 1.538 0 CA-C-O 121.368 0.604 . . . . 0.0 110.214 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 14.1 mt -71.39 -35.56 71.09 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.275 -0.891 . . . . 0.0 111.245 -178.274 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 -62.77 -52.46 63.12 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.722 -1.236 . . . . 0.0 110.685 -178.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.04 -44.98 93.55 Favored Glycine 0 N--CA 1.49 2.264 0 N-CA-C 109.9 -1.28 . . . . 0.0 109.9 -179.511 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.505 HD11 HG11 ' B' ' 31' ' ' VAL . 87.2 mt -60.01 -39.55 80.6 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.471 0 O-C-N 121.267 -1.137 . . . . 0.0 110.945 -179.303 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -55.05 -45.71 75.3 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.035 -1.04 . . . . 0.0 108.942 -179.101 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 36.1 mtmm -69.6 -43.93 71.76 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 120.976 -1.078 . . . . 0.0 109.478 178.597 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.96 -34.2 77.57 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.321 -0.862 . . . . 0.0 109.57 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.415 ' N ' ' O ' ' A' ' 5' ' ' ILE . 56.1 tt0 -57.75 -42.25 83.56 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.061 -1.024 . . . . 0.0 108.902 -179.658 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -61.91 -40.75 96.56 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.386 -0.821 . . . . 0.0 109.046 179.421 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.2 tm-20 -61.16 -40.52 94.17 Favored 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 179.303 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.538 ' O ' ' N ' ' A' ' 16' ' ' HIS . 13.3 t60 -62.59 -46.54 87.85 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 120.019 -0.672 . . . . 0.0 110.192 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 78.5 tt0 -60.68 -42.62 97.47 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.237 -0.915 . . . . 0.0 110.616 -179.404 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -63.1 -30.62 71.74 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.33 -0.856 . . . . 0.0 112.621 -178.281 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -140.34 -4.67 1.28 Allowed 'General case' 0 N--CA 1.507 2.41 0 O-C-N 120.759 -1.213 . . . . 0.0 112.969 -176.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.538 ' N ' ' O ' ' A' ' 12' ' ' HIS . 90.7 m-70 54.52 45.19 27.5 Favored 'General case' 0 N--CA 1.495 1.809 0 N-CA-C 107.154 -1.424 . . . . 0.0 107.154 -177.514 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 95.1 p -65.86 156.16 34.18 Favored 'General case' 0 C--N 1.305 -1.336 0 CA-C-O 121.36 0.6 . . . . 0.0 110.363 -178.581 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -73.07 159.29 33.83 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.416 -0.803 . . . . 0.0 108.918 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 42.2 p-90 -56.9 -29.43 63.02 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.303 -0.873 . . . . 0.0 110.225 -179.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 72.3 mtm180 -62.61 -40.6 97.47 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.621 -1.299 . . . . 0.0 109.823 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.16 -50.42 61.24 Favored 'General case' 0 C--N 1.3 -1.552 0 C-N-CA 119.694 -0.802 . . . . 0.0 109.59 -179.052 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 78.0 mtm -61.16 -40.66 94.69 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 121.33 -0.857 . . . . 0.0 109.35 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.483 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -58.02 -49.77 75.72 Favored 'General case' 0 C--N 1.303 -1.43 0 C-N-CA 119.521 -0.871 . . . . 0.0 109.231 179.739 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 42.7 t -70.41 -36.43 74.03 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.672 -0.642 . . . . 0.0 110.382 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -59.87 -40.42 88.6 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.261 -0.899 . . . . 0.0 110.524 -178.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -112.17 0.27 15.79 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 121.388 -0.82 . . . . 0.0 109.905 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.483 ' N ' ' O ' ' A' ' 23' ' ' ALA . 42.2 t30 60.01 46.28 11.09 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.233 -0.917 . . . . 0.0 109.937 179.619 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 51.0 mt -110.32 151.69 42.79 Favored Pre-proline 0 N--CA 1.5 2.065 0 N-CA-C 108.204 -1.036 . . . . 0.0 108.204 179.446 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 21.5 Cg_endo -60.9 162.29 19.38 Favored 'Trans proline' 0 N--CA 1.492 1.421 0 C-N-CA 121.776 1.65 . . . . 0.0 111.269 179.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_endo -56.42 -34.85 95.56 Favored 'Trans proline' 0 C--N 1.302 -1.901 0 C-N-CA 122.267 1.978 . . . . 0.0 111.974 -179.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.41 HG11 HD11 ' B' ' 5' ' ' ILE . 79.7 t -56.21 -49.44 76.2 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.618 0 O-C-N 120.839 -1.163 . . . . 0.0 109.649 -179.158 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 66.2 t -64.96 -49.3 80.38 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.781 0 C-N-CA 118.712 -1.195 . . . . 0.0 109.464 -179.085 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.16 -46.28 81.52 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.548 -0.72 . . . . 0.0 110.361 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.468 ' NZ ' ' CB ' ' A' ' 34' ' ' LYS . 8.4 mtmp? -61.29 -34.87 75.92 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 120.607 -1.308 . . . . 0.0 109.829 179.47 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.436 ' OE2' ' NZ ' ' B' ' 34' ' ' LYS . 16.0 tm-20 -61.04 -39.96 91.78 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.918 -1.114 . . . . 0.0 110.362 -179.25 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 69.8 mt -60.38 -39.44 80.99 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 O-C-N 120.922 -1.111 . . . . 0.0 108.092 179.437 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 94.6 t -65.6 -39.03 83.77 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.421 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 178.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.408 ' O ' ' OE1' ' A' ' 44' ' ' GLN . . . -61.24 -30.7 70.61 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.684 -0.635 . . . . 0.0 109.691 179.721 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.9 m -80.2 -26.18 39.32 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.806 -1.184 . . . . 0.0 109.638 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 40.8 t -81.35 102.44 10.45 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.211 -0.93 . . . . 0.0 109.483 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -60.06 -29.62 68.66 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.563 -0.711 . . . . 0.0 110.37 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -69.87 -39.9 76.03 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.791 -1.193 . . . . 0.0 110.384 -178.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 69.2 m -84.64 -23.65 29.42 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.03 -1.044 . . . . 0.0 109.343 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.408 ' OE1' ' O ' ' A' ' 38' ' ' ALA . 36.2 tt0 . . . . . 0 N--CA 1.495 1.802 0 O-C-N 120.936 -1.103 . . . . 0.0 109.019 179.278 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . 0.458 ' CE2' ' CE2' ' A' ' 1' ' ' PHE . 74.8 m-85 . . . . . 0 N--CA 1.49 1.568 0 CA-C-O 121.235 0.541 . . . . 0.0 110.162 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 14.2 mt -71.6 -35.9 70.66 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.229 -0.92 . . . . 0.0 111.351 -178.272 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -62.71 -50.82 69.62 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 120.649 -1.282 . . . . 0.0 110.775 -178.617 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.89 -45.48 87.9 Favored Glycine 0 N--CA 1.487 2.079 0 N-CA-C 109.99 -1.244 . . . . 0.0 109.99 -179.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . 0.422 HD12 ' O ' ' B' ' 1' ' ' PHE . 86.3 mt -60.02 -39.64 80.88 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.472 0 O-C-N 121.339 -1.095 . . . . 0.0 111.025 -179.101 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -55.28 -45.43 76.19 Favored 'General case' 0 C--N 1.304 -1.404 0 C-N-CA 119.015 -1.074 . . . . 0.0 108.963 -178.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 36.5 mtmm -69.68 -44.02 71.33 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.062 -1.024 . . . . 0.0 109.029 178.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.63 -34.7 78.83 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.284 -0.885 . . . . 0.0 109.674 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 57.7 tt0 -57.83 -41.72 82.86 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.021 -1.049 . . . . 0.0 109.089 -179.483 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -62.21 -40.64 96.77 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.146 -0.971 . . . . 0.0 109.08 179.088 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 14.6 tm-20 -61.06 -40.59 94.24 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.171 -0.956 . . . . 0.0 108.676 179.493 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' HIS . . . . . 0.523 ' O ' ' N ' ' B' ' 16' ' ' HIS . 13.4 t60 -62.45 -46.44 88.52 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 119.79 -0.764 . . . . 0.0 110.323 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 -60.45 -42.34 95.94 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.2 -0.937 . . . . 0.0 110.548 -179.583 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -63.75 -30.34 71.45 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.054 -1.028 . . . . 0.0 112.644 -178.235 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -140.36 -4.68 1.28 Allowed 'General case' 0 N--CA 1.507 2.387 0 O-C-N 120.693 -1.255 . . . . 0.0 112.958 -176.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.523 ' N ' ' O ' ' B' ' 12' ' ' HIS . 90.4 m-70 54.47 44.58 28.6 Favored 'General case' 0 N--CA 1.498 1.96 0 N-CA-C 107.115 -1.439 . . . . 0.0 107.115 -177.693 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 99.2 p -65.45 156.1 33.46 Favored 'General case' 0 C--N 1.302 -1.497 0 CA-C-O 121.574 0.702 . . . . 0.0 110.48 -178.41 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -72.79 158.69 35.08 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.093 -1.004 . . . . 0.0 109.445 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 38.7 p-90 -56.91 -29.26 62.89 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.043 -1.036 . . . . 0.0 110.526 -179.47 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 72.3 mtm180 -62.35 -40.63 97.02 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.675 -1.266 . . . . 0.0 109.864 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.34 -50.36 60.26 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.277 -0.889 . . . . 0.0 109.571 -179.27 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 77.8 mtm -61.13 -39.79 91.37 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 121.206 -0.934 . . . . 0.0 109.397 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.489 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -58.63 -49.2 78.37 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.302 -0.874 . . . . 0.0 109.01 179.773 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 38.3 t -70.6 -37.41 73.88 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.621 -0.675 . . . . 0.0 110.267 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 54.1 t0 -59.12 -40.46 85.49 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.244 -0.91 . . . . 0.0 110.49 -178.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -112.26 0.68 15.83 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.483 -0.761 . . . . 0.0 109.8 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.489 ' N ' ' O ' ' B' ' 23' ' ' ALA . 42.3 t30 59.68 44.51 14.19 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.194 -0.941 . . . . 0.0 110.203 179.474 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 48.3 mt -108.89 151.04 41.63 Favored Pre-proline 0 N--CA 1.499 1.976 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 179.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -60.81 162.6 18.2 Favored 'Trans proline' 0 C--N 1.312 -1.356 0 C-N-CA 121.496 1.464 . . . . 0.0 111.12 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_endo -56.62 -33.96 94.5 Favored 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 122.49 2.127 . . . . 0.0 112.24 -179.6 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.505 HG11 HD11 ' A' ' 5' ' ' ILE . 82.9 t -56.9 -49.24 79.67 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.693 0 O-C-N 120.776 -1.202 . . . . 0.0 109.624 -179.299 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . 0.403 HG13 HD11 ' B' ' 5' ' ' ILE . 66.2 t -65.39 -49.09 80.49 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.845 0 C-N-CA 118.673 -1.211 . . . . 0.0 109.236 -178.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.49 -46.23 80.56 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.586 -0.696 . . . . 0.0 110.204 -179.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.459 ' CB ' ' NZ ' ' B' ' 34' ' ' LYS . 8.3 mtmp? -61.24 -35.42 77.2 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.645 -1.284 . . . . 0.0 109.852 179.31 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 16.3 tm-20 -60.87 -39.92 90.98 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 120.98 -1.075 . . . . 0.0 110.246 -179.146 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 73.6 mt -60.2 -40.04 82.41 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 120.737 -1.227 . . . . 0.0 107.982 179.594 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 89.7 t -64.55 -40.07 87.77 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.566 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 178.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . 0.586 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -60.09 -31.79 70.35 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.296 -0.878 . . . . 0.0 109.765 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 49.8 m -79.42 -26.43 41.87 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 120.855 -1.153 . . . . 0.0 109.483 -179.391 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 42.5 t -81.41 102.18 10.33 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.245 -0.909 . . . . 0.0 109.41 -179.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -60.54 -28.92 68.79 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.511 -0.743 . . . . 0.0 110.597 -179.545 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 61.5 mttp -69.94 -39.85 75.84 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.898 -1.126 . . . . 0.0 110.058 -179.368 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 69.3 m -84.7 -24.26 29.0 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.176 -0.952 . . . . 0.0 109.326 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . 0.586 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 17.3 tt0 . . . . . 0 N--CA 1.493 1.722 0 O-C-N 121.044 -1.035 . . . . 0.0 108.907 179.32 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 37.4 m-85 . . . . . 0 N--CA 1.489 1.506 0 CA-C-O 121.428 0.632 . . . . 0.0 109.981 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 55.9 mt -71.54 -31.09 66.64 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.324 -0.86 . . . . 0.0 112.084 -178.275 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -62.63 -51.85 65.64 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.641 -1.287 . . . . 0.0 110.693 -178.143 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.15 -42.19 77.28 Favored Glycine 0 N--CA 1.491 2.322 0 N-CA-C 109.936 -1.266 . . . . 0.0 109.936 -179.484 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.414 ' O ' ' N ' ' A' ' 9' ' ' GLN . 91.9 mt -59.92 -40.45 82.91 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.547 0 O-C-N 121.412 -1.052 . . . . 0.0 110.105 -179.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -55.45 -47.01 76.73 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 120.897 -1.127 . . . . 0.0 108.855 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 17.4 ttmm -68.43 -44.45 74.95 Favored 'General case' 0 C--N 1.3 -1.56 0 C-N-CA 119.59 -0.844 . . . . 0.0 109.314 179.029 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.19 -36.34 83.74 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.476 -0.765 . . . . 0.0 109.039 179.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.414 ' N ' ' O ' ' A' ' 5' ' ' ILE . 55.4 tt0 -58.84 -40.28 83.76 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.337 -0.852 . . . . 0.0 109.309 -179.401 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -60.67 -39.94 90.24 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.067 -1.021 . . . . 0.0 108.391 178.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.7 tm-20 -60.48 -41.26 93.85 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.334 -0.854 . . . . 0.0 108.875 178.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.537 ' O ' ' N ' ' A' ' 16' ' ' HIS . 17.6 t60 -61.77 -44.77 96.23 Favored 'General case' 0 C--N 1.304 -1.412 0 C-N-CA 119.289 -0.964 . . . . 0.0 109.88 179.76 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.1 tp10 -60.53 -45.28 94.41 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.06 -1.025 . . . . 0.0 110.34 -179.19 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 52.6 mtmt -60.98 -32.2 71.77 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.48 -0.762 . . . . 0.0 112.973 -178.157 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 52.0 m-85 -137.69 -6.02 1.73 Allowed 'General case' 0 N--CA 1.506 2.33 0 O-C-N 120.765 -1.209 . . . . 0.0 112.812 -176.609 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.537 ' N ' ' O ' ' A' ' 12' ' ' HIS . 91.8 m-70 53.97 46.43 25.58 Favored 'General case' 0 N--CA 1.495 1.784 0 N-CA-C 107.33 -1.359 . . . . 0.0 107.33 -177.58 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 87.7 p -69.06 159.68 32.43 Favored 'General case' 0 N--CA 1.486 1.355 0 CA-C-O 121.534 0.683 . . . . 0.0 110.616 -178.253 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -74.16 157.59 35.68 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 179.525 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 50.2 p-90 -59.25 -31.22 68.89 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.047 -1.033 . . . . 0.0 109.841 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 83.6 mtm180 -61.47 -40.67 95.36 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.936 -1.103 . . . . 0.0 108.691 179.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.89 -49.75 55.52 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.354 -0.841 . . . . 0.0 109.038 179.432 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 76.2 mtm -61.48 -41.81 97.83 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.141 -0.975 . . . . 0.0 109.635 179.672 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.525 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -59.92 -43.54 94.86 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.205 -0.935 . . . . 0.0 109.022 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 8.6 t -71.7 -34.78 69.9 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.626 -0.671 . . . . 0.0 109.949 179.449 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -61.77 -42.61 99.21 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.39 -0.819 . . . . 0.0 109.642 -179.41 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -108.2 0.15 21.3 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.64 -0.663 . . . . 0.0 110.227 -179.492 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.525 ' N ' ' O ' ' A' ' 23' ' ' ALA . 75.5 m-20 53.65 48.31 21.86 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.382 -0.824 . . . . 0.0 109.565 179.702 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 83.5 mt -112.34 149.29 40.79 Favored Pre-proline 0 N--CA 1.499 2.006 0 O-C-N 121.172 -0.955 . . . . 0.0 108.981 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_exo -44.66 145.3 2.81 Favored 'Trans proline' 0 N--CA 1.49 1.268 0 C-N-CA 121.785 1.657 . . . . 0.0 111.252 178.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -46.61 -39.19 22.9 Favored 'Trans proline' 0 C--N 1.31 -1.485 0 C-N-CA 121.34 1.36 . . . . 0.0 111.268 178.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 67.1 t -51.91 -48.34 39.96 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.573 0 O-C-N 121.721 -0.612 . . . . 0.0 110.595 -178.476 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 60.7 t -65.19 -48.14 84.78 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.726 0 C-N-CA 118.293 -1.363 . . . . 0.0 109.209 -178.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.96 -46.33 78.51 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.387 -0.821 . . . . 0.0 109.467 179.33 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -60.25 -36.61 78.15 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.021 -1.05 . . . . 0.0 110.583 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.8 tm-20 -62.89 -37.63 87.72 Favored 'General case' 0 N--CA 1.487 1.406 0 C-N-CA 119.306 -0.958 . . . . 0.0 110.064 -179.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 84.4 mt -60.2 -40.04 82.43 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.448 0 O-C-N 120.707 -1.246 . . . . 0.0 109.137 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 77.2 t -63.69 -39.45 85.4 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 178.473 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.411 ' O ' ' OE1' ' A' ' 44' ' ' GLN . . . -59.77 -29.54 68.26 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.345 -0.847 . . . . 0.0 109.093 179.153 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 44.8 m -78.15 -29.43 48.68 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.142 -0.974 . . . . 0.0 109.531 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 38.5 t -80.6 105.71 12.06 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.1 -1.0 . . . . 0.0 109.665 -179.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -61.84 -30.48 70.87 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.307 -0.871 . . . . 0.0 110.37 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -69.84 -39.76 76.25 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.105 -0.997 . . . . 0.0 110.915 -178.411 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 98.5 m -85.66 -35.15 21.09 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 120.658 -1.276 . . . . 0.0 110.389 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.702 HE21 ' CG ' ' B' ' 44' ' ' GLN . 48.1 tt0 . . . . . 0 N--CA 1.497 1.91 0 O-C-N 121.065 -1.022 . . . . 0.0 110.955 -178.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 . . . . . 0 N--CA 1.488 1.437 0 CA-C-O 121.306 0.574 . . . . 0.0 109.977 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 53.3 mt -71.92 -31.18 66.1 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.303 -0.873 . . . . 0.0 112.141 -178.199 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 54.2 t0 -61.74 -51.25 69.11 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 120.541 -1.35 . . . . 0.0 110.923 -178.07 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.52 -42.37 73.14 Favored Glycine 0 N--CA 1.491 2.313 0 N-CA-C 109.664 -1.375 . . . . 0.0 109.664 -179.588 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 91.4 mt -59.34 -40.62 81.94 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.613 0 O-C-N 121.272 -1.134 . . . . 0.0 110.28 -179.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -55.73 -47.58 76.68 Favored 'General case' 0 C--N 1.303 -1.42 0 C-N-CA 119.101 -1.04 . . . . 0.0 108.474 -179.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 17.7 ttmm -68.34 -44.47 75.23 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.407 -0.808 . . . . 0.0 109.392 179.241 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.67 -35.98 82.78 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.384 -0.823 . . . . 0.0 109.087 179.516 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -58.06 -40.6 81.4 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.301 -0.874 . . . . 0.0 109.157 -179.537 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -60.41 -39.87 88.93 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.037 -1.04 . . . . 0.0 108.548 179.192 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 14.2 tm-20 -60.9 -40.74 94.24 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 119.53 -0.868 . . . . 0.0 108.86 179.209 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' HIS . . . . . 0.531 ' O ' ' N ' ' B' ' 16' ' ' HIS . 17.5 t60 -62.23 -44.82 95.71 Favored 'General case' 0 C--N 1.301 -1.503 0 C-N-CA 119.277 -0.969 . . . . 0.0 109.94 179.602 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 46.1 tp10 -60.69 -45.01 95.82 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.09 -1.006 . . . . 0.0 110.221 -179.391 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 52.5 mtmt -61.02 -32.54 72.14 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.295 -0.878 . . . . 0.0 112.886 -178.226 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 49.7 m-85 -137.26 -6.28 1.81 Allowed 'General case' 0 N--CA 1.509 2.505 0 O-C-N 120.667 -1.27 . . . . 0.0 112.903 -176.556 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.531 ' N ' ' O ' ' B' ' 12' ' ' HIS . 91.4 m-70 54.27 46.41 25.25 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 120.586 -1.321 . . . . 0.0 107.446 -177.587 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 88.6 p -68.61 159.43 32.01 Favored 'General case' 0 C--N 1.302 -1.467 0 CA-C-O 121.487 0.66 . . . . 0.0 110.608 -178.464 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -74.52 157.32 35.71 Favored 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 179.199 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 49.7 p-90 -58.89 -31.41 68.58 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 120.98 -1.075 . . . . 0.0 109.841 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 83.0 mtm180 -61.31 -40.53 94.54 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.866 -1.146 . . . . 0.0 108.768 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.95 -48.9 62.06 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.345 -0.847 . . . . 0.0 109.128 179.246 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 76.2 mtm -62.08 -41.81 98.56 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.095 -1.003 . . . . 0.0 109.699 179.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.524 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -59.71 -43.27 94.19 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.166 -0.959 . . . . 0.0 109.014 179.764 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 9.0 t -71.77 -34.93 69.86 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.528 -0.733 . . . . 0.0 110.079 179.67 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -61.49 -42.95 99.56 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.461 -0.774 . . . . 0.0 109.72 -179.277 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -108.45 -0.02 20.75 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.698 -0.626 . . . . 0.0 110.276 -179.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.524 ' N ' ' O ' ' B' ' 23' ' ' ALA . 77.5 m-20 54.2 47.46 23.09 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.388 -0.82 . . . . 0.0 109.642 179.582 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 82.1 mt -111.38 149.41 40.58 Favored Pre-proline 0 N--CA 1.499 1.982 0 O-C-N 121.28 -0.887 . . . . 0.0 109.624 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_exo -44.1 144.14 2.91 Favored 'Trans proline' 0 N--CA 1.488 1.15 0 C-N-CA 121.654 1.569 . . . . 0.0 111.386 178.516 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -45.7 -39.28 18.07 Favored 'Trans proline' 0 C--N 1.312 -1.389 0 C-N-CA 121.435 1.423 . . . . 0.0 111.062 178.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 69.0 t -51.84 -49.37 36.89 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.58 0 O-C-N 121.822 -0.549 . . . . 0.0 110.635 -178.553 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 58.8 t -64.72 -47.88 86.88 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.935 0 C-N-CA 118.315 -1.354 . . . . 0.0 109.22 -178.612 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.03 -46.38 78.07 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.084 -1.01 . . . . 0.0 109.594 179.139 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -60.24 -36.4 77.66 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.151 -0.968 . . . . 0.0 110.546 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 13.5 tm-20 -63.13 -37.86 88.89 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 120.915 -1.116 . . . . 0.0 109.922 -179.038 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 87.7 mt -59.58 -40.19 81.4 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.399 0 O-C-N 120.947 -1.096 . . . . 0.0 109.029 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 78.1 t -63.56 -39.27 84.73 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 178.587 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . 0.555 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -59.83 -30.1 68.72 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.415 -0.803 . . . . 0.0 108.928 179.07 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 35.4 m -77.67 -28.98 51.32 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.06 -1.025 . . . . 0.0 109.681 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 40.3 t -81.34 105.22 12.35 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.261 -0.9 . . . . 0.0 109.554 -179.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -61.36 -30.82 70.76 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.612 -0.68 . . . . 0.0 110.305 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -69.5 -39.75 77.41 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 120.977 -1.077 . . . . 0.0 111.199 -178.339 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 91.4 m -85.81 -35.57 20.59 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 120.813 -1.18 . . . . 0.0 110.136 -179.627 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . 0.702 ' CG ' HE21 ' A' ' 44' ' ' GLN . 6.2 tt0 . . . . . 0 N--CA 1.498 1.961 0 O-C-N 120.643 -1.286 . . . . 0.0 111.167 -178.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 . . . . . 0 N--CA 1.491 1.583 0 CA-C-O 121.442 0.639 . . . . 0.0 110.245 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 25.0 mt -70.1 -29.97 67.07 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.503 -0.748 . . . . 0.0 111.681 -177.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -62.57 -52.39 63.6 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.431 -1.418 . . . . 0.0 111.45 -178.039 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.89 -43.77 57.48 Favored Glycine 0 N--CA 1.489 2.201 0 N-CA-C 110.077 -1.209 . . . . 0.0 110.077 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.439 ' O ' ' N ' ' A' ' 9' ' ' GLN . 96.0 mt -58.7 -40.22 78.82 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.549 0 O-C-N 121.053 -1.263 . . . . 0.0 109.942 -179.523 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 57.0 t0 -56.23 -44.44 79.59 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 120.837 -1.165 . . . . 0.0 108.925 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.2 ttmp? -68.48 -46.24 70.25 Favored 'General case' 0 N--CA 1.494 1.759 0 C-N-CA 119.34 -0.944 . . . . 0.0 109.044 178.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.29 -34.91 78.71 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.496 -0.753 . . . . 0.0 109.453 179.527 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.439 ' N ' ' O ' ' A' ' 5' ' ' ILE . 6.7 tt0 -58.64 -39.88 81.83 Favored 'General case' 0 C--N 1.305 -1.347 0 O-C-N 121.313 -0.867 . . . . 0.0 109.35 -179.102 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -60.73 -39.78 89.92 Favored 'General case' 0 C--N 1.305 -1.349 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 178.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.8 tm-20 -60.5 -40.72 92.39 Favored 'General case' 0 N--CA 1.492 1.644 0 N-CA-C 108.223 -1.029 . . . . 0.0 108.223 179.132 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.551 ' O ' ' N ' ' A' ' 16' ' ' HIS . 16.3 t60 -62.55 -47.26 84.66 Favored 'General case' 0 C--N 1.306 -1.311 0 C-N-CA 119.261 -0.976 . . . . 0.0 109.752 179.643 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 76.0 tt0 -59.53 -45.58 91.34 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.053 -1.029 . . . . 0.0 110.244 -178.258 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 52.4 mtpt -60.69 -30.8 70.15 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.207 -0.933 . . . . 0.0 113.403 -178.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -138.85 -5.79 1.49 Allowed 'General case' 0 N--CA 1.507 2.397 0 O-C-N 120.515 -1.365 . . . . 0.0 112.519 -176.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.551 ' N ' ' O ' ' A' ' 12' ' ' HIS . 93.0 m-70 54.89 42.35 31.17 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 -177.653 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 96.3 p -61.05 156.45 17.9 Favored 'General case' 0 C--N 1.302 -1.481 0 C-N-CA 120.105 -0.638 . . . . 0.0 109.983 -179.06 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 33.5 m120 -73.06 155.08 40.13 Favored 'General case' 0 C--N 1.305 -1.344 0 O-C-N 121.264 -0.897 . . . . 0.0 109.425 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 34.0 p-90 -55.96 -29.42 60.18 Favored 'General case' 0 C--N 1.298 -1.655 0 C-N-CA 119.126 -1.03 . . . . 0.0 109.357 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 84.6 mtm180 -63.89 -40.78 97.33 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 120.86 -1.15 . . . . 0.0 110.209 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.02 -47.36 68.65 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.217 -0.927 . . . . 0.0 109.976 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 77.9 mtm -60.68 -38.36 84.68 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.065 -1.022 . . . . 0.0 109.615 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.505 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -56.67 -49.31 75.46 Favored 'General case' 0 C--N 1.301 -1.529 0 C-N-CA 118.993 -1.083 . . . . 0.0 108.532 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 21.5 t -69.85 -35.2 74.53 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.43 -0.794 . . . . 0.0 110.37 -179.642 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 58.4 t0 -59.07 -46.57 87.94 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.226 -0.921 . . . . 0.0 110.202 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -108.41 3.31 23.14 Favored 'General case' 0 N--CA 1.502 2.126 0 O-C-N 121.261 -0.899 . . . . 0.0 110.43 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.505 ' N ' ' O ' ' A' ' 23' ' ' ALA . 81.9 m-20 55.94 44.89 24.95 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.17 -0.956 . . . . 0.0 109.695 179.418 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 60.7 mt -108.54 152.28 42.03 Favored Pre-proline 0 N--CA 1.501 2.112 0 N-CA-C 107.683 -1.229 . . . . 0.0 107.683 179.437 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_endo -63.52 151.42 85.08 Favored 'Trans proline' 0 N--CA 1.49 1.313 0 C-N-CA 121.391 1.394 . . . . 0.0 111.26 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_exo -43.26 -38.78 8.24 Favored 'Trans proline' 0 N--CA 1.491 1.372 0 C-N-CA 122.463 2.109 . . . . 0.0 111.914 179.431 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 25.6 t -51.71 -51.5 26.75 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.63 0 O-C-N 121.417 -0.802 . . . . 0.0 110.471 -178.681 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.43 HG13 HD11 ' A' ' 5' ' ' ILE . 91.8 t -65.89 -46.85 87.38 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.753 0 C-N-CA 118.702 -1.199 . . . . 0.0 109.647 -178.523 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.72 -44.34 81.85 Favored 'General case' 0 C--N 1.299 -1.618 0 C-N-CA 119.584 -0.846 . . . . 0.0 109.983 -179.539 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.516 ' NZ ' ' OE2' ' B' ' 35' ' ' GLU . 10.2 mtpm? -61.21 -37.37 82.74 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.201 -0.937 . . . . 0.0 110.307 -179.775 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.42 ' OE2' ' NZ ' ' B' ' 34' ' ' LYS . 14.2 tm-20 -61.04 -36.91 80.82 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.883 -1.135 . . . . 0.0 109.77 -178.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 84.2 mt -59.72 -39.63 80.22 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.405 0 O-C-N 120.855 -1.153 . . . . 0.0 108.38 179.285 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 81.3 t -63.45 -39.37 85.07 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 O-C-N 121.303 -0.873 . . . . 0.0 109.097 179.362 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.44 ' O ' ' OE1' ' A' ' 44' ' ' GLN . . . -59.83 -33.94 72.43 Favored 'General case' 0 C--N 1.3 -1.568 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 179.532 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 34.8 m -74.53 -29.92 61.57 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.16 -0.962 . . . . 0.0 109.727 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 50.7 t -82.16 103.17 11.57 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.16 -0.963 . . . . 0.0 109.173 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -60.15 -30.01 69.03 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 120.967 -1.083 . . . . 0.0 110.373 -179.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -69.2 -38.73 78.78 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 120.888 -1.133 . . . . 0.0 110.922 -178.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 94.2 m -90.55 -14.96 31.52 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.216 -0.928 . . . . 0.0 109.65 179.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.44 ' OE1' ' O ' ' A' ' 38' ' ' ALA . 35.1 tt0 . . . . . 0 N--CA 1.497 1.89 0 O-C-N 121.184 -0.947 . . . . 0.0 109.562 -178.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 . . . . . 0 N--CA 1.495 1.791 0 CA-C-O 121.476 0.655 . . . . 0.0 110.082 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 26.6 mt -70.33 -29.85 66.66 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.204 -0.935 . . . . 0.0 111.192 -178.095 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -62.37 -54.57 38.49 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 120.549 -1.345 . . . . 0.0 111.334 -178.173 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.7 -44.26 71.49 Favored Glycine 0 N--CA 1.493 2.485 0 N-CA-C 109.816 -1.313 . . . . 0.0 109.816 -179.528 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . 0.443 ' O ' ' N ' ' B' ' 9' ' ' GLN . 96.8 mt -58.78 -40.03 78.61 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.384 0 O-C-N 121.382 -1.07 . . . . 0.0 110.274 -179.264 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 57.1 t0 -57.35 -43.73 83.73 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 120.722 -1.236 . . . . 0.0 108.112 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 4.4 ttmp? -68.15 -47.59 67.66 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 118.947 -1.101 . . . . 0.0 109.238 178.563 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.43 -35.27 79.89 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.482 -0.761 . . . . 0.0 109.476 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' B' ' 5' ' ' ILE . 6.9 tt0 -56.98 -39.68 75.09 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.276 -0.89 . . . . 0.0 109.335 -179.327 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -60.58 -40.64 92.44 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 178.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 14.0 tm-20 -59.27 -41.56 89.15 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.182 -0.949 . . . . 0.0 108.756 179.255 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' HIS . . . . . 0.582 ' O ' ' N ' ' B' ' 16' ' ' HIS . 17.5 t60 -61.56 -47.1 87.05 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.118 -0.989 . . . . 0.0 109.962 179.737 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -59.75 -45.01 93.54 Favored 'General case' 0 C--N 1.293 -1.852 0 O-C-N 121.091 -1.005 . . . . 0.0 110.627 -178.517 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 52.4 mtpt -60.96 -33.26 72.92 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.484 -0.76 . . . . 0.0 112.988 -178.49 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -136.37 -5.32 2.05 Favored 'General case' 0 N--CA 1.506 2.354 0 O-C-N 120.781 -1.199 . . . . 0.0 112.416 -176.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.582 ' N ' ' O ' ' B' ' 12' ' ' HIS . 93.1 m-70 54.88 40.71 32.11 Favored 'General case' 0 N--CA 1.499 2.001 0 N-CA-C 107.33 -1.359 . . . . 0.0 107.33 -177.493 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 90.9 p -59.52 154.04 18.24 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.638 -0.664 . . . . 0.0 110.216 -179.026 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 35.6 m120 -71.53 155.96 39.97 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.488 -0.757 . . . . 0.0 108.983 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 40.1 p-90 -57.25 -29.08 63.51 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.795 -1.191 . . . . 0.0 109.729 -179.642 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 83.6 mtm180 -63.04 -39.96 96.29 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.03 -1.044 . . . . 0.0 110.322 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.93 -47.34 62.79 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.403 -0.811 . . . . 0.0 110.136 -179.621 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 78.0 mtm -60.53 -38.38 84.26 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.24 -0.912 . . . . 0.0 108.953 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.496 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -56.76 -49.74 74.36 Favored 'General case' 0 N--CA 1.49 1.56 0 C-N-CA 119.597 -0.841 . . . . 0.0 109.454 179.444 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 16.8 t -70.03 -33.73 72.36 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.147 -0.97 . . . . 0.0 110.038 179.583 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -59.62 -46.25 89.52 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.985 -1.072 . . . . 0.0 109.922 -179.089 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -109.43 3.37 21.34 Favored 'General case' 0 N--CA 1.503 2.211 0 O-C-N 121.459 -0.776 . . . . 0.0 110.547 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.496 ' N ' ' O ' ' B' ' 23' ' ' ALA . 79.8 m-20 55.42 48.04 19.86 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.013 -1.054 . . . . 0.0 109.687 179.553 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 62.5 mt -111.56 151.4 43.29 Favored Pre-proline 0 N--CA 1.503 2.186 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 179.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_endo -62.0 151.11 83.48 Favored 'Trans proline' 0 C--N 1.314 -1.289 0 C-N-CA 121.008 1.138 . . . . 0.0 111.619 -179.561 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_exo -43.3 -39.09 8.61 Favored 'Trans proline' 0 N--CA 1.493 1.467 0 C-N-CA 122.588 2.192 . . . . 0.0 111.35 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 23.8 t -51.01 -53.8 12.91 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.736 0 O-C-N 121.625 -0.672 . . . . 0.0 110.301 -178.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . 0.407 HG13 HD11 ' B' ' 5' ' ' ILE . 94.1 t -63.79 -46.9 93.17 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.85 0 C-N-CA 118.588 -1.245 . . . . 0.0 110.134 -178.564 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.16 -42.99 83.39 Favored 'General case' 0 C--N 1.299 -1.624 0 C-N-CA 119.494 -0.883 . . . . 0.0 109.873 -179.594 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.42 ' NZ ' ' OE2' ' A' ' 35' ' ' GLU . 10.2 mtpm? -62.7 -35.49 79.88 Favored 'General case' 0 N--CA 1.486 1.363 0 O-C-N 120.851 -1.155 . . . . 0.0 110.325 -179.437 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . 0.516 ' OE2' ' NZ ' ' A' ' 34' ' ' LYS . 15.1 tm-20 -62.39 -36.46 82.38 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 120.834 -1.166 . . . . 0.0 109.757 -179.239 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 82.9 mt -60.49 -39.91 82.68 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.465 0 C-N-CA 119.169 -1.012 . . . . 0.0 108.28 179.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 76.7 t -63.24 -39.36 84.96 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.584 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 178.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . 0.546 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -60.27 -33.05 71.77 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.543 -0.723 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 36.1 m -76.68 -27.72 55.67 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.261 -0.9 . . . . 0.0 109.801 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 51.6 t -82.54 104.76 13.05 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.053 -1.03 . . . . 0.0 109.2 179.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -61.48 -29.32 69.9 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.337 -0.852 . . . . 0.0 110.491 -179.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -70.27 -39.27 75.05 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.109 -0.995 . . . . 0.0 110.524 -178.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 84.0 m -89.71 -16.25 30.79 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.264 -0.898 . . . . 0.0 109.696 179.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . 0.546 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 22.6 tt0 . . . . . 0 N--CA 1.496 1.839 0 O-C-N 121.141 -0.975 . . . . 0.0 110.205 -179.405 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . 0.517 ' O ' HD12 ' A' ' 5' ' ' ILE . 76.2 m-85 . . . . . 0 N--CA 1.49 1.55 0 CA-C-O 121.123 0.487 . . . . 0.0 109.905 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 37.0 mt -72.12 -34.89 68.92 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.313 -0.867 . . . . 0.0 111.854 -178.245 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -62.22 -47.85 82.61 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.728 -1.232 . . . . 0.0 110.85 -178.244 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.06 -43.24 49.16 Favored Glycine 0 N--CA 1.494 2.546 0 N-CA-C 109.168 -1.573 . . . . 0.0 109.168 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.517 HD12 ' O ' ' A' ' 1' ' ' PHE . 80.1 mt -59.49 -39.43 79.22 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.486 0 O-C-N 121.235 -1.156 . . . . 0.0 109.697 179.711 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 51.7 t0 -55.45 -49.31 72.79 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 120.746 -1.221 . . . . 0.0 109.055 -179.604 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 58.1 mttm -68.96 -40.04 79.14 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 120.899 -1.126 . . . . 0.0 109.504 179.183 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.46 -35.58 77.77 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.274 -0.891 . . . . 0.0 109.747 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.458 ' N ' ' O ' ' A' ' 5' ' ' ILE . 53.4 tt0 -59.49 -40.06 85.78 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 108.585 -0.895 . . . . 0.0 108.585 -179.631 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 74.5 tt0 -61.08 -41.95 97.59 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.019 -1.051 . . . . 0.0 108.64 178.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.6 tm-20 -60.73 -40.25 91.67 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.544 -0.722 . . . . 0.0 109.085 179.49 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.545 ' O ' ' N ' ' A' ' 16' ' ' HIS . 14.7 t60 -60.79 -46.12 91.73 Favored 'General case' 0 C--N 1.304 -1.398 0 C-N-CA 119.575 -0.85 . . . . 0.0 109.688 179.611 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -60.24 -44.35 95.32 Favored 'General case' 0 C--N 1.297 -1.704 0 O-C-N 121.39 -0.819 . . . . 0.0 109.985 -179.619 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 50.5 mtmt -61.88 -31.44 71.72 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.467 -0.77 . . . . 0.0 112.963 -178.287 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 65.1 m-85 -138.18 -7.42 1.57 Allowed 'General case' 0 N--CA 1.506 2.349 0 O-C-N 120.755 -1.216 . . . . 0.0 112.541 -176.622 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.545 ' N ' ' O ' ' A' ' 12' ' ' HIS . 87.5 m-70 54.62 40.67 32.02 Favored 'General case' 0 N--CA 1.497 1.888 0 N-CA-C 107.235 -1.395 . . . . 0.0 107.235 -177.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 89.7 p -64.05 156.85 26.88 Favored 'General case' 0 N--CA 1.488 1.427 0 CA-C-O 121.45 0.643 . . . . 0.0 111.033 -178.118 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -71.05 157.92 37.38 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.473 -0.767 . . . . 0.0 109.099 179.289 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 54.0 p-90 -57.1 -29.66 63.69 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.245 -0.91 . . . . 0.0 110.318 -179.57 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 75.6 mtm180 -63.15 -40.51 97.78 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.86 -1.15 . . . . 0.0 109.885 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.34 -49.04 65.72 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.198 -0.939 . . . . 0.0 109.441 -179.427 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 79.4 mtm -61.19 -40.47 94.05 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.145 -0.972 . . . . 0.0 109.41 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.475 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -57.66 -45.99 84.8 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 119.394 -0.923 . . . . 0.0 109.26 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 20.4 m -69.94 -38.52 76.19 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.388 -0.82 . . . . 0.0 110.428 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -60.18 -40.38 89.78 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.097 -1.002 . . . . 0.0 110.607 -178.563 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -111.36 3.15 18.02 Favored 'General case' 0 N--CA 1.503 2.212 0 O-C-N 121.206 -0.934 . . . . 0.0 110.023 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.475 ' N ' ' O ' ' A' ' 23' ' ' ALA . 82.2 m-20 55.79 42.6 28.91 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.362 -0.836 . . . . 0.0 110.279 179.699 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 69.8 mt -106.74 149.9 39.02 Favored Pre-proline 0 N--CA 1.498 1.974 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 179.257 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_endo -60.83 153.68 61.21 Favored 'Trans proline' 0 N--CA 1.493 1.482 0 C-N-CA 121.842 1.694 . . . . 0.0 112.082 -179.285 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_exo -43.11 -41.46 9.46 Favored 'Trans proline' 0 C--N 1.312 -1.382 0 C-N-CA 122.489 2.126 . . . . 0.0 112.767 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.8 t -52.6 -50.11 42.01 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.809 0 O-C-N 121.191 -0.943 . . . . 0.0 110.385 -177.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 57.9 t -65.77 -48.29 82.77 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.932 0 C-N-CA 118.716 -1.194 . . . . 0.0 109.184 -178.571 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.59 -46.76 78.15 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.282 -0.886 . . . . 0.0 109.929 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 88.2 mttt -61.52 -36.12 79.66 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 120.976 -1.078 . . . . 0.0 110.505 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.4 tm-20 -60.72 -39.92 90.4 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 120.857 -1.152 . . . . 0.0 109.979 -179.25 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 73.0 mt -59.63 -40.14 81.41 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 O-C-N 121.141 -0.975 . . . . 0.0 108.829 179.725 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 89.7 t -63.09 -40.03 87.5 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.4 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 179.394 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.15 -30.77 70.59 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.48 -0.762 . . . . 0.0 109.626 179.607 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.4 m -77.57 -27.08 51.34 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.037 -1.039 . . . . 0.0 109.206 -179.699 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 42.6 t -80.92 104.17 11.24 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.162 -0.961 . . . . 0.0 109.761 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -60.02 -30.88 69.45 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.576 -0.702 . . . . 0.0 110.048 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 42.6 mtpt -71.19 -40.19 71.37 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.05 -1.031 . . . . 0.0 111.081 -178.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 69.4 m -84.75 -19.16 33.08 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 120.687 -1.258 . . . . 0.0 110.161 -179.473 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 . . . . . 0 N--CA 1.491 1.611 0 O-C-N 121.093 -1.004 . . . . 0.0 109.341 -179.725 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . 0.512 ' O ' HD12 ' B' ' 5' ' ' ILE . 75.0 m-85 . . . . . 0 N--CA 1.487 1.423 0 CA-C-O 121.305 0.574 . . . . 0.0 109.94 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 33.9 mt -72.44 -33.37 67.02 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.299 -0.876 . . . . 0.0 111.783 -178.544 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -63.46 -48.0 79.49 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 120.713 -1.242 . . . . 0.0 110.494 -178.295 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.7 -43.34 51.9 Favored Glycine 0 N--CA 1.492 2.412 0 N-CA-C 109.307 -1.517 . . . . 0.0 109.307 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . 0.512 HD12 ' O ' ' B' ' 1' ' ' PHE . 78.1 mt -59.6 -39.38 79.33 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.461 0 O-C-N 121.661 -0.905 . . . . 0.0 109.624 179.728 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -55.69 -48.25 75.43 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 120.854 -1.154 . . . . 0.0 109.063 -179.405 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 59.1 mttm -69.65 -40.91 76.22 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 120.944 -1.097 . . . . 0.0 109.51 179.248 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.18 -35.04 77.4 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.359 -0.838 . . . . 0.0 109.929 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' B' ' 5' ' ' ILE . 53.1 tt0 -59.48 -39.81 84.93 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.021 -1.049 . . . . 0.0 108.771 -179.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 74.6 tt0 -61.14 -41.98 97.72 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.267 -0.896 . . . . 0.0 108.616 178.687 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 12.5 tm-20 -60.51 -40.41 91.32 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.503 -0.748 . . . . 0.0 109.093 179.663 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' HIS . . . . . 0.526 ' O ' ' N ' ' B' ' 16' ' ' HIS . 15.6 t60 -60.73 -45.7 93.26 Favored 'General case' 0 C--N 1.305 -1.366 0 C-N-CA 119.516 -0.874 . . . . 0.0 109.834 179.482 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -60.44 -44.61 95.65 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.202 -0.936 . . . . 0.0 109.901 -179.625 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 50.7 mtmt -61.23 -32.45 72.24 Favored 'General case' 0 N--CA 1.495 1.786 0 N-CA-C 113.157 0.799 . . . . 0.0 113.157 -178.456 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 63.3 m-85 -137.12 -7.16 1.81 Allowed 'General case' 0 N--CA 1.507 2.417 0 O-C-N 120.741 -1.224 . . . . 0.0 112.466 -176.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.526 ' N ' ' O ' ' B' ' 12' ' ' HIS . 85.7 m-70 54.46 39.83 31.34 Favored 'General case' 0 N--CA 1.495 1.795 0 N-CA-C 107.087 -1.449 . . . . 0.0 107.087 -177.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 88.3 p -62.95 156.91 23.1 Favored 'General case' 0 N--CA 1.488 1.447 0 CA-C-O 121.523 0.678 . . . . 0.0 111.249 -178.342 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -70.84 158.25 36.71 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 179.281 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 54.7 p-90 -57.44 -30.19 64.81 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.197 -0.939 . . . . 0.0 110.171 -179.47 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 75.7 mtm180 -62.92 -40.26 97.07 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.821 -1.174 . . . . 0.0 109.94 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.01 -49.07 66.45 Favored 'General case' 0 C--N 1.299 -1.587 0 O-C-N 121.172 -0.955 . . . . 0.0 109.412 -179.426 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 79.0 mtm -61.54 -40.12 93.53 Favored 'General case' 0 C--N 1.298 -1.66 0 O-C-N 121.099 -1.001 . . . . 0.0 109.817 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.468 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -58.13 -45.29 87.6 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.203 -0.936 . . . . 0.0 109.512 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 25.3 m -70.01 -38.77 76.03 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.251 -0.906 . . . . 0.0 110.634 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -60.06 -40.57 89.95 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.312 -0.868 . . . . 0.0 110.533 -178.334 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -111.14 1.64 17.41 Favored 'General case' 0 N--CA 1.502 2.127 0 O-C-N 121.383 -0.823 . . . . 0.0 110.135 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.468 ' N ' ' O ' ' B' ' 23' ' ' ALA . 81.1 m-20 56.75 42.94 26.02 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.633 -0.667 . . . . 0.0 110.27 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 73.4 mt -106.52 149.52 38.44 Favored Pre-proline 0 N--CA 1.496 1.869 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 179.31 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_endo -61.23 154.05 60.74 Favored 'Trans proline' 0 N--CA 1.494 1.542 0 C-N-CA 121.829 1.686 . . . . 0.0 111.975 -179.087 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -43.33 -40.7 9.87 Favored 'Trans proline' 0 C--N 1.314 -1.274 0 C-N-CA 122.515 2.144 . . . . 0.0 112.625 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 57.3 t -53.67 -50.25 51.89 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.749 0 C-N-CA 119.511 -0.876 . . . . 0.0 110.523 -177.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 59.2 t -65.59 -47.44 86.34 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.945 0 C-N-CA 118.617 -1.233 . . . . 0.0 109.36 -178.712 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.83 -47.74 74.0 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.27 -0.894 . . . . 0.0 109.974 179.719 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -61.01 -35.48 76.97 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 121.202 -0.936 . . . . 0.0 110.526 -179.548 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.9 tm-20 -60.73 -39.86 90.23 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.858 -1.151 . . . . 0.0 109.996 -179.394 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 74.5 mt -60.3 -39.69 81.6 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.297 0 O-C-N 120.991 -1.068 . . . . 0.0 108.849 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 89.3 t -63.23 -40.15 87.95 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.514 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 179.43 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . 0.436 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -61.33 -30.76 70.71 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.612 -0.68 . . . . 0.0 109.731 179.348 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 15.3 m -77.42 -26.19 51.44 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.208 -0.933 . . . . 0.0 109.11 -179.607 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 43.6 t -81.77 104.46 12.17 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 119.942 -0.703 . . . . 0.0 109.776 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -60.37 -31.64 70.53 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.448 -0.782 . . . . 0.0 110.147 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 42.7 mtpt -70.26 -40.02 74.63 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.016 -1.053 . . . . 0.0 111.209 -178.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 67.5 m -85.2 -19.35 31.82 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 120.681 -1.262 . . . . 0.0 110.353 -179.262 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . 0.436 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 12.3 tt0 . . . . . 0 N--CA 1.49 1.543 0 O-C-N 121.145 -0.972 . . . . 0.0 109.113 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . 0.532 ' CE2' ' CE2' ' B' ' 1' ' ' PHE . 62.7 m-85 . . . . . 0 N--CA 1.493 1.677 0 CA-C-O 121.578 0.704 . . . . 0.0 109.631 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 43.2 mt -72.52 -41.4 65.92 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.496 -0.753 . . . . 0.0 110.865 -178.464 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 60.8 t0 -63.83 -53.55 48.9 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 120.897 -1.127 . . . . 0.0 110.895 -179.067 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.18 -45.05 96.74 Favored Glycine 0 N--CA 1.495 2.576 0 N-CA-C 110.396 -1.081 . . . . 0.0 110.396 -179.288 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.419 HD11 HG11 ' B' ' 31' ' ' VAL . 68.9 mt -59.57 -39.02 78.32 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.31 -1.112 . . . . 0.0 110.524 -179.607 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -55.46 -45.32 76.91 Favored 'General case' 0 C--N 1.302 -1.485 0 C-N-CA 118.876 -1.13 . . . . 0.0 109.422 -179.129 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -69.93 -43.43 71.67 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.149 -0.97 . . . . 0.0 109.112 179.452 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.32 -34.97 79.19 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 119.584 -0.847 . . . . 0.0 109.681 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -58.44 -41.4 85.0 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 120.98 -1.075 . . . . 0.0 109.628 -179.037 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -62.12 -41.21 98.01 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.838 -1.164 . . . . 0.0 108.693 179.027 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -60.0 -40.69 90.05 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 179.031 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.552 ' O ' ' N ' ' A' ' 16' ' ' HIS . 13.5 t60 -61.76 -47.5 84.9 Favored 'General case' 0 C--N 1.306 -1.304 0 CA-C-O 121.572 0.701 . . . . 0.0 110.117 179.648 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.2 tp10 -60.72 -41.56 95.55 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 120.922 -1.111 . . . . 0.0 109.861 -179.116 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -60.88 -31.92 71.38 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.498 -0.751 . . . . 0.0 112.367 -178.547 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -140.07 -4.93 1.31 Allowed 'General case' 0 N--CA 1.508 2.432 0 O-C-N 120.722 -1.236 . . . . 0.0 112.788 -177.089 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.552 ' N ' ' O ' ' A' ' 12' ' ' HIS . 90.0 m-70 54.04 42.33 31.66 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 120.191 -1.568 . . . . 0.0 107.309 -177.605 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 93.9 p -63.92 156.89 26.33 Favored 'General case' 0 C--N 1.303 -1.442 0 CA-C-O 121.553 0.692 . . . . 0.0 110.709 -178.494 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -73.05 156.22 38.98 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.371 -0.831 . . . . 0.0 109.288 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 36.1 p-90 -54.46 -30.56 53.28 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.093 -1.004 . . . . 0.0 110.242 -179.247 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 59.5 mtp180 -61.05 -40.25 92.92 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.902 -1.124 . . . . 0.0 109.529 -179.695 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.85 -50.02 53.45 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.406 -0.809 . . . . 0.0 109.695 -179.732 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 78.6 mtm -60.79 -39.72 89.96 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.216 -0.927 . . . . 0.0 109.662 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.523 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -60.4 -47.34 86.49 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.147 -0.97 . . . . 0.0 109.149 179.583 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 62.8 m -69.38 -36.0 76.37 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.363 -0.836 . . . . 0.0 110.14 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -61.38 -41.53 97.24 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.135 -0.978 . . . . 0.0 109.902 -179.41 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.47 ' O ' ' OD1' ' A' ' 27' ' ' ASN . 96.7 m-85 -110.25 5.67 21.94 Favored 'General case' 0 N--CA 1.502 2.169 0 O-C-N 121.432 -0.793 . . . . 0.0 110.044 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.562 ' ND2' ' O ' ' A' ' 27' ' ' ASN . 1.9 p-10 49.63 42.84 23.82 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.574 -0.704 . . . . 0.0 110.843 179.719 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.407 HD13 HG11 ' A' ' 32' ' ' VAL . 79.5 mt -106.83 146.38 32.99 Favored Pre-proline 0 N--CA 1.503 2.193 0 O-C-N 120.912 -1.117 . . . . 0.0 109.205 179.492 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_exo -47.42 144.98 9.17 Favored 'Trans proline' 0 N--CA 1.493 1.444 0 C-N-CA 121.416 1.411 . . . . 0.0 111.08 178.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_exo -43.45 -33.83 4.54 Favored 'Trans proline' 0 C--N 1.315 -1.209 0 C-N-CA 121.865 1.71 . . . . 0.0 111.575 179.53 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.551 HG11 HD11 ' B' ' 5' ' ' ILE . 53.1 t -51.2 -51.83 21.2 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.615 0 O-C-N 121.764 -0.585 . . . . 0.0 110.628 -178.279 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.407 HG11 HD13 ' A' ' 28' ' ' LEU . 93.1 t -64.5 -49.25 81.51 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.801 0 C-N-CA 118.939 -1.104 . . . . 0.0 109.315 -178.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.86 -45.8 87.81 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.571 -0.706 . . . . 0.0 109.717 179.718 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.3 mtpm? -61.24 -36.21 79.35 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.066 -1.021 . . . . 0.0 109.882 179.579 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -62.09 -38.61 89.51 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.111 -0.993 . . . . 0.0 110.392 -179.446 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 66.3 mt -60.44 -39.24 80.49 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 120.817 -1.177 . . . . 0.0 108.666 -179.649 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 71.7 t -61.74 -39.09 82.06 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.546 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 178.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.55 -33.42 72.64 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 179.087 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 21.8 m -76.03 -29.82 58.22 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.319 -0.863 . . . . 0.0 109.749 -179.652 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 43.1 t -82.33 101.66 10.72 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.339 -0.85 . . . . 0.0 109.548 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -60.93 -29.97 69.93 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.427 -0.796 . . . . 0.0 110.151 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -69.19 -41.15 77.54 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.075 -1.015 . . . . 0.0 110.348 -178.752 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 57.8 m -82.27 -30.0 30.91 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.937 -1.102 . . . . 0.0 109.574 179.569 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 39.4 tt0 . . . . . 0 N--CA 1.49 1.574 0 O-C-N 121.092 -1.005 . . . . 0.0 108.917 -179.886 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . 0.532 ' CE2' ' CE2' ' A' ' 1' ' ' PHE . 65.2 m-85 . . . . . 0 N--CA 1.492 1.625 0 CA-C-O 121.572 0.701 . . . . 0.0 109.61 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 42.1 mt -73.41 -40.48 64.24 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.617 -0.677 . . . . 0.0 111.193 -178.149 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 62.6 t0 -64.35 -53.4 49.25 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.964 -1.085 . . . . 0.0 110.563 -179.071 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.28 -45.05 96.82 Favored Glycine 0 N--CA 1.493 2.436 0 N-CA-C 110.303 -1.119 . . . . 0.0 110.303 -179.219 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . 0.551 HD11 HG11 ' A' ' 31' ' ' VAL . 72.8 mt -59.91 -38.3 75.79 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 121.297 -1.119 . . . . 0.0 110.402 -179.398 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -56.2 -44.95 79.97 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 120.743 -1.223 . . . . 0.0 109.332 -179.045 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -70.47 -42.96 70.73 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 120.956 -1.09 . . . . 0.0 109.253 179.415 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.8 -35.44 80.08 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.285 -0.884 . . . . 0.0 109.45 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -57.91 -41.13 81.98 Favored 'General case' 0 C--N 1.303 -1.45 0 C-N-CA 119.221 -0.992 . . . . 0.0 109.565 -179.193 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -62.87 -40.94 99.03 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.954 -1.091 . . . . 0.0 108.944 179.088 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -60.43 -39.98 89.44 Favored 'General case' 0 N--CA 1.49 1.553 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 178.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' HIS . . . . . 0.533 ' O ' ' N ' ' B' ' 16' ' ' HIS . 13.7 t60 -61.85 -48.07 82.21 Favored 'General case' 0 C--N 1.306 -1.285 0 O-C-N 121.451 -0.78 . . . . 0.0 110.113 179.633 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 35.0 tp10 -59.75 -41.73 91.62 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 120.973 -1.079 . . . . 0.0 110.209 -179.154 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 55.1 mtpt -60.8 -33.09 72.47 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.534 -0.729 . . . . 0.0 112.5 -178.432 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -138.9 -4.49 1.55 Allowed 'General case' 0 N--CA 1.508 2.44 0 O-C-N 120.708 -1.245 . . . . 0.0 112.63 -176.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.533 ' N ' ' O ' ' B' ' 12' ' ' HIS . 90.7 m-70 53.77 42.13 31.87 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.436 -1.415 . . . . 0.0 107.316 -177.298 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 91.8 p -63.25 156.45 25.46 Favored 'General case' 0 C--N 1.305 -1.356 0 CA-C-O 121.428 0.632 . . . . 0.0 110.56 -178.486 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -73.08 156.45 38.71 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.445 -0.784 . . . . 0.0 109.489 179.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 36.5 p-90 -54.33 -30.11 50.27 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.25 -0.906 . . . . 0.0 110.258 -179.407 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 59.4 mtp180 -61.3 -40.71 95.18 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.026 -1.046 . . . . 0.0 109.491 -179.65 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.71 -50.03 54.1 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.455 -0.778 . . . . 0.0 109.709 -179.464 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 78.8 mtm -60.81 -40.11 91.49 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.197 -0.939 . . . . 0.0 109.571 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.504 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -59.91 -47.09 87.18 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.062 -1.024 . . . . 0.0 109.117 179.749 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 54.9 m -70.16 -36.48 74.73 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.366 -0.834 . . . . 0.0 110.282 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -60.67 -40.39 91.95 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.253 -0.904 . . . . 0.0 109.905 -179.046 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . 0.461 ' O ' ' OD1' ' B' ' 27' ' ' ASN . 96.7 m-85 -111.42 5.96 19.98 Favored 'General case' 0 N--CA 1.502 2.136 0 O-C-N 121.48 -0.763 . . . . 0.0 110.109 179.789 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.589 ' ND2' ' O ' ' B' ' 27' ' ' ASN . 1.6 p-10 50.35 41.83 25.17 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.347 -0.846 . . . . 0.0 111.088 179.461 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 83.4 mt -106.47 147.79 35.58 Favored Pre-proline 0 N--CA 1.506 2.366 0 O-C-N 120.725 -1.234 . . . . 0.0 109.287 179.234 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -48.29 146.48 9.86 Favored 'Trans proline' 0 N--CA 1.491 1.341 0 C-N-CA 121.259 1.306 . . . . 0.0 111.184 178.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_exo -44.22 -34.24 6.76 Favored 'Trans proline' 0 C--N 1.31 -1.452 0 C-N-CA 121.884 1.722 . . . . 0.0 111.626 179.208 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.419 HG11 HD11 ' A' ' 5' ' ' ILE . 47.5 t -51.53 -51.36 25.96 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.624 -0.673 . . . . 0.0 110.701 -178.462 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 98.0 t -64.59 -49.09 82.07 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.736 0 C-N-CA 118.624 -1.23 . . . . 0.0 109.383 -179.057 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.37 -45.72 86.53 Favored 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 119.881 -0.728 . . . . 0.0 109.837 179.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 10.1 mtpm? -61.32 -36.69 80.83 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.862 -1.149 . . . . 0.0 109.708 179.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.3 tm-20 -61.12 -39.16 88.96 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.159 -0.963 . . . . 0.0 110.228 -179.617 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 67.3 mt -59.69 -40.47 82.4 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 120.912 -1.117 . . . . 0.0 108.718 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 69.0 t -60.45 -39.33 80.8 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.417 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 178.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . 0.538 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -61.26 -30.71 70.62 Favored 'General case' 0 N--CA 1.488 1.447 0 CA-C-O 121.705 0.764 . . . . 0.0 109.381 179.077 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 31.7 m -78.71 -29.67 45.54 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.212 -0.93 . . . . 0.0 109.594 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 41.0 t -83.03 101.65 11.25 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.24 -0.912 . . . . 0.0 109.249 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -60.77 -30.27 69.92 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.446 -0.784 . . . . 0.0 110.067 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 87.6 mttt -68.24 -41.41 81.23 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.084 -1.01 . . . . 0.0 110.234 -178.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 58.5 m -82.38 -29.72 30.71 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.939 -1.101 . . . . 0.0 109.63 179.531 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . 0.538 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 11.6 tt0 . . . . . 0 N--CA 1.493 1.675 0 O-C-N 121.191 -0.943 . . . . 0.0 108.817 -179.705 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 . . . . . 0 N--CA 1.49 1.559 0 CA-C-O 121.532 0.682 . . . . 0.0 109.407 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 23.1 mt -73.69 -40.07 63.9 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.349 -0.845 . . . . 0.0 111.369 -178.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -63.95 -46.16 85.93 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 120.857 -1.152 . . . . 0.0 110.949 -178.266 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.16 -47.57 52.21 Favored Glycine 0 N--CA 1.491 2.366 0 N-CA-C 109.478 -1.449 . . . . 0.0 109.478 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.601 HD11 HG11 ' B' ' 31' ' ' VAL . 91.2 mt -59.36 -39.21 78.45 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.34 -1.094 . . . . 0.0 110.223 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -53.15 -49.46 66.56 Favored 'General case' 0 N--CA 1.485 1.318 0 O-C-N 120.866 -1.146 . . . . 0.0 109.119 -178.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -69.13 -39.83 78.62 Favored 'General case' 0 N--CA 1.493 1.682 0 C-N-CA 118.975 -1.09 . . . . 0.0 109.175 178.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.29 -38.95 88.96 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.538 -0.726 . . . . 0.0 109.861 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -58.08 -40.43 81.07 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.347 -0.846 . . . . 0.0 109.15 -179.314 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 35.0 tp10 -60.84 -41.84 96.6 Favored 'General case' 0 N--CA 1.485 1.289 0 O-C-N 120.891 -1.131 . . . . 0.0 108.226 179.376 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 20.9 tp10 -61.61 -39.89 92.87 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.242 -0.912 . . . . 0.0 109.033 178.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.526 ' O ' ' N ' ' A' ' 16' ' ' HIS . 13.9 t60 -61.06 -47.27 87.13 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.48 -0.763 . . . . 0.0 109.886 179.482 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 78.0 tt0 -60.45 -41.97 95.18 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.13 -0.981 . . . . 0.0 110.752 -179.187 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -62.49 -30.24 71.12 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.463 -0.773 . . . . 0.0 112.833 -177.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -140.98 -3.64 1.23 Allowed 'General case' 0 N--CA 1.503 2.192 0 O-C-N 120.769 -1.207 . . . . 0.0 112.06 -177.424 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.526 ' N ' ' O ' ' A' ' 12' ' ' HIS . 84.3 m-70 54.2 41.73 31.86 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 107.314 -1.365 . . . . 0.0 107.314 -177.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 91.2 p -62.16 155.38 24.59 Favored 'General case' 0 N--CA 1.488 1.44 0 CA-C-O 121.333 0.587 . . . . 0.0 110.23 -179.123 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 -74.72 162.62 28.54 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.276 -0.89 . . . . 0.0 109.617 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 34.6 p-90 -58.8 -30.44 67.61 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.943 -1.098 . . . . 0.0 110.329 -179.5 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 56.1 mtp180 -62.91 -39.62 95.1 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.11 -0.993 . . . . 0.0 109.765 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.67 -49.16 56.25 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.162 -0.961 . . . . 0.0 109.119 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 78.0 mtm -60.77 -39.95 90.73 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.118 -0.989 . . . . 0.0 109.721 179.524 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.49 -48.56 80.4 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 120.936 -1.103 . . . . 0.0 109.1 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 13.8 m -70.4 -33.92 71.94 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.453 -0.78 . . . . 0.0 110.363 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 52.9 t0 -63.03 -43.4 98.8 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.35 -0.844 . . . . 0.0 110.808 -178.577 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -108.16 -0.25 21.14 Favored 'General case' 0 N--CA 1.503 2.202 0 O-C-N 121.179 -0.951 . . . . 0.0 110.419 -179.551 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 12.4 m120 59.02 49.86 8.97 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.349 -0.845 . . . . 0.0 109.593 179.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 63.7 mt -115.63 152.23 47.02 Favored Pre-proline 0 N--CA 1.504 2.247 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 14.8 Cg_endo -58.49 160.84 15.83 Favored 'Trans proline' 0 C--N 1.316 -1.158 0 C-N-CA 121.163 1.242 . . . . 0.0 110.666 179.028 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_endo -56.1 -33.35 89.76 Favored 'Trans proline' 0 C--N 1.304 -1.798 0 C-N-CA 122.514 2.143 . . . . 0.0 111.864 -179.226 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.548 HG11 HD11 ' B' ' 5' ' ' ILE . 68.1 t -56.91 -48.69 81.02 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.155 -0.966 . . . . 0.0 110.099 -179.118 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.433 HG13 HD11 ' A' ' 5' ' ' ILE . 50.5 t -66.49 -47.95 82.14 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.783 0 C-N-CA 118.379 -1.328 . . . . 0.0 109.306 -178.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.52 -45.18 80.34 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.191 -0.943 . . . . 0.0 109.906 179.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.2 mtpm? -62.11 -36.57 82.15 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.998 -1.064 . . . . 0.0 110.371 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.7 tm-20 -60.83 -39.05 87.61 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.846 -1.159 . . . . 0.0 109.753 -179.097 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 60.0 mt -60.06 -40.23 82.66 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.418 0 O-C-N 121.034 -1.041 . . . . 0.0 109.13 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 75.6 t -62.76 -39.59 85.43 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.37 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 179.157 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.31 -32.9 71.66 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.386 -0.821 . . . . 0.0 109.295 179.19 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.8 m -76.7 -30.83 56.86 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.041 -1.037 . . . . 0.0 109.509 -179.628 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 36.8 t -80.36 103.06 9.98 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.155 -0.966 . . . . 0.0 108.835 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -60.4 -29.51 69.01 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.293 -0.879 . . . . 0.0 109.969 -179.31 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -70.05 -40.08 75.32 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.262 -0.899 . . . . 0.0 110.606 -178.476 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 82.3 m -87.7 -16.41 34.38 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.988 -1.07 . . . . 0.0 109.9 179.732 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 . . . . . 0 N--CA 1.491 1.599 0 O-C-N 121.392 -0.818 . . . . 0.0 109.265 -178.944 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 . . . . . 0 N--CA 1.492 1.642 0 CA-C-O 121.454 0.645 . . . . 0.0 109.619 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 24.4 mt -72.95 -40.11 65.64 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.27 -0.894 . . . . 0.0 111.373 -178.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -63.69 -45.7 88.86 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.906 -1.122 . . . . 0.0 110.959 -178.43 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.24 -47.59 51.46 Favored Glycine 0 N--CA 1.493 2.498 0 N-CA-C 109.54 -1.424 . . . . 0.0 109.54 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . 0.548 HD11 HG11 ' A' ' 31' ' ' VAL . 90.3 mt -59.72 -38.5 76.19 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.554 0 O-C-N 121.376 -1.073 . . . . 0.0 110.266 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 48.5 t0 -54.4 -49.77 69.15 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 120.847 -1.158 . . . . 0.0 108.896 -178.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -68.54 -40.27 80.76 Favored 'General case' 0 N--CA 1.49 1.542 0 C-N-CA 119.254 -0.978 . . . . 0.0 109.298 178.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.14 -38.13 87.39 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.426 -0.796 . . . . 0.0 109.672 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . 0.408 ' N ' ' O ' ' B' ' 5' ' ' ILE . 57.7 tt0 -58.61 -40.04 82.15 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.102 -0.999 . . . . 0.0 109.198 -179.263 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 34.0 tp10 -60.95 -42.7 98.74 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 120.865 -1.147 . . . . 0.0 108.599 178.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 20.1 tp10 -60.75 -40.35 92.1 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.346 -0.847 . . . . 0.0 108.973 178.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' HIS . . . . . 0.569 ' O ' ' N ' ' B' ' 16' ' ' HIS . 13.2 t60 -60.59 -47.77 84.75 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.215 -0.928 . . . . 0.0 109.989 179.69 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 77.2 tt0 -60.09 -42.41 94.59 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.19 -0.943 . . . . 0.0 110.682 -179.225 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 56.0 mtpt -61.97 -30.7 71.1 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 121.354 -0.841 . . . . 0.0 112.765 -178.222 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -140.77 -4.15 1.24 Allowed 'General case' 0 N--CA 1.503 2.192 0 O-C-N 120.466 -1.396 . . . . 0.0 111.85 -177.172 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.569 ' N ' ' O ' ' B' ' 12' ' ' HIS . 85.1 m-70 54.8 42.01 31.48 Favored 'General case' 0 N--CA 1.496 1.874 0 N-CA-C 107.426 -1.324 . . . . 0.0 107.426 -177.562 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 99.0 p -62.38 155.97 23.76 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.489 -0.757 . . . . 0.0 110.0 -178.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -75.15 162.63 28.33 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.106 -0.996 . . . . 0.0 109.612 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 34.5 p-90 -58.48 -30.7 67.19 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.024 -1.048 . . . . 0.0 110.083 -179.508 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 56.3 mtp180 -62.59 -40.28 96.4 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.954 -1.091 . . . . 0.0 109.743 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.38 -48.13 62.11 Favored 'General case' 0 C--N 1.298 -1.638 0 C-N-CA 119.502 -0.879 . . . . 0.0 109.286 -179.672 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 78.0 mtm -61.97 -39.94 93.86 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.283 -0.886 . . . . 0.0 109.909 179.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.38 -48.59 80.13 Favored 'General case' 0 C--N 1.3 -1.582 0 C-N-CA 119.345 -0.942 . . . . 0.0 108.696 179.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 14.4 m -70.57 -33.52 71.19 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.379 -0.826 . . . . 0.0 110.438 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 51.1 t0 -63.21 -43.94 96.72 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.961 -1.087 . . . . 0.0 110.679 -178.585 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -107.63 0.58 22.61 Favored 'General case' 0 N--CA 1.502 2.166 0 O-C-N 121.235 -0.915 . . . . 0.0 110.373 -179.539 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 13.6 m120 58.33 49.81 10.47 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.372 -0.83 . . . . 0.0 109.619 179.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 66.3 mt -115.0 151.97 46.09 Favored Pre-proline 0 N--CA 1.503 2.217 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 179.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -58.71 160.54 17.34 Favored 'Trans proline' 0 N--CA 1.489 1.227 0 C-N-CA 121.43 1.42 . . . . 0.0 110.515 179.085 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -55.9 -32.67 86.23 Favored 'Trans proline' 0 C--N 1.307 -1.653 0 C-N-CA 122.538 2.159 . . . . 0.0 112.038 -179.252 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.601 HG11 HD11 ' A' ' 5' ' ' ILE . 72.7 t -57.89 -48.81 83.03 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.643 0 O-C-N 121.257 -0.902 . . . . 0.0 110.184 -179.032 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . 0.405 HG13 HD11 ' B' ' 5' ' ' ILE . 56.4 t -66.43 -47.49 83.71 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.887 0 C-N-CA 118.155 -1.418 . . . . 0.0 109.328 -178.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.55 -44.81 81.36 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.166 -0.958 . . . . 0.0 110.048 179.476 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 10.3 mtpm? -62.64 -36.9 84.3 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.851 -1.156 . . . . 0.0 110.243 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.2 tm-20 -60.12 -39.54 86.62 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.998 -1.064 . . . . 0.0 110.096 -179.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 59.8 mt -59.99 -40.41 83.0 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 120.991 -1.068 . . . . 0.0 108.815 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 76.0 t -62.03 -40.28 86.79 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.501 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 179.069 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . 0.522 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -59.61 -33.27 71.26 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.574 -0.704 . . . . 0.0 109.561 179.438 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 61.5 m -76.43 -30.67 57.48 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.378 -0.826 . . . . 0.0 109.927 -179.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 38.1 t -80.6 102.95 10.12 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.181 -0.949 . . . . 0.0 109.096 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -60.15 -29.69 68.82 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.196 -0.94 . . . . 0.0 110.154 -179.666 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -70.12 -39.87 75.19 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.29 -0.881 . . . . 0.0 110.453 -178.297 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 84.5 m -87.82 -16.06 35.13 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 120.868 -1.145 . . . . 0.0 109.851 179.496 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . 0.522 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 31.3 tt0 . . . . . 0 N--CA 1.493 1.698 0 O-C-N 121.178 -0.951 . . . . 0.0 109.1 -178.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 76.6 m-85 . . . . . 0 N--CA 1.492 1.64 0 CA-C-O 121.268 0.556 . . . . 0.0 109.721 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 29.3 mt -70.98 -43.58 67.75 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.307 -0.87 . . . . 0.0 110.644 -178.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -62.94 -44.9 94.81 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.219 -0.926 . . . . 0.0 110.19 -179.017 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.3 -49.79 54.79 Favored Glycine 0 N--CA 1.495 2.599 0 N-CA-C 109.951 -1.26 . . . . 0.0 109.951 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 93.6 mt -59.46 -39.11 78.34 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.608 0 O-C-N 121.275 -1.132 . . . . 0.0 110.108 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -53.82 -42.11 68.06 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 120.659 -1.276 . . . . 0.0 108.866 -179.434 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 9.6 mtmp? -69.99 -45.34 67.52 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.14 -0.975 . . . . 0.0 109.494 178.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.96 -36.62 82.6 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.529 -0.732 . . . . 0.0 109.613 179.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -56.47 -39.96 74.08 Favored 'General case' 0 C--N 1.302 -1.466 0 C-N-CA 119.228 -0.989 . . . . 0.0 108.899 -179.498 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -62.64 -43.21 99.39 Favored 'General case' 0 C--N 1.304 -1.411 0 C-N-CA 118.941 -1.104 . . . . 0.0 109.27 179.53 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 23.6 tp10 -60.98 -40.3 92.93 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.042 -1.036 . . . . 0.0 108.638 179.362 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.498 ' O ' ' N ' ' A' ' 16' ' ' HIS . 13.2 t60 -61.47 -47.0 87.68 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.21 -0.931 . . . . 0.0 110.301 179.217 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.4 tp10 -59.58 -41.03 89.29 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.0 -1.063 . . . . 0.0 110.283 -178.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt -63.37 -31.82 73.09 Favored 'General case' 0 N--CA 1.497 1.914 0 N-CA-C 113.112 0.782 . . . . 0.0 113.112 -178.564 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -140.11 -2.13 1.5 Allowed 'General case' 0 N--CA 1.51 2.549 0 O-C-N 120.527 -1.358 . . . . 0.0 112.237 -177.171 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.498 ' N ' ' O ' ' A' ' 12' ' ' HIS . 88.3 m-70 53.22 45.12 29.22 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.445 -1.409 . . . . 0.0 107.487 -177.704 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 90.1 p -67.01 153.17 44.32 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.482 -0.761 . . . . 0.0 109.879 -178.615 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -71.78 160.34 32.77 Favored 'General case' 0 C--N 1.304 -1.385 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 179.593 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 41.6 p-90 -57.53 -29.5 64.41 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 121.267 -0.896 . . . . 0.0 110.531 -179.254 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -62.05 -40.94 97.48 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.163 -0.961 . . . . 0.0 109.907 -179.447 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.04 -49.31 62.21 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.471 -0.768 . . . . 0.0 110.0 -179.359 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 78.7 mtm -61.61 -39.94 93.05 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 120.937 -1.102 . . . . 0.0 109.473 179.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.481 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -54.42 -47.86 72.32 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.13 -0.981 . . . . 0.0 108.722 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 8.3 t -70.24 -36.97 74.86 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.359 -0.838 . . . . 0.0 110.391 179.449 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 61.6 t0 -60.72 -41.12 94.66 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.05 -1.031 . . . . 0.0 110.755 -178.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -110.62 0.5 17.58 Favored 'General case' 0 N--CA 1.503 2.18 0 O-C-N 121.33 -0.856 . . . . 0.0 109.611 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.481 ' N ' ' O ' ' A' ' 23' ' ' ALA . 65.4 t30 57.13 48.3 15.64 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.407 -0.808 . . . . 0.0 110.008 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 58.4 mt -114.76 152.88 46.78 Favored Pre-proline 0 N--CA 1.501 2.09 0 O-C-N 121.301 -0.874 . . . . 0.0 109.035 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -60.85 148.77 91.22 Favored 'Trans proline' 0 C--N 1.313 -1.307 0 C-N-CA 121.747 1.631 . . . . 0.0 111.422 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_exo -44.71 -33.59 7.21 Favored 'Trans proline' 0 C--N 1.311 -1.435 0 C-N-CA 121.7 1.6 . . . . 0.0 111.338 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 16.2 t -52.47 -52.2 27.85 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.675 0 O-C-N 121.291 -0.881 . . . . 0.0 110.579 -178.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 58.1 t -67.64 -48.07 77.76 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.713 0 C-N-CA 118.6 -1.24 . . . . 0.0 109.339 -178.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.51 -42.25 95.91 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.281 -0.887 . . . . 0.0 110.037 179.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -62.78 -35.96 81.55 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.704 -1.248 . . . . 0.0 110.55 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.6 tm-20 -60.49 -38.41 84.22 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 120.961 -1.087 . . . . 0.0 109.792 -179.381 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 34.9 mt -60.3 -40.22 83.2 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.414 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 74.5 t -64.75 -40.15 88.1 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.443 0 O-C-N 121.214 -0.929 . . . . 0.0 109.086 179.336 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.67 -30.58 70.83 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.173 -0.954 . . . . 0.0 108.788 179.027 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 55.1 m -78.43 -30.68 47.74 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.502 -0.749 . . . . 0.0 109.949 179.752 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 30.4 t -81.11 104.04 11.33 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 120.963 -1.086 . . . . 0.0 109.198 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -60.11 -30.54 69.34 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.693 -0.629 . . . . 0.0 110.899 -179.236 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 63.6 mttm -71.37 -40.06 70.86 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.229 -0.919 . . . . 0.0 110.698 -178.572 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 68.7 m -84.03 -23.02 31.09 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.96 -1.088 . . . . 0.0 109.615 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 44.6 tt0 . . . . . 0 N--CA 1.493 1.71 0 O-C-N 121.281 -0.887 . . . . 0.0 109.493 179.921 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 . . . . . 0 N--CA 1.491 1.593 0 CA-C-O 121.198 0.523 . . . . 0.0 109.776 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 30.5 mt -71.44 -43.83 65.95 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.104 -0.998 . . . . 0.0 110.447 -179.174 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -62.59 -44.08 97.21 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.251 -0.906 . . . . 0.0 110.556 -178.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.35 -48.42 51.94 Favored Glycine 0 N--CA 1.496 2.642 0 N-CA-C 109.665 -1.374 . . . . 0.0 109.665 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 95.3 mt -59.84 -38.44 76.22 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.486 0 O-C-N 121.187 -1.184 . . . . 0.0 110.233 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -55.08 -42.24 72.57 Favored 'General case' 0 C--N 1.3 -1.582 0 C-N-CA 118.756 -1.177 . . . . 0.0 109.094 -179.022 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 9.4 mtmp? -69.73 -44.98 69.19 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.27 -0.894 . . . . 0.0 109.484 178.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.55 -35.41 78.99 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.669 -0.645 . . . . 0.0 109.551 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -57.9 -39.87 78.94 Favored 'General case' 0 C--N 1.303 -1.416 0 C-N-CA 119.37 -0.932 . . . . 0.0 108.964 -179.491 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -62.43 -42.01 99.13 Favored 'General case' 0 C--N 1.305 -1.338 0 C-N-CA 118.965 -1.094 . . . . 0.0 109.106 179.29 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 28.1 tp10 -61.69 -41.11 97.14 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.139 -0.976 . . . . 0.0 108.69 179.205 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 12' ' ' HIS . . . . . 0.481 ' O ' ' N ' ' B' ' 16' ' ' HIS . 13.7 t60 -60.79 -46.64 89.71 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.251 -0.906 . . . . 0.0 110.137 179.369 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 50.4 tp10 -59.55 -41.06 89.24 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.089 -1.007 . . . . 0.0 110.136 -179.09 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -63.58 -31.97 73.3 Favored 'General case' 0 N--CA 1.493 1.694 0 N-CA-C 113.021 0.748 . . . . 0.0 113.021 -178.388 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -139.92 -2.1 1.54 Allowed 'General case' 0 N--CA 1.509 2.492 0 O-C-N 120.452 -1.405 . . . . 0.0 112.255 -177.288 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.481 ' N ' ' O ' ' B' ' 12' ' ' HIS . 85.3 m-70 53.9 42.36 31.73 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.468 -1.395 . . . . 0.0 107.395 -177.83 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 93.3 p -64.75 153.28 40.29 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.548 -0.72 . . . . 0.0 110.045 -178.675 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -71.63 160.11 33.23 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.499 -0.75 . . . . 0.0 109.043 179.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 41.7 p-90 -57.64 -29.51 64.64 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.377 -0.827 . . . . 0.0 110.395 -179.277 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -62.06 -41.52 98.24 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.172 -0.955 . . . . 0.0 109.751 -179.629 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.56 -50.05 60.37 Favored 'General case' 0 C--N 1.298 -1.647 0 O-C-N 121.454 -0.779 . . . . 0.0 109.814 -179.202 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 78.8 mtm -60.95 -39.88 91.18 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.084 -1.01 . . . . 0.0 109.508 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.474 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -54.83 -48.45 72.83 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.058 -1.026 . . . . 0.0 108.775 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 8.1 t -70.23 -35.84 74.12 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.368 -0.833 . . . . 0.0 110.398 179.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -60.47 -42.51 96.4 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.243 -0.911 . . . . 0.0 110.375 -179.166 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -109.94 1.65 19.24 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.507 -0.746 . . . . 0.0 109.818 -179.64 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.474 ' N ' ' O ' ' B' ' 23' ' ' ALA . 66.5 t30 56.87 46.39 19.8 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.431 -0.793 . . . . 0.0 110.179 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 61.4 mt -112.74 153.1 45.18 Favored Pre-proline 0 N--CA 1.503 2.177 0 O-C-N 121.176 -0.953 . . . . 0.0 109.189 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -61.07 149.71 87.79 Favored 'Trans proline' 0 N--CA 1.49 1.309 0 C-N-CA 121.594 1.529 . . . . 0.0 111.504 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -44.98 -34.45 8.91 Favored 'Trans proline' 0 C--N 1.314 -1.246 0 C-N-CA 121.686 1.591 . . . . 0.0 111.628 179.615 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 14.1 t -51.84 -52.09 24.49 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.389 -0.819 . . . . 0.0 110.681 -178.614 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 59.9 t -67.49 -48.68 76.26 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.733 0 C-N-CA 118.861 -1.136 . . . . 0.0 109.461 -178.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.58 -42.4 95.65 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.336 -0.853 . . . . 0.0 110.168 179.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 57.6 mtpt -62.95 -34.28 77.15 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 120.863 -1.148 . . . . 0.0 110.765 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.3 tm-20 -61.14 -39.81 91.47 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.043 -1.035 . . . . 0.0 109.569 -179.514 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 32.5 mt -59.72 -40.55 82.72 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.393 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 -179.318 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 69.6 t -64.53 -40.15 88.07 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.559 0 O-C-N 121.342 -0.849 . . . . 0.0 108.885 179.342 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . 0.467 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -61.99 -30.76 71.16 Favored 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 179.013 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 66.6 m -78.25 -30.76 48.82 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.543 -0.723 . . . . 0.0 109.513 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 36.6 t -80.88 105.41 12.09 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.14 -0.975 . . . . 0.0 109.219 -179.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 -60.52 -31.46 70.53 Favored 'General case' 0 N--CA 1.492 1.664 0 CA-C-O 121.213 0.53 . . . . 0.0 111.007 -179.424 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 63.9 mttm -70.76 -40.26 72.75 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.958 -1.089 . . . . 0.0 111.048 -178.644 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 69.3 m -84.24 -22.85 30.68 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.068 -1.02 . . . . 0.0 109.668 -179.502 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . 0.467 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 6.7 tt0 . . . . . 0 N--CA 1.492 1.631 0 O-C-N 121.301 -0.874 . . . . 0.0 109.086 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 . . . . . 0 N--CA 1.489 1.504 0 CA-C-O 121.444 0.64 . . . . 0.0 109.522 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 51.5 mt -71.13 -41.35 70.62 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.249 -0.907 . . . . 0.0 111.003 -178.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 48.3 t0 -62.47 -48.1 81.11 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.676 -1.265 . . . . 0.0 111.442 -178.54 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.38 -49.2 53.41 Favored Glycine 0 N--CA 1.49 2.251 0 N-CA-C 108.86 -1.696 . . . . 0.0 108.86 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.548 HD11 HG11 ' B' ' 31' ' ' VAL . 75.7 mt -56.12 -39.17 57.24 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.538 0 O-C-N 121.452 -1.028 . . . . 0.0 110.332 179.66 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 85.9 m-20 -55.15 -45.81 75.67 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.596 -1.315 . . . . 0.0 109.747 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 46.5 mtpt -70.66 -44.59 66.76 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.44 -0.788 . . . . 0.0 109.165 179.167 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.37 -34.31 78.01 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 -179.666 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' A' ' 5' ' ' ILE . 60.0 tt0 -58.23 -41.27 83.76 Favored 'General case' 0 C--N 1.305 -1.357 0 C-N-CA 119.787 -0.765 . . . . 0.0 108.946 -179.394 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -62.19 -39.7 93.57 Favored 'General case' 0 C--N 1.301 -1.518 0 C-N-CA 119.019 -1.072 . . . . 0.0 108.301 179.49 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.7 tm-20 -61.26 -40.79 95.4 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 179.504 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.54 ' O ' ' N ' ' A' ' 16' ' ' HIS . 16.3 t60 -63.72 -43.69 95.79 Favored 'General case' 0 C--N 1.302 -1.46 0 C-N-CA 119.26 -0.976 . . . . 0.0 110.136 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 -62.21 -42.54 99.39 Favored 'General case' 0 C--N 1.296 -1.724 0 O-C-N 121.242 -0.912 . . . . 0.0 110.514 -179.038 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 56.8 mtpt -61.59 -34.35 75.47 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.553 -0.717 . . . . 0.0 112.302 -178.446 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 -136.27 -5.21 2.08 Favored 'General case' 0 N--CA 1.507 2.381 0 O-C-N 120.953 -1.092 . . . . 0.0 112.68 -176.718 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.54 ' N ' ' O ' ' A' ' 12' ' ' HIS . 91.1 m-70 54.75 45.53 26.52 Favored 'General case' 0 N--CA 1.493 1.712 0 N-CA-C 106.881 -1.525 . . . . 0.0 106.881 -176.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 91.6 p -67.52 154.28 41.78 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.42 -0.8 . . . . 0.0 109.796 -179.186 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 30.7 m120 -71.81 159.08 34.93 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.409 -0.807 . . . . 0.0 109.279 179.398 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 48.0 p-90 -57.76 -28.99 64.44 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.033 -1.042 . . . . 0.0 110.168 -179.649 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -62.2 -41.3 98.22 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 120.739 -1.225 . . . . 0.0 109.365 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.08 -49.69 64.22 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.208 -0.933 . . . . 0.0 109.619 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 79.4 mtm -61.2 -39.57 90.7 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.542 -0.724 . . . . 0.0 109.835 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.541 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -59.36 -46.57 88.28 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 179.812 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.1 t -69.2 -37.89 78.34 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.23 -0.919 . . . . 0.0 110.06 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 56.8 t0 -60.04 -39.92 87.59 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.297 -0.877 . . . . 0.0 110.388 -178.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -111.26 -0.1 16.55 Favored 'General case' 0 N--CA 1.502 2.157 0 O-C-N 121.302 -0.874 . . . . 0.0 109.645 179.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.541 ' N ' ' O ' ' A' ' 23' ' ' ALA . 52.0 t30 55.58 50.77 13.83 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.484 -0.76 . . . . 0.0 110.396 179.257 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 67.1 mt -117.01 150.11 45.37 Favored Pre-proline 0 N--CA 1.508 2.445 0 O-C-N 121.13 -0.981 . . . . 0.0 110.514 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -44.95 156.8 0.23 Allowed 'Trans proline' 0 N--CA 1.486 1.053 0 C-N-CA 121.439 1.426 . . . . 0.0 110.87 178.167 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.413 ' O ' ' N ' ' A' ' 34' ' ' LYS . 9.9 Cg_endo -56.91 -31.42 89.3 Favored 'Trans proline' 0 C--N 1.306 -1.675 0 C-N-CA 121.658 1.572 . . . . 0.0 111.349 179.182 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.499 HG11 HD11 ' B' ' 5' ' ' ILE . 61.3 t -55.36 -48.47 76.81 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.555 -0.715 . . . . 0.0 110.562 -178.395 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.525 HG13 HD11 ' A' ' 5' ' ' ILE . 69.2 t -66.89 -50.46 64.72 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.879 0 O-C-N 120.871 -1.143 . . . . 0.0 109.921 -179.156 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.82 -40.41 91.81 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 121.117 -0.989 . . . . 0.0 109.587 179.672 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' A' ' 30' ' ' PRO . 13.8 mmmt -62.1 -40.45 95.89 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.366 -0.834 . . . . 0.0 109.494 179.504 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.7 tm-20 -59.65 -40.08 86.5 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.185 -0.947 . . . . 0.0 110.65 -178.499 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 21.7 mt -59.82 -43.78 92.62 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 O-C-N 120.949 -1.095 . . . . 0.0 108.487 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 75.4 t -64.07 -39.95 87.29 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.886 0 C-N-CA 119.312 -0.955 . . . . 0.0 109.004 179.293 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.52 -34.75 73.02 Favored 'General case' 0 C--N 1.297 -1.708 0 CA-C-O 121.512 0.672 . . . . 0.0 110.345 -179.446 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.7 m -78.53 -23.92 45.97 Favored 'General case' 0 C--N 1.295 -1.781 0 O-C-N 121.336 -0.853 . . . . 0.0 110.332 -178.649 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 43.0 t -80.81 100.94 9.06 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.043 -1.036 . . . . 0.0 109.236 -179.551 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 -60.07 -30.2 69.06 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.383 -0.823 . . . . 0.0 110.416 -179.216 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 64.3 mttm -69.07 -30.01 68.25 Favored 'General case' 0 C--N 1.297 -1.684 0 O-C-N 120.845 -1.159 . . . . 0.0 110.724 -178.37 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 25.7 m -91.41 -59.86 2.03 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.073 -1.017 . . . . 0.0 112.656 -178.661 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.428 ' NE2' ' OE1' ' B' ' 44' ' ' GLN . 14.3 tt0 . . . . . 0 N--CA 1.503 2.199 0 O-C-N 120.757 -1.215 . . . . 0.0 112.893 -176.467 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 . . . . . 0 N--CA 1.489 1.502 0 CA-C-O 121.653 0.74 . . . . 0.0 109.364 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 48.2 mt -70.28 -38.72 75.11 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.646 -0.659 . . . . 0.0 111.138 -178.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -64.24 -47.46 79.57 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.011 -1.056 . . . . 0.0 111.295 -178.204 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.28 -46.91 55.25 Favored Glycine 0 N--CA 1.491 2.331 0 N-CA-C 109.307 -1.517 . . . . 0.0 109.307 -179.56 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . 0.528 ' O ' ' N ' ' B' ' 9' ' ' GLN . 68.8 mt -58.14 -39.88 74.9 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.574 -0.957 . . . . 0.0 109.778 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -55.05 -46.08 75.32 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.606 -1.309 . . . . 0.0 109.448 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 44.1 mtpt -69.18 -43.5 74.1 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.068 -1.02 . . . . 0.0 109.074 178.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.69 -34.06 77.01 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.691 -0.631 . . . . 0.0 109.546 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . 0.528 ' N ' ' O ' ' B' ' 5' ' ' ILE . 58.5 tt0 -57.86 -42.06 83.71 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.347 -0.846 . . . . 0.0 109.155 -179.599 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -61.36 -41.92 97.85 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 121.215 -0.928 . . . . 0.0 108.758 179.167 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 10.1 tm-20 -60.02 -39.92 87.51 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.29 -0.881 . . . . 0.0 109.144 179.215 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 12' ' ' HIS . . . . . 0.56 ' O ' ' N ' ' B' ' 16' ' ' HIS . 15.7 t60 -64.43 -43.69 93.53 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.047 -1.033 . . . . 0.0 109.95 179.799 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 72.6 tt0 -62.64 -42.39 99.57 Favored 'General case' 0 C--N 1.298 -1.652 0 O-C-N 121.241 -0.912 . . . . 0.0 110.794 -179.055 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 57.3 mtpt -61.98 -34.9 76.99 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.616 -0.678 . . . . 0.0 112.2 -178.69 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -134.97 -4.19 2.46 Favored 'General case' 0 N--CA 1.509 2.523 0 O-C-N 120.735 -1.228 . . . . 0.0 112.734 -177.014 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.56 ' N ' ' O ' ' B' ' 12' ' ' HIS . 89.8 m-70 54.17 43.84 30.04 Favored 'General case' 0 N--CA 1.492 1.643 0 N-CA-C 107.275 -1.38 . . . . 0.0 107.275 -177.102 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 87.5 p -65.52 156.63 31.94 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.39 -0.819 . . . . 0.0 110.536 -178.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 29.7 m120 -73.78 159.28 33.16 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.293 -0.879 . . . . 0.0 109.515 179.23 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 44.8 p-90 -58.06 -28.24 64.35 Favored 'General case' 0 C--N 1.297 -1.676 0 O-C-N 121.114 -0.992 . . . . 0.0 110.007 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -63.96 -39.84 95.05 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.05 -1.031 . . . . 0.0 109.513 179.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.54 -49.82 50.8 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.359 -0.838 . . . . 0.0 109.102 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 80.1 mtm -60.32 -40.14 89.55 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.39 -0.819 . . . . 0.0 109.663 179.634 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.537 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -58.83 -46.96 86.45 Favored 'General case' 0 C--N 1.304 -1.397 0 C-N-CA 119.0 -1.08 . . . . 0.0 108.767 -179.824 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 26.9 t -69.02 -37.39 78.61 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.095 -1.003 . . . . 0.0 110.103 179.616 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 59.5 t0 -60.2 -40.33 89.68 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.139 -0.976 . . . . 0.0 110.494 -179.509 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -110.04 -2.89 16.79 Favored 'General case' 0 N--CA 1.505 2.304 0 O-C-N 121.039 -1.038 . . . . 0.0 109.988 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.537 ' N ' ' O ' ' B' ' 23' ' ' ALA . 43.4 t30 57.39 50.47 11.33 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.787 -0.571 . . . . 0.0 110.309 179.226 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 75.5 mt -116.77 151.25 47.04 Favored Pre-proline 0 N--CA 1.501 2.083 0 O-C-N 121.335 -0.853 . . . . 0.0 110.16 -179.245 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -46.01 156.78 0.44 Allowed 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 121.742 1.628 . . . . 0.0 110.674 178.056 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_endo -57.74 -29.8 86.98 Favored 'Trans proline' 0 C--N 1.305 -1.717 0 C-N-CA 121.652 1.568 . . . . 0.0 110.905 179.174 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.548 HG11 HD11 ' A' ' 5' ' ' ILE . 53.5 t -56.82 -48.86 80.48 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.508 0 O-C-N 121.655 -0.653 . . . . 0.0 110.145 -178.307 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . 0.47 HG13 HD11 ' B' ' 5' ' ' ILE . 99.4 t -66.22 -50.13 70.77 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.943 0 C-N-CA 118.584 -1.246 . . . . 0.0 109.452 -178.759 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.17 -42.04 94.06 Favored 'General case' 0 C--N 1.299 -1.63 0 O-C-N 121.583 -0.698 . . . . 0.0 109.736 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 13.7 mmmt -62.06 -38.93 90.62 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.904 -1.122 . . . . 0.0 110.066 179.387 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 14.0 tm-20 -61.02 -40.08 92.22 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.129 -0.982 . . . . 0.0 110.618 -178.708 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 43.3 mt -60.29 -41.11 85.89 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.771 0 O-C-N 120.727 -1.233 . . . . 0.0 108.46 -179.665 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 65.3 t -66.48 -39.29 83.62 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.686 0 O-C-N 121.185 -0.947 . . . . 0.0 108.949 179.112 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.75 -33.32 72.76 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.549 -0.719 . . . . 0.0 110.556 -179.376 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 22.0 m -79.7 -23.29 42.5 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.308 -0.87 . . . . 0.0 109.866 -178.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 48.4 t -80.18 100.15 8.14 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.084 -1.01 . . . . 0.0 108.96 179.482 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -60.31 -29.95 69.18 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 121.528 -0.732 . . . . 0.0 110.117 -179.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 63.0 mttm -69.38 -30.9 68.99 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.788 -1.195 . . . . 0.0 111.297 -178.019 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 22.0 m -90.74 -59.32 2.21 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.38 -0.825 . . . . 0.0 112.569 -178.586 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . 0.428 ' OE1' ' NE2' ' A' ' 44' ' ' GLN . 45.9 tt0 . . . . . 0 N--CA 1.503 2.194 0 O-C-N 120.487 -1.383 . . . . 0.0 112.731 -176.753 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . 0.465 ' O ' HD12 ' A' ' 5' ' ' ILE . 46.4 m-85 . . . . . 0 N--CA 1.49 1.552 0 CA-C-O 121.566 0.698 . . . . 0.0 109.435 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 19.0 mt -71.24 -19.81 62.32 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.604 -0.685 . . . . 0.0 111.548 -178.654 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.547 ' OD1' ' N ' ' A' ' 3' ' ' ASP . 13.4 p-10 -67.65 -65.03 0.74 Allowed 'General case' 0 C--N 1.295 -1.804 0 O-C-N 121.045 -1.034 . . . . 0.0 111.309 -178.522 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.401 ' H ' ' CG ' ' A' ' 3' ' ' ASP . . . -61.05 -40.36 98.4 Favored Glycine 0 N--CA 1.497 2.764 0 N-CA-C 110.144 -1.183 . . . . 0.0 110.144 -179.24 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.495 ' O ' ' N ' ' A' ' 9' ' ' GLN . 96.6 mt -59.75 -40.24 81.95 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.536 0 O-C-N 121.531 -0.982 . . . . 0.0 109.932 -179.464 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 59.4 t0 -54.97 -44.83 74.77 Favored 'General case' 0 N--CA 1.485 1.294 0 O-C-N 120.817 -1.177 . . . . 0.0 108.163 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 60.1 tttp -69.17 -44.64 71.8 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.284 -0.885 . . . . 0.0 109.141 178.674 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.64 -34.15 77.61 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.236 -0.915 . . . . 0.0 109.496 179.464 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.495 ' N ' ' O ' ' A' ' 5' ' ' ILE . 58.5 tt0 -58.23 -42.04 85.44 Favored 'General case' 0 C--N 1.303 -1.456 0 C-N-CA 119.625 -0.83 . . . . 0.0 109.233 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -59.92 -40.44 88.89 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 119.527 -0.869 . . . . 0.0 109.547 179.609 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -60.68 -41.27 94.79 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 179.626 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.546 ' O ' ' N ' ' A' ' 16' ' ' HIS . 16.0 t60 -61.32 -47.02 87.87 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.363 -0.836 . . . . 0.0 110.026 179.382 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 34.1 tp10 -60.28 -41.27 92.99 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.007 -1.058 . . . . 0.0 110.415 -179.323 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.1 mtpp -61.23 -37.03 81.6 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.162 -0.961 . . . . 0.0 112.655 -178.652 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -135.13 -3.96 2.43 Favored 'General case' 0 N--CA 1.507 2.384 0 O-C-N 120.989 -1.07 . . . . 0.0 112.662 -176.62 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.546 ' N ' ' O ' ' A' ' 12' ' ' HIS . 89.2 m-70 55.65 49.92 15.44 Favored 'General case' 0 N--CA 1.496 1.848 0 N-CA-C 107.447 -1.316 . . . . 0.0 107.447 -177.639 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 68.0 p -69.57 154.05 42.57 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.664 -0.648 . . . . 0.0 110.786 -178.568 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -73.24 155.39 39.58 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.41 -0.807 . . . . 0.0 108.954 179.717 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 40.5 p-90 -55.03 -30.34 59.33 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.17 -0.956 . . . . 0.0 110.111 -179.351 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 85.6 mtm180 -62.03 -40.47 95.83 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.072 -1.018 . . . . 0.0 109.931 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.55 -48.69 54.13 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.266 -0.896 . . . . 0.0 109.234 -179.595 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 76.8 mtm -59.94 -39.88 87.05 Favored 'General case' 0 C--N 1.304 -1.409 0 C-N-CA 119.673 -0.811 . . . . 0.0 109.388 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -57.65 -48.44 79.48 Favored 'General case' 0 C--N 1.297 -1.715 0 C-N-CA 119.054 -1.058 . . . . 0.0 109.109 179.591 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 35.1 t -69.91 -35.38 74.56 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.253 -0.904 . . . . 0.0 110.612 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 54.2 m-20 -60.79 -40.03 91.12 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.326 -0.859 . . . . 0.0 110.557 -178.198 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -112.23 -1.63 15.13 Favored 'General case' 0 N--CA 1.502 2.152 0 O-C-N 121.302 -0.874 . . . . 0.0 110.089 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.456 ' N ' ' O ' ' A' ' 23' ' ' ALA . 42.7 t30 59.95 48.72 8.47 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.352 -0.843 . . . . 0.0 109.152 -179.755 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 75.8 mt -111.37 152.29 43.79 Favored Pre-proline 0 N--CA 1.499 1.984 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 179.743 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -59.96 159.81 24.19 Favored 'Trans proline' 0 C--N 1.312 -1.386 0 C-N-CA 121.242 1.295 . . . . 0.0 111.315 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -55.35 -36.3 93.5 Favored 'Trans proline' 0 C--N 1.307 -1.622 0 C-N-CA 122.418 2.079 . . . . 0.0 110.699 -179.523 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 32.3 t -54.01 -48.58 63.9 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.706 0 C-N-CA 119.749 -0.781 . . . . 0.0 110.377 -179.431 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 58.1 t -69.13 -46.66 77.71 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.968 0 C-N-CA 118.522 -1.271 . . . . 0.0 109.673 -178.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.93 -45.03 83.31 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.358 -0.839 . . . . 0.0 109.851 179.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp -61.96 -34.89 76.97 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.038 -1.039 . . . . 0.0 110.25 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -63.81 -39.04 93.3 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.054 -1.029 . . . . 0.0 110.383 -179.63 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 59.8 mt -59.81 -40.59 83.06 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 O-C-N 120.841 -1.162 . . . . 0.0 108.442 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 90.6 t -64.04 -38.99 83.86 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.631 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 178.564 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.54 -34.05 73.55 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.545 -0.722 . . . . 0.0 110.264 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.2 m -78.44 -25.25 45.9 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.082 -1.011 . . . . 0.0 109.626 -179.284 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 40.9 t -82.86 101.23 10.84 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.414 -0.804 . . . . 0.0 109.243 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -60.44 -29.76 69.21 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.642 -0.662 . . . . 0.0 110.093 -179.552 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 64.0 mttm -68.96 -39.92 79.21 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 120.848 -1.157 . . . . 0.0 109.968 -178.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 67.6 m -86.16 -20.2 28.96 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.153 -0.967 . . . . 0.0 109.878 179.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 . . . . . 0 C--N 1.3 -1.563 0 O-C-N 121.049 -1.032 . . . . 0.0 109.057 -179.7 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . 0.53 ' O ' HD12 ' B' ' 5' ' ' ILE . 43.9 m-85 . . . . . 0 N--CA 1.491 1.577 0 CA-C-O 121.314 0.578 . . . . 0.0 109.644 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 19.5 mt -73.09 -17.39 61.42 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.575 -0.703 . . . . 0.0 111.345 -178.222 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . 0.524 ' OD1' ' N ' ' B' ' 3' ' ' ASP . 14.3 p-10 -69.95 -64.95 0.79 Allowed 'General case' 0 C--N 1.3 -1.569 0 O-C-N 120.843 -1.161 . . . . 0.0 110.85 -178.839 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 4' ' ' GLY . . . . . 0.432 ' H ' ' CG ' ' B' ' 3' ' ' ASP . . . -59.99 -41.57 97.96 Favored Glycine 0 N--CA 1.498 2.832 0 N-CA-C 110.314 -1.114 . . . . 0.0 110.314 -179.514 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . 0.53 HD12 ' O ' ' B' ' 1' ' ' PHE . 95.8 mt -59.64 -40.64 82.75 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 O-C-N 121.392 -1.064 . . . . 0.0 110.016 -179.646 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 62.7 t0 -54.88 -44.14 73.82 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 120.756 -1.215 . . . . 0.0 108.593 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 60.2 tttp -69.65 -45.27 68.8 Favored 'General case' 0 N--CA 1.491 1.607 0 C-N-CA 119.521 -0.872 . . . . 0.0 108.935 178.455 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.71 -33.59 76.33 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.496 -0.753 . . . . 0.0 109.538 179.442 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' B' ' 5' ' ' ILE . 58.9 tt0 -58.68 -41.19 85.63 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.25 -0.906 . . . . 0.0 109.026 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -60.83 -41.64 96.15 Favored 'General case' 0 C--N 1.302 -1.491 0 C-N-CA 119.148 -1.021 . . . . 0.0 109.202 179.197 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -59.48 -39.77 84.79 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.125 -0.984 . . . . 0.0 108.396 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 12' ' ' HIS . . . . . 0.561 ' O ' ' N ' ' B' ' 16' ' ' HIS . 17.0 t60 -62.38 -47.47 84.01 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.063 -1.023 . . . . 0.0 110.182 179.282 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 28.3 tp10 -59.94 -41.79 92.58 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.019 -1.051 . . . . 0.0 110.711 -179.141 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 26.3 mtpp -60.49 -36.16 77.64 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.47 -0.769 . . . . 0.0 112.456 -178.571 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -136.22 -3.91 2.17 Favored 'General case' 0 N--CA 1.506 2.367 0 O-C-N 120.936 -1.103 . . . . 0.0 112.528 -176.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.561 ' N ' ' O ' ' B' ' 12' ' ' HIS . 90.4 m-70 56.07 47.77 19.02 Favored 'General case' 0 N--CA 1.498 1.966 0 N-CA-C 107.605 -1.257 . . . . 0.0 107.605 -177.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 78.2 p -66.63 155.15 38.68 Favored 'General case' 0 C--N 1.302 -1.494 0 C-N-CA 119.923 -0.711 . . . . 0.0 110.48 -178.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -74.43 157.56 35.41 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.516 -0.74 . . . . 0.0 109.17 179.306 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 37.1 p-90 -56.38 -30.87 63.24 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.139 -0.976 . . . . 0.0 110.203 -179.618 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 87.6 mtm180 -62.53 -39.6 94.11 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.831 -1.168 . . . . 0.0 109.92 -179.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.01 -49.52 50.62 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.322 -0.861 . . . . 0.0 109.312 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 77.8 mtm -59.32 -40.38 86.09 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.363 -0.836 . . . . 0.0 109.551 -179.7 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.485 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -57.5 -47.57 81.58 Favored 'General case' 0 C--N 1.3 -1.577 0 C-N-CA 118.897 -1.121 . . . . 0.0 109.358 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 47.9 t -70.18 -35.53 74.04 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.592 -0.693 . . . . 0.0 110.797 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -60.71 -41.05 94.44 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.153 -0.967 . . . . 0.0 110.257 -178.51 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -111.62 -1.28 15.8 Favored 'General case' 0 N--CA 1.503 2.202 0 O-C-N 121.546 -0.721 . . . . 0.0 110.277 -179.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.485 ' N ' ' O ' ' B' ' 23' ' ' ALA . 39.7 t30 59.94 46.77 10.69 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.049 -1.032 . . . . 0.0 109.234 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 81.6 mt -109.94 152.44 43.02 Favored Pre-proline 0 N--CA 1.497 1.897 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -60.51 159.91 25.96 Favored 'Trans proline' 0 C--N 1.313 -1.33 0 C-N-CA 121.197 1.264 . . . . 0.0 111.043 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_endo -55.77 -35.65 93.86 Favored 'Trans proline' 0 C--N 1.302 -1.901 0 C-N-CA 122.603 2.202 . . . . 0.0 110.919 -179.359 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 34.1 t -54.86 -48.43 74.09 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.631 0 O-C-N 121.302 -0.874 . . . . 0.0 110.094 -179.574 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 60.0 t -68.87 -46.63 78.89 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.639 0 C-N-CA 118.274 -1.37 . . . . 0.0 109.53 -179.279 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.65 -45.66 82.12 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.165 -0.959 . . . . 0.0 109.758 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 25.8 mtpp -61.71 -34.04 75.09 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.935 -1.103 . . . . 0.0 110.259 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.1 tm-20 -64.03 -39.63 94.52 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.945 -1.097 . . . . 0.0 110.267 -179.445 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 62.6 mt -59.54 -39.77 80.21 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.347 0 O-C-N 120.892 -1.13 . . . . 0.0 108.405 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 90.1 t -64.61 -39.48 85.77 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.565 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 178.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . 0.443 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -59.91 -32.52 70.83 Favored 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.292 179.434 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 14.9 m -79.74 -27.58 40.53 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.033 -1.042 . . . . 0.0 109.581 -179.532 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 42.7 t -81.32 102.7 10.59 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.056 -1.028 . . . . 0.0 109.022 179.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -61.89 -29.09 69.97 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.734 -0.604 . . . . 0.0 110.306 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -68.98 -39.57 79.32 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.816 -1.177 . . . . 0.0 109.904 -178.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 64.0 m -85.73 -22.76 27.63 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.195 -0.94 . . . . 0.0 109.483 179.561 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . 0.443 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 24.1 tt0 . . . . . 0 N--CA 1.49 1.538 0 O-C-N 121.074 -1.016 . . . . 0.0 109.237 -179.689 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 . . . . . 0 N--CA 1.49 1.558 0 CA-C-O 121.313 0.578 . . . . 0.0 109.802 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 16.1 mt -73.37 -41.12 63.79 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.428 -0.795 . . . . 0.0 111.488 -178.434 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -65.33 -42.45 92.9 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 120.562 -1.336 . . . . 0.0 110.638 -178.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.95 -48.6 47.03 Favored Glycine 0 N--CA 1.491 2.334 0 N-CA-C 109.917 -1.273 . . . . 0.0 109.917 -179.487 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.498 HD11 HG11 ' B' ' 31' ' ' VAL . 83.8 mt -59.76 -38.45 76.04 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.625 0 O-C-N 121.455 -1.026 . . . . 0.0 110.256 -179.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -55.43 -45.17 76.78 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 120.854 -1.154 . . . . 0.0 109.129 -179.215 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -69.54 -43.25 73.36 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.998 -1.064 . . . . 0.0 109.154 178.679 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.06 -37.84 84.74 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.558 -0.714 . . . . 0.0 109.866 179.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.417 ' N ' ' O ' ' A' ' 5' ' ' ILE . 61.3 tt0 -56.38 -40.64 74.93 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.273 -0.892 . . . . 0.0 109.244 -179.617 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 66.4 tt0 -61.17 -43.74 98.41 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.167 -0.958 . . . . 0.0 108.882 179.335 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 23.5 tp10 -60.55 -39.82 89.32 Favored 'General case' 0 C--N 1.306 -1.321 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.559 ' O ' ' N ' ' A' ' 16' ' ' HIS . 17.9 t60 -61.59 -48.08 82.55 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.179 -0.951 . . . . 0.0 109.753 179.594 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 34.7 tp10 -60.44 -41.07 93.27 Favored 'General case' 0 C--N 1.296 -1.744 0 O-C-N 121.188 -0.945 . . . . 0.0 110.365 -179.113 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -62.75 -31.25 72.16 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.333 -0.854 . . . . 0.0 112.677 -178.287 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -140.06 -4.17 1.36 Allowed 'General case' 0 N--CA 1.51 2.533 0 O-C-N 120.539 -1.351 . . . . 0.0 111.935 -177.557 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.559 ' N ' ' O ' ' A' ' 12' ' ' HIS . 88.2 m-70 54.97 43.12 30.39 Favored 'General case' 0 N--CA 1.495 1.796 0 N-CA-C 107.349 -1.352 . . . . 0.0 107.349 -177.255 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 90.9 p -64.29 157.27 26.49 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.579 -0.701 . . . . 0.0 110.707 -178.463 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 19.9 m120 -73.36 159.92 32.59 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.406 -0.809 . . . . 0.0 109.318 179.707 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.411 ' CD1' ' HD3' ' A' ' 34' ' ' LYS . 36.5 p-90 -57.36 -29.39 63.98 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.182 -0.949 . . . . 0.0 109.851 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -63.97 -40.04 95.5 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.018 -1.051 . . . . 0.0 109.822 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.49 -49.63 58.28 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.145 -0.972 . . . . 0.0 109.267 -179.709 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 78.9 mtm -60.2 -41.02 92.1 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.228 -0.92 . . . . 0.0 109.5 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.521 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -56.76 -46.7 81.28 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.186 -0.946 . . . . 0.0 109.608 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 7.7 t -69.8 -37.32 76.26 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.171 -0.956 . . . . 0.0 110.565 -179.692 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -60.36 -39.98 89.11 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.266 -0.896 . . . . 0.0 110.435 -178.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -111.05 0.9 17.09 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.432 -0.793 . . . . 0.0 109.765 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.521 ' N ' ' O ' ' A' ' 23' ' ' ALA . 15.2 m120 55.01 47.16 22.72 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.593 -0.692 . . . . 0.0 109.969 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 45.1 mt -112.6 151.69 44.1 Favored Pre-proline 0 N--CA 1.503 2.201 0 O-C-N 121.226 -0.922 . . . . 0.0 108.873 179.644 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -58.78 162.14 13.7 Favored 'Trans proline' 0 C--N 1.312 -1.345 0 C-N-CA 121.431 1.421 . . . . 0.0 111.41 179.655 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -56.7 -29.54 80.51 Favored 'Trans proline' 0 C--N 1.304 -1.77 0 C-N-CA 122.412 2.075 . . . . 0.0 111.408 179.482 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.506 HG11 HD11 ' B' ' 5' ' ' ILE . 95.4 t -57.56 -49.33 80.82 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.611 0 O-C-N 121.117 -0.989 . . . . 0.0 109.659 -178.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 59.4 t -68.48 -47.72 75.92 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.914 0 C-N-CA 118.937 -1.105 . . . . 0.0 108.841 -179.617 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.54 -44.53 86.59 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.423 -0.798 . . . . 0.0 110.436 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.411 ' HD3' ' CD1' ' A' ' 19' ' ' TRP . 19.8 mmmt -62.74 -35.66 80.5 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.811 -1.181 . . . . 0.0 109.646 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.5 tm-20 -61.72 -40.05 93.68 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.283 -0.886 . . . . 0.0 110.203 -178.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 26.8 mt -60.12 -40.22 82.76 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 120.787 -1.196 . . . . 0.0 108.67 179.458 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 69.0 t -62.98 -39.6 85.8 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 121.268 -0.895 . . . . 0.0 109.241 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.21 -33.46 72.28 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.392 -0.817 . . . . 0.0 110.25 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 52.5 m -77.68 -27.54 50.82 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.289 -0.882 . . . . 0.0 110.164 -178.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 44.3 t -79.62 104.51 10.27 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.183 -0.948 . . . . 0.0 109.236 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -60.12 -31.37 69.99 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.327 -0.858 . . . . 0.0 110.587 -179.499 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -69.27 -43.34 74.12 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.949 -1.095 . . . . 0.0 110.653 -179.114 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 88.3 m -84.42 -32.39 24.13 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.92 -1.113 . . . . 0.0 110.269 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 . . . . . 0 N--CA 1.495 1.824 0 O-C-N 121.07 -1.019 . . . . 0.0 111.066 -178.587 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 . . . . . 0 N--CA 1.49 1.543 0 CA-C-O 121.366 0.603 . . . . 0.0 109.923 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 16.5 mt -74.03 -40.32 62.94 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.468 -0.77 . . . . 0.0 111.499 -178.107 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -65.99 -42.11 90.21 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.634 -1.291 . . . . 0.0 110.674 -178.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.71 -47.81 46.37 Favored Glycine 0 N--CA 1.489 2.19 0 N-CA-C 109.671 -1.372 . . . . 0.0 109.671 -179.65 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . 0.506 HD11 HG11 ' A' ' 31' ' ' VAL . 90.1 mt -60.01 -38.83 78.31 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.526 0 O-C-N 121.425 -1.044 . . . . 0.0 110.274 -179.651 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -55.41 -46.36 76.64 Favored 'General case' 0 C--N 1.296 -1.723 0 O-C-N 120.77 -1.206 . . . . 0.0 109.13 -179.371 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -69.06 -42.26 76.51 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.949 -1.095 . . . . 0.0 108.929 178.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.43 -36.94 82.24 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.402 -0.811 . . . . 0.0 109.893 179.615 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . 0.429 ' N ' ' O ' ' B' ' 5' ' ' ILE . 61.0 tt0 -57.58 -40.45 79.03 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.439 -0.788 . . . . 0.0 109.118 -179.3 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 69.2 tt0 -61.12 -43.7 98.48 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.27 -0.894 . . . . 0.0 108.861 179.238 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 25.7 tp10 -60.43 -40.95 92.9 Favored 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 179.634 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 12' ' ' HIS . . . . . 0.565 ' O ' ' N ' ' B' ' 16' ' ' HIS . 17.4 t60 -60.98 -46.16 91.87 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.249 -0.907 . . . . 0.0 110.246 179.77 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 34.2 tp10 -61.97 -41.31 97.87 Favored 'General case' 0 C--N 1.298 -1.647 0 O-C-N 121.072 -1.017 . . . . 0.0 110.284 -179.296 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 57.1 mtpt -62.62 -31.63 72.51 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.562 -0.711 . . . . 0.0 112.615 -178.014 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -139.11 -6.38 1.41 Allowed 'General case' 0 N--CA 1.506 2.359 0 O-C-N 120.576 -1.328 . . . . 0.0 111.934 -177.567 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.565 ' N ' ' O ' ' B' ' 12' ' ' HIS . 87.7 m-70 56.52 44.2 24.53 Favored 'General case' 0 N--CA 1.497 1.919 0 N-CA-C 107.075 -1.454 . . . . 0.0 107.075 -177.051 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 91.0 p -65.26 157.0 30.17 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.595 -0.691 . . . . 0.0 110.676 -178.451 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -73.75 159.04 33.53 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.473 -0.767 . . . . 0.0 109.044 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 42.3 p-90 -56.53 -29.43 61.89 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.066 -1.021 . . . . 0.0 110.257 -179.423 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -63.86 -39.91 95.32 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.946 -1.096 . . . . 0.0 110.225 -179.583 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.64 -49.49 58.76 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.304 -0.872 . . . . 0.0 109.163 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 78.6 mtm -60.35 -40.12 89.58 Favored 'General case' 0 C--N 1.301 -1.505 0 C-N-CA 119.371 -0.932 . . . . 0.0 109.5 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.504 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -58.14 -45.65 87.01 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.246 -0.909 . . . . 0.0 109.454 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 7.6 t -70.56 -37.04 73.96 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.445 -0.784 . . . . 0.0 110.536 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -61.23 -40.25 93.3 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.052 -1.03 . . . . 0.0 110.132 -178.674 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -110.16 1.6 18.87 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.587 -0.696 . . . . 0.0 109.527 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.504 ' N ' ' O ' ' B' ' 23' ' ' ALA . 15.3 m120 54.16 48.34 21.15 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.376 -0.827 . . . . 0.0 109.86 179.645 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 47.2 mt -113.57 152.75 45.66 Favored Pre-proline 0 N--CA 1.503 2.195 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -59.72 162.25 16.08 Favored 'Trans proline' 0 C--N 1.312 -1.379 0 C-N-CA 121.349 1.366 . . . . 0.0 111.115 179.567 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_endo -56.88 -29.93 83.62 Favored 'Trans proline' 0 C--N 1.302 -1.915 0 C-N-CA 122.461 2.107 . . . . 0.0 111.628 179.393 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.498 HG11 HD11 ' A' ' 5' ' ' ILE . 96.1 t -57.13 -47.88 83.04 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.572 0 O-C-N 121.228 -0.92 . . . . 0.0 109.861 -179.419 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 57.3 t -70.01 -48.38 63.18 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.801 0 C-N-CA 118.591 -1.244 . . . . 0.0 108.959 -179.645 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.09 -43.53 91.82 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.393 -0.817 . . . . 0.0 110.653 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 19.9 mmmt -62.97 -36.13 82.47 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.739 -1.226 . . . . 0.0 109.719 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.4 tm-20 -61.21 -40.06 92.54 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.385 -0.822 . . . . 0.0 110.101 -179.064 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 23.3 mt -60.38 -40.01 82.72 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 120.774 -1.204 . . . . 0.0 108.576 179.445 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 63.1 t -63.4 -38.83 83.22 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 121.272 -0.892 . . . . 0.0 109.242 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . 0.503 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -61.1 -34.7 75.36 Favored 'General case' 0 C--N 1.298 -1.653 0 O-C-N 121.445 -0.784 . . . . 0.0 110.223 -179.744 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 56.7 m -76.11 -27.6 57.17 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.304 -0.873 . . . . 0.0 110.18 -179.117 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 44.0 t -80.37 104.56 11.0 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.118 -0.989 . . . . 0.0 109.56 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 80.9 m-20 -60.11 -31.77 70.37 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.454 -0.779 . . . . 0.0 110.829 -179.657 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -68.74 -42.53 77.45 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.756 -1.215 . . . . 0.0 110.138 -179.148 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 84.6 m -85.44 -31.89 22.6 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.94 -1.1 . . . . 0.0 110.549 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . 0.503 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 49.5 tt0 . . . . . 0 N--CA 1.497 1.903 0 O-C-N 121.047 -1.033 . . . . 0.0 110.754 -178.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . 0.442 ' O ' HD12 ' A' ' 5' ' ' ILE . 64.0 m-85 . . . . . 0 N--CA 1.492 1.63 0 CA-C-O 121.04 0.448 . . . . 0.0 110.289 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 40.4 mt -74.55 -19.59 60.28 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.078 -1.014 . . . . 0.0 111.532 -178.161 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.509 ' OD1' ' N ' ' A' ' 4' ' ' GLY . 31.5 p-10 -67.94 -61.35 1.91 Allowed 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.83 -1.169 . . . . 0.0 111.367 -178.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.509 ' N ' ' OD1' ' A' ' 3' ' ' ASP . . . -63.36 -41.57 99.4 Favored Glycine 0 N--CA 1.493 2.475 0 C-N-CA 119.881 -1.152 . . . . 0.0 110.275 -179.116 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.461 ' O ' ' N ' ' A' ' 9' ' ' GLN . 97.0 mt -59.04 -40.53 80.96 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.547 0 O-C-N 121.134 -1.215 . . . . 0.0 110.702 -179.399 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 60.9 t0 -55.6 -47.81 75.88 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.831 -1.168 . . . . 0.0 109.055 -179.455 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 7.3 tmtt? -68.98 -47.75 64.8 Favored 'General case' 0 C--N 1.298 -1.661 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 179.295 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.93 -33.37 74.15 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.259 -0.901 . . . . 0.0 110.184 179.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.461 ' N ' ' O ' ' A' ' 5' ' ' ILE . 7.2 tt0 -59.14 -39.82 83.59 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.12 -0.988 . . . . 0.0 109.028 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -60.02 -42.27 93.96 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.435 -0.791 . . . . 0.0 109.052 179.151 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.7 tm-20 -60.02 -40.21 88.49 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.232 -0.918 . . . . 0.0 109.277 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.52 ' O ' ' N ' ' A' ' 16' ' ' HIS . 13.9 t60 -63.04 -43.85 97.51 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.104 -0.997 . . . . 0.0 109.896 179.492 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 -61.44 -43.26 99.18 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.247 -0.908 . . . . 0.0 110.145 -179.475 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 52.3 mtpt -62.02 -35.82 79.7 Favored 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 112.689 0.626 . . . . 0.0 112.689 -178.174 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -135.4 -4.56 2.33 Favored 'General case' 0 N--CA 1.506 2.349 0 O-C-N 120.765 -1.21 . . . . 0.0 112.87 -176.667 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.52 ' N ' ' O ' ' A' ' 12' ' ' HIS . 89.3 m-70 55.65 40.73 30.97 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 120.622 -1.299 . . . . 0.0 107.523 -177.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 78.8 p -60.52 156.82 15.46 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.535 -0.728 . . . . 0.0 110.766 -178.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 -73.64 156.45 37.99 Favored 'General case' 0 N--CA 1.49 1.572 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 179.251 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 44.8 p-90 -57.89 -30.19 65.66 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.104 -0.998 . . . . 0.0 110.211 -179.58 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -62.41 -40.2 95.77 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.845 -1.159 . . . . 0.0 109.524 179.71 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.29 -49.48 55.57 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.52 -0.738 . . . . 0.0 109.448 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 77.4 mtm -60.19 -40.37 89.81 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.025 -1.047 . . . . 0.0 109.43 178.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.421 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -57.29 -49.2 76.82 Favored 'General case' 0 C--N 1.303 -1.435 0 C-N-CA 119.171 -1.012 . . . . 0.0 108.764 -179.562 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 42.1 m -70.42 -34.05 72.06 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.665 -0.647 . . . . 0.0 110.389 179.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 84.4 m-20 -60.02 -42.03 93.44 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.963 -1.086 . . . . 0.0 109.941 -178.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -110.78 1.8 18.0 Favored 'General case' 0 N--CA 1.504 2.235 0 O-C-N 121.283 -0.886 . . . . 0.0 110.77 -179.633 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.421 ' N ' ' O ' ' A' ' 23' ' ' ALA . 56.2 m-20 58.89 48.61 10.86 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.282 -0.886 . . . . 0.0 109.758 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 80.8 mt -114.07 150.56 43.78 Favored Pre-proline 0 N--CA 1.503 2.205 0 O-C-N 121.475 -0.765 . . . . 0.0 108.974 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -60.35 160.69 22.54 Favored 'Trans proline' 0 N--CA 1.488 1.198 0 C-N-CA 121.753 1.635 . . . . 0.0 111.599 179.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -55.23 -36.2 92.86 Favored 'Trans proline' 0 C--N 1.308 -1.578 0 C-N-CA 122.858 2.372 . . . . 0.0 112.31 -179.05 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 98.4 t -56.71 -46.73 83.14 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.649 0 O-C-N 121.133 -0.979 . . . . 0.0 109.41 -179.127 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 60.8 t -68.14 -50.08 61.6 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.788 0 C-N-CA 118.169 -1.413 . . . . 0.0 109.629 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.07 -47.93 80.82 Favored 'General case' 0 C--N 1.298 -1.647 0 O-C-N 121.337 -0.852 . . . . 0.0 110.11 -179.694 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -62.11 -35.9 80.11 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.706 -1.246 . . . . 0.0 110.399 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.3 tm-20 -60.43 -39.55 87.87 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.115 -0.991 . . . . 0.0 109.696 -179.042 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 73.9 mt -60.48 -40.36 84.05 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.391 0 O-C-N 120.718 -1.239 . . . . 0.0 109.165 179.698 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 90.8 t -63.43 -39.06 83.88 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.398 0 N-CA-C 108.601 -0.889 . . . . 0.0 108.601 178.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.83 -31.81 71.21 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.569 -0.707 . . . . 0.0 109.441 179.65 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 26.7 m -78.39 -24.72 46.15 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.204 -0.935 . . . . 0.0 109.406 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 43.4 t -82.64 102.2 11.31 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.285 -0.885 . . . . 0.0 109.124 179.463 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 81.7 m-20 -59.67 -30.41 68.74 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.513 -0.742 . . . . 0.0 110.514 -179.554 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 59.6 mttp -69.95 -41.28 74.75 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.94 -1.1 . . . . 0.0 110.886 -178.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 92.8 m -87.03 -19.21 28.98 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 120.912 -1.118 . . . . 0.0 110.192 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 . . . . . 0 N--CA 1.494 1.769 0 O-C-N 121.182 -0.949 . . . . 0.0 110.929 -178.166 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . 0.466 ' O ' HD12 ' B' ' 5' ' ' ILE . 62.4 m-85 . . . . . 0 N--CA 1.495 1.798 0 CA-C-O 121.284 0.564 . . . . 0.0 109.871 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 40.1 mt -74.72 -19.64 60.16 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.148 -0.97 . . . . 0.0 111.025 -178.597 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . 0.491 ' OD1' ' N ' ' B' ' 3' ' ' ASP . 27.7 p-10 -67.76 -62.17 1.54 Allowed 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.625 -1.297 . . . . 0.0 111.448 -178.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 4' ' ' GLY . . . . . 0.468 ' H ' ' CG ' ' B' ' 3' ' ' ASP . . . -62.82 -41.27 99.89 Favored Glycine 0 N--CA 1.494 2.545 0 N-CA-C 110.098 -1.201 . . . . 0.0 110.098 -179.092 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . 0.466 HD12 ' O ' ' B' ' 1' ' ' PHE . 97.2 mt -59.43 -39.8 80.08 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.604 0 O-C-N 121.402 -1.058 . . . . 0.0 111.101 -179.309 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 61.1 t0 -56.93 -47.37 80.76 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.531 -1.356 . . . . 0.0 108.748 -179.701 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 6.9 tmtt? -68.73 -48.34 64.04 Favored 'General case' 0 C--N 1.3 -1.562 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 179.033 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.01 -34.56 75.02 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.284 -0.885 . . . . 0.0 110.019 179.707 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . 0.461 ' N ' ' O ' ' B' ' 5' ' ' ILE . 6.9 tt0 -57.93 -40.45 80.48 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.035 -1.041 . . . . 0.0 109.176 -179.643 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -60.21 -41.13 92.37 Favored 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 119.357 -0.937 . . . . 0.0 109.205 179.548 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 14.3 tm-20 -60.03 -40.99 91.23 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.163 -0.961 . . . . 0.0 109.024 179.562 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 12' ' ' HIS . . . . . 0.555 ' O ' ' N ' ' B' ' 16' ' ' HIS . 14.6 t60 -62.3 -43.46 98.77 Favored 'General case' 0 C--N 1.304 -1.398 0 C-N-CA 119.344 -0.942 . . . . 0.0 110.024 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -61.65 -43.34 99.05 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.187 -0.946 . . . . 0.0 110.411 -179.627 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 54.0 mtpt -62.31 -34.97 77.64 Favored 'General case' 0 C--N 1.296 -1.722 0 O-C-N 121.554 -0.716 . . . . 0.0 112.749 -178.12 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 -136.21 -3.29 2.21 Favored 'General case' 0 N--CA 1.505 2.323 0 O-C-N 120.975 -1.078 . . . . 0.0 112.684 -176.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.555 ' N ' ' O ' ' B' ' 12' ' ' HIS . 88.4 m-70 54.12 41.38 32.04 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.56 -1.338 . . . . 0.0 107.396 -177.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 84.1 p -60.65 158.2 13.04 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.499 -0.751 . . . . 0.0 110.585 -178.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -74.59 156.72 36.48 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 179.255 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 42.2 p-90 -58.18 -29.89 65.98 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.943 -1.098 . . . . 0.0 110.289 -179.619 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -62.88 -39.72 95.3 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.778 -1.201 . . . . 0.0 109.648 179.64 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.28 -48.92 60.32 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.494 -0.753 . . . . 0.0 109.468 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 78.1 mtm -60.45 -40.18 90.23 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.055 -1.028 . . . . 0.0 109.063 179.184 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.423 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -57.49 -49.62 75.71 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 119.432 -0.907 . . . . 0.0 108.991 -179.849 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 47.1 m -70.81 -32.61 69.73 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.46 -0.775 . . . . 0.0 110.399 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -61.22 -41.6 97.14 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.975 -1.078 . . . . 0.0 110.411 -178.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -111.5 1.99 17.2 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.533 -0.729 . . . . 0.0 110.579 -179.536 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.423 ' N ' ' O ' ' B' ' 23' ' ' ALA . 61.0 m-20 58.48 49.85 10.09 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.389 -0.82 . . . . 0.0 109.717 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 80.0 mt -114.47 150.89 44.59 Favored Pre-proline 0 N--CA 1.501 2.08 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 179.626 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_endo -61.29 160.49 26.77 Favored 'Trans proline' 0 N--CA 1.491 1.364 0 C-N-CA 121.713 1.609 . . . . 0.0 111.589 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_endo -55.06 -35.66 90.92 Favored 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.845 2.363 . . . . 0.0 112.536 -179.055 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 88.2 t -56.92 -47.45 83.17 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.749 0 O-C-N 120.936 -1.102 . . . . 0.0 109.377 -179.372 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 59.5 t -67.46 -50.89 57.67 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.867 0 C-N-CA 118.108 -1.437 . . . . 0.0 109.715 -179.661 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.45 -46.78 86.96 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.179 -0.95 . . . . 0.0 110.544 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -62.68 -36.71 83.8 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.783 -1.198 . . . . 0.0 110.344 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 13.5 tm-20 -59.79 -39.47 85.07 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.035 -1.041 . . . . 0.0 109.822 -178.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 77.0 mt -60.46 -40.37 84.02 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.471 0 O-C-N 120.812 -1.18 . . . . 0.0 109.167 179.709 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 90.8 t -63.62 -39.23 84.57 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.546 0 N-CA-C 108.55 -0.908 . . . . 0.0 108.55 179.108 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . 0.494 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -60.32 -31.95 70.77 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.273 -0.892 . . . . 0.0 109.286 179.576 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 31.5 m -78.06 -24.15 47.81 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.242 -0.911 . . . . 0.0 109.593 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 42.0 t -83.45 102.09 11.83 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.272 -0.893 . . . . 0.0 108.797 179.358 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -60.02 -29.24 68.37 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.452 -0.78 . . . . 0.0 110.349 -179.295 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 60.7 mttp -70.92 -40.66 71.98 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.911 -1.118 . . . . 0.0 110.807 -178.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 93.6 m -87.36 -19.13 28.59 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 120.839 -1.163 . . . . 0.0 109.906 179.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . 0.494 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 44.6 tt0 . . . . . 0 N--CA 1.494 1.757 0 O-C-N 121.101 -0.999 . . . . 0.0 111.008 -178.256 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . 0.499 ' O ' HD12 ' A' ' 5' ' ' ILE . 67.8 m-85 . . . . . 0 N--CA 1.493 1.693 0 CA-C-O 121.7 0.762 . . . . 0.0 109.987 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 41.6 mt -69.97 -35.83 74.74 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.411 -0.805 . . . . 0.0 111.049 -178.27 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -67.09 -54.2 23.73 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.026 -1.046 . . . . 0.0 110.805 -178.48 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.45 -46.18 94.35 Favored Glycine 0 N--CA 1.49 2.258 0 N-CA-C 109.783 -1.327 . . . . 0.0 109.783 -179.603 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.499 HD12 ' O ' ' A' ' 1' ' ' PHE . 85.7 mt -59.8 -39.86 81.02 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.443 0 O-C-N 121.622 -0.928 . . . . 0.0 110.005 -179.75 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -53.51 -44.8 69.38 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 120.971 -1.081 . . . . 0.0 109.351 -179.245 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -69.46 -42.16 75.27 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.126 -0.984 . . . . 0.0 109.424 179.275 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.46 -37.34 82.78 Favored 'General case' 0 C--N 1.3 -1.567 0 C-N-CA 120.066 -0.654 . . . . 0.0 109.294 179.671 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -56.32 -41.36 75.9 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.527 -0.733 . . . . 0.0 109.1 -179.239 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 27.4 tp10 -61.98 -40.27 95.05 Favored 'General case' 0 C--N 1.305 -1.33 0 C-N-CA 118.931 -1.107 . . . . 0.0 108.605 179.025 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 22.3 tp10 -61.34 -40.42 94.18 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.358 -0.839 . . . . 0.0 109.467 179.489 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.503 ' O ' ' N ' ' A' ' 16' ' ' HIS . 16.3 t60 -62.41 -45.5 92.84 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.243 -0.91 . . . . 0.0 109.666 179.798 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -60.22 -40.5 90.37 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.35 -0.844 . . . . 0.0 110.454 -179.251 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt -63.58 -39.85 95.45 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.522 -0.736 . . . . 0.0 112.884 -178.383 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -132.34 -0.16 3.66 Favored 'General case' 0 N--CA 1.507 2.419 0 O-C-N 121.031 -1.043 . . . . 0.0 112.562 -176.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.503 ' N ' ' O ' ' A' ' 12' ' ' HIS . 86.5 m-70 52.65 42.32 31.55 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.37 -1.456 . . . . 0.0 107.417 -177.832 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 79.5 p -62.99 153.86 32.46 Favored 'General case' 0 C--N 1.3 -1.564 0 C-N-CA 120.131 -0.628 . . . . 0.0 110.164 -178.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -74.15 161.17 30.26 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.428 -0.795 . . . . 0.0 109.127 179.593 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 39.4 p-90 -58.04 -30.26 66.02 Favored 'General case' 0 N--CA 1.49 1.545 0 C-N-CA 119.829 -0.748 . . . . 0.0 110.514 -179.285 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 84.4 mtm180 -63.89 -40.48 96.62 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.975 -1.078 . . . . 0.0 109.857 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.33 -48.23 62.05 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.439 -0.788 . . . . 0.0 109.521 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 74.5 mtm -61.55 -40.66 95.48 Favored 'General case' 0 C--N 1.297 -1.678 0 O-C-N 121.543 -0.723 . . . . 0.0 109.567 179.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.474 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -57.97 -48.03 81.21 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.151 -0.968 . . . . 0.0 109.082 179.795 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 8.6 t -69.72 -36.48 75.92 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.042 -1.036 . . . . 0.0 110.216 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 81.7 m-20 -60.04 -40.38 89.18 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.309 -0.869 . . . . 0.0 110.536 -179.176 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -111.51 3.17 17.85 Favored 'General case' 0 N--CA 1.503 2.206 0 O-C-N 121.315 -0.866 . . . . 0.0 110.077 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.474 ' N ' ' O ' ' A' ' 23' ' ' ALA . 48.9 m-20 55.74 48.08 19.09 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.517 -0.739 . . . . 0.0 109.923 179.453 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 80.4 mt -113.67 151.82 44.93 Favored Pre-proline 0 N--CA 1.5 2.041 0 O-C-N 121.185 -0.947 . . . . 0.0 108.966 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 28.2 Cg_endo -61.97 148.96 92.08 Favored 'Trans proline' 0 N--CA 1.491 1.356 0 C-N-CA 121.501 1.467 . . . . 0.0 111.638 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_exo -41.79 -38.28 4.5 Favored 'Trans proline' 0 C--N 1.312 -1.358 0 C-N-CA 122.16 1.907 . . . . 0.0 111.925 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 77.1 t -52.79 -51.54 35.41 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.705 0 O-C-N 121.366 -0.834 . . . . 0.0 110.367 -178.648 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.423 HG13 HD11 ' A' ' 5' ' ' ILE . 77.0 t -66.02 -47.34 85.44 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.013 0 C-N-CA 118.091 -1.444 . . . . 0.0 109.557 -179.029 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.49 -45.36 83.93 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.244 -0.91 . . . . 0.0 110.31 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 40.2 mtmt -63.3 -36.07 82.46 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 120.778 -1.201 . . . . 0.0 110.758 -179.741 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.2 tm-20 -60.51 -37.86 82.5 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 119.053 -1.059 . . . . 0.0 109.372 -179.112 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 62.8 mt -60.04 -39.91 81.69 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 120.859 -1.151 . . . . 0.0 108.632 179.267 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 92.3 t -63.39 -38.28 81.75 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 179.013 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.54 -32.18 70.09 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.698 -0.627 . . . . 0.0 109.364 179.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 59.3 m -79.53 -26.85 41.38 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.133 -0.98 . . . . 0.0 109.279 179.606 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 41.5 t -82.28 102.36 11.13 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.087 -1.008 . . . . 0.0 109.354 179.682 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -60.0 -31.45 69.94 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.518 -0.739 . . . . 0.0 110.427 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -69.23 -43.02 74.89 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.918 -1.114 . . . . 0.0 110.645 -178.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 98.9 m -84.96 -19.12 32.61 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.703 -1.248 . . . . 0.0 109.828 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 . . . . . 0 C--N 1.302 -1.481 0 O-C-N 121.122 -0.986 . . . . 0.0 109.743 -179.414 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . 0.467 ' O ' HD12 ' B' ' 5' ' ' ILE . 64.7 m-85 . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 121.694 0.759 . . . . 0.0 110.037 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 38.7 mt -70.85 -36.01 72.68 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.446 -0.784 . . . . 0.0 111.362 -177.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 51.0 t0 -66.93 -52.42 43.23 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.978 -1.076 . . . . 0.0 111.083 -178.583 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.6 -44.87 94.41 Favored Glycine 0 N--CA 1.49 2.246 0 N-CA-C 109.831 -1.308 . . . . 0.0 109.831 -179.418 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . 0.467 HD12 ' O ' ' B' ' 1' ' ' PHE . 86.9 mt -60.14 -39.53 80.81 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.491 -1.005 . . . . 0.0 109.97 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 61.6 t0 -53.64 -45.12 70.08 Favored 'General case' 0 C--N 1.3 -1.579 0 C-N-CA 119.555 -0.858 . . . . 0.0 109.144 -179.058 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 62.1 mttp -69.48 -42.11 75.26 Favored 'General case' 0 C--N 1.301 -1.531 0 C-N-CA 119.306 -0.958 . . . . 0.0 109.223 179.333 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.61 -36.47 80.91 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.589 -0.694 . . . . 0.0 109.219 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . 0.406 ' N ' ' O ' ' B' ' 5' ' ' ILE . 58.3 tt0 -57.31 -41.51 80.04 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.468 -0.77 . . . . 0.0 109.169 -179.451 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 28.9 tp10 -61.87 -40.4 95.25 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.009 -1.057 . . . . 0.0 108.464 178.744 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 21.8 tp10 -61.79 -40.3 94.72 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.478 -0.764 . . . . 0.0 109.613 179.39 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 12' ' ' HIS . . . . . 0.542 ' O ' ' N ' ' B' ' 16' ' ' HIS . 15.8 t60 -62.22 -45.3 93.98 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.117 -0.989 . . . . 0.0 109.575 179.639 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -60.28 -42.13 94.79 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.482 -0.761 . . . . 0.0 110.291 -178.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -62.11 -37.55 85.53 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.488 -0.758 . . . . 0.0 112.945 -178.579 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -134.32 -1.32 2.89 Favored 'General case' 0 N--CA 1.505 2.275 0 O-C-N 121.032 -1.043 . . . . 0.0 113.004 -176.692 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.542 ' N ' ' O ' ' B' ' 12' ' ' HIS . 88.0 m-70 53.43 41.18 32.14 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.443 -1.41 . . . . 0.0 107.524 -177.471 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 79.8 p -62.32 154.37 28.08 Favored 'General case' 0 C--N 1.304 -1.403 0 C-N-CA 119.974 -0.69 . . . . 0.0 110.145 -178.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -74.75 162.94 28.23 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.113 -0.992 . . . . 0.0 109.363 179.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 34.4 p-90 -59.29 -29.99 68.0 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.37 -0.831 . . . . 0.0 110.398 -179.479 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 85.1 mtm180 -64.33 -41.23 96.9 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 120.678 -1.264 . . . . 0.0 110.034 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.79 -48.97 62.31 Favored 'General case' 0 C--N 1.303 -1.433 0 C-N-CA 119.854 -0.738 . . . . 0.0 109.109 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 74.4 mtm -60.92 -42.12 97.5 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.347 -0.845 . . . . 0.0 109.502 179.666 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.465 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -56.72 -47.91 78.91 Favored 'General case' 0 C--N 1.299 -1.595 0 C-N-CA 119.376 -0.93 . . . . 0.0 109.062 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 8.4 t -69.69 -37.46 76.62 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.072 -1.018 . . . . 0.0 110.032 -179.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -59.01 -40.25 84.36 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.162 -0.961 . . . . 0.0 110.286 -178.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -111.08 2.34 17.86 Favored 'General case' 0 N--CA 1.504 2.273 0 O-C-N 121.326 -0.859 . . . . 0.0 110.352 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.465 ' N ' ' O ' ' B' ' 23' ' ' ALA . 51.4 m-20 56.07 48.91 16.68 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.405 -0.809 . . . . 0.0 109.917 179.743 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 79.7 mt -115.13 152.27 46.52 Favored Pre-proline 0 N--CA 1.501 2.082 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_endo -61.54 150.48 85.16 Favored 'Trans proline' 0 N--CA 1.494 1.512 0 C-N-CA 121.651 1.568 . . . . 0.0 111.717 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -42.8 -39.3 7.35 Favored 'Trans proline' 0 N--CA 1.488 1.167 0 C-N-CA 121.992 1.795 . . . . 0.0 111.867 179.422 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 70.4 t -51.93 -51.26 30.0 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 121.197 -0.94 . . . . 0.0 110.666 -178.56 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 63.7 t -66.74 -45.91 86.93 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.953 0 C-N-CA 118.314 -1.355 . . . . 0.0 109.455 -179.207 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.07 -46.18 78.64 Favored 'General case' 0 C--N 1.299 -1.587 0 C-N-CA 119.774 -0.771 . . . . 0.0 110.119 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 41.0 mtmt -63.24 -36.1 82.54 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 120.57 -1.331 . . . . 0.0 110.89 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -60.35 -38.44 83.8 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 120.763 -1.21 . . . . 0.0 109.592 -178.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 68.3 mt -59.71 -40.19 81.72 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.344 0 C-N-CA 118.908 -1.117 . . . . 0.0 108.209 179.375 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 95.9 t -63.02 -38.03 80.92 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.852 0 O-C-N 121.342 -0.849 . . . . 0.0 108.847 179.039 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . 0.545 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -59.62 -31.98 70.0 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 179.685 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 49.5 m -79.47 -27.99 41.57 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.232 -0.918 . . . . 0.0 109.287 179.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 40.8 t -82.08 101.19 10.22 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.318 -0.864 . . . . 0.0 109.1 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -59.57 -31.56 69.55 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.29 -0.881 . . . . 0.0 110.466 -179.425 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -68.56 -41.13 80.2 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.714 -1.241 . . . . 0.0 110.874 -178.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 97.2 m -86.75 -19.56 28.93 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.938 -1.101 . . . . 0.0 109.535 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . 0.545 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 7.2 tt0 . . . . . 0 N--CA 1.489 1.492 0 O-C-N 121.22 -0.925 . . . . 0.0 109.582 -179.509 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . 0.501 ' O ' HD12 ' A' ' 5' ' ' ILE . 91.2 m-85 . . . . . 0 N--CA 1.493 1.678 0 CA-C-O 121.462 0.649 . . . . 0.0 109.726 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 16.7 mt -71.8 -33.62 68.71 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.446 -0.783 . . . . 0.0 111.658 -178.037 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.507 ' OD1' ' N ' ' A' ' 3' ' ' ASP . 18.8 p-10 -68.94 -57.72 5.11 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 120.935 -1.103 . . . . 0.0 111.873 -178.183 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.418 ' H ' ' CG ' ' A' ' 3' ' ' ASP . . . -63.28 -44.4 97.04 Favored Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.68 -1.368 . . . . 0.0 109.68 -178.776 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.501 HD12 ' O ' ' A' ' 1' ' ' PHE . 82.8 mt -58.93 -40.13 79.58 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.586 0 O-C-N 121.154 -1.203 . . . . 0.0 109.957 -179.514 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -55.39 -44.02 75.73 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 120.609 -1.307 . . . . 0.0 108.975 -179.423 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -70.26 -47.46 61.21 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.308 -0.87 . . . . 0.0 109.14 178.687 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.27 -34.34 77.88 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.292 -0.88 . . . . 0.0 109.659 179.638 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -56.93 -40.49 76.47 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.326 -0.859 . . . . 0.0 109.424 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -61.72 -41.25 97.37 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.174 -0.954 . . . . 0.0 108.947 179.433 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.4 tm-20 -60.45 -41.84 94.93 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.517 -0.739 . . . . 0.0 109.764 179.684 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.533 ' O ' ' N ' ' A' ' 16' ' ' HIS . 17.4 t60 -60.25 -40.82 91.65 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.19 -0.944 . . . . 0.0 109.449 -179.722 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -61.74 -45.68 92.91 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.664 -0.647 . . . . 0.0 110.637 -179.023 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 33.8 mtmm -62.39 -39.81 94.43 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.185 -0.947 . . . . 0.0 112.458 -178.328 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 49.3 m-85 -126.58 -4.6 6.53 Favored 'General case' 0 N--CA 1.506 2.37 0 O-C-N 120.952 -1.093 . . . . 0.0 113.073 -176.345 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.533 ' N ' ' O ' ' A' ' 12' ' ' HIS . 92.8 m-70 51.78 40.39 27.57 Favored 'General case' 0 N--CA 1.497 1.879 0 N-CA-C 106.777 -1.564 . . . . 0.0 106.777 -176.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 95.4 p -61.36 155.92 20.28 Favored 'General case' 0 C--N 1.303 -1.451 0 CA-C-O 121.438 0.637 . . . . 0.0 110.594 -177.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -73.75 160.79 31.0 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.587 -0.696 . . . . 0.0 109.209 179.691 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 38.6 p-90 -57.98 -30.29 65.92 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.053 -1.029 . . . . 0.0 110.416 -179.435 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 58.0 mtp180 -63.47 -39.9 95.67 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.044 -1.035 . . . . 0.0 109.674 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.15 -49.08 60.04 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.256 -0.902 . . . . 0.0 108.612 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 77.2 mtm -60.08 -40.74 90.61 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.448 -0.782 . . . . 0.0 109.859 179.416 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.504 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -59.63 -48.8 80.25 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.248 -0.908 . . . . 0.0 108.896 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 40.7 t -68.51 -36.47 78.94 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.405 -0.809 . . . . 0.0 110.342 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -60.49 -39.98 89.67 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.211 -0.931 . . . . 0.0 110.546 -178.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -111.85 0.16 16.06 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.48 -0.763 . . . . 0.0 109.619 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.504 ' N ' ' O ' ' A' ' 23' ' ' ALA . 38.0 t-20 58.49 50.44 9.26 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.39 -0.819 . . . . 0.0 109.848 179.151 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 76.0 mt -119.56 152.38 53.04 Favored Pre-proline 0 N--CA 1.5 2.061 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -59.99 163.1 14.67 Favored 'Trans proline' 0 C--N 1.314 -1.27 0 C-N-CA 121.465 1.443 . . . . 0.0 111.347 179.618 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -57.14 -33.38 95.76 Favored 'Trans proline' 0 C--N 1.306 -1.678 0 C-N-CA 122.761 2.307 . . . . 0.0 111.354 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.538 HG11 HD11 ' B' ' 5' ' ' ILE . 60.5 t -53.39 -50.53 47.8 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.72 0 O-C-N 120.816 -1.177 . . . . 0.0 109.472 -179.1 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 61.0 t -67.94 -49.57 67.38 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.73 0 C-N-CA 119.009 -1.077 . . . . 0.0 109.208 -179.466 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.11 -44.72 91.4 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.239 -0.913 . . . . 0.0 110.461 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.489 ' NZ ' ' OE2' ' B' ' 35' ' ' GLU . 8.0 mtmp? -63.16 -35.76 81.35 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.565 -1.335 . . . . 0.0 110.319 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.9 tm-20 -60.03 -39.89 87.44 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 120.996 -1.065 . . . . 0.0 110.342 -179.214 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 54.5 mt -60.55 -40.33 84.12 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.381 0 O-C-N 120.864 -1.148 . . . . 0.0 109.099 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 65.2 t -63.96 -38.78 83.29 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.487 0 O-C-N 121.052 -1.03 . . . . 0.0 108.603 179.345 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.73 -32.09 70.23 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.438 -0.789 . . . . 0.0 110.029 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.8 m -78.27 -21.6 49.57 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.186 -0.946 . . . . 0.0 110.049 -178.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 45.4 t -83.82 105.03 14.4 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.045 -1.034 . . . . 0.0 109.464 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -61.24 -30.78 70.65 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.355 -0.841 . . . . 0.0 110.539 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -69.14 -40.0 78.52 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.87 -1.143 . . . . 0.0 111.139 -178.607 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 66.6 m -84.39 -29.79 25.92 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.113 -0.992 . . . . 0.0 109.688 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 . . . . . 0 N--CA 1.499 2.024 0 O-C-N 121.162 -0.961 . . . . 0.0 111.143 -178.984 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . 0.48 ' O ' HD12 ' B' ' 5' ' ' ILE . 92.4 m-85 . . . . . 0 N--CA 1.49 1.573 0 CA-C-O 121.35 0.595 . . . . 0.0 109.636 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 14.6 mt -70.69 -34.73 72.28 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.517 -0.739 . . . . 0.0 111.557 -178.126 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . 0.535 ' OD1' ' N ' ' B' ' 3' ' ' ASP . 15.6 p-10 -66.3 -59.45 3.71 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.05 -1.031 . . . . 0.0 111.687 -177.825 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.84 -43.56 97.44 Favored Glycine 0 N--CA 1.492 2.367 0 C-N-CA 119.785 -1.198 . . . . 0.0 110.13 -178.511 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . 0.538 HD11 HG11 ' A' ' 31' ' ' VAL . 85.1 mt -59.07 -39.64 78.92 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.533 0 O-C-N 121.084 -1.244 . . . . 0.0 109.919 -179.408 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -55.34 -44.01 75.52 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.738 -1.226 . . . . 0.0 108.648 -179.721 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -70.81 -46.88 62.03 Favored 'General case' 0 C--N 1.298 -1.674 0 O-C-N 120.914 -1.116 . . . . 0.0 109.418 178.698 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.45 -34.03 77.26 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.416 -0.802 . . . . 0.0 109.469 179.544 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . 0.433 ' N ' ' O ' ' B' ' 5' ' ' ILE . 58.1 tt0 -57.16 -40.12 76.62 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.248 -0.907 . . . . 0.0 109.359 179.448 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -62.56 -40.98 98.56 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.107 -0.996 . . . . 0.0 108.875 179.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 14.5 tm-20 -60.9 -41.67 96.52 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.525 -0.734 . . . . 0.0 109.945 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 12' ' ' HIS . . . . . 0.565 ' O ' ' N ' ' B' ' 16' ' ' HIS . 18.8 t60 -60.41 -40.41 90.9 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.893 -1.13 . . . . 0.0 109.205 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -61.22 -46.7 89.34 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.618 -0.676 . . . . 0.0 110.536 -178.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 33.6 mtmm -61.16 -40.26 93.21 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.466 -0.772 . . . . 0.0 112.785 -178.629 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 -127.16 -4.06 6.24 Favored 'General case' 0 N--CA 1.503 2.19 0 O-C-N 121.161 -0.962 . . . . 0.0 113.264 -175.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.565 ' N ' ' O ' ' B' ' 12' ' ' HIS . 92.2 m-70 51.68 39.93 26.28 Favored 'General case' 0 N--CA 1.5 2.037 0 N-CA-C 106.998 -1.482 . . . . 0.0 106.998 -177.366 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 88.9 p -61.76 154.37 25.84 Favored 'General case' 0 C--N 1.3 -1.587 0 CA-C-O 121.681 0.753 . . . . 0.0 110.755 -177.708 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -72.36 159.63 33.7 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.463 -0.773 . . . . 0.0 109.233 179.678 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 34.7 p-90 -56.73 -30.39 63.48 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.327 -0.858 . . . . 0.0 111.015 -179.281 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 54.3 mtp180 -63.53 -40.46 97.08 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.72 -1.237 . . . . 0.0 109.703 179.666 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.9 -48.76 65.14 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.212 -0.93 . . . . 0.0 108.756 -179.637 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 76.9 mtm -61.04 -42.24 98.09 Favored 'General case' 0 N--CA 1.49 1.553 0 C-N-CA 119.942 -0.703 . . . . 0.0 109.622 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.509 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -58.3 -46.38 86.22 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.216 -0.927 . . . . 0.0 109.065 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 41.9 t -69.91 -37.49 75.97 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.56 -0.712 . . . . 0.0 110.578 179.562 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -60.04 -39.98 87.82 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.137 -0.977 . . . . 0.0 110.215 -178.687 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -111.43 -0.53 16.24 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.545 -0.722 . . . . 0.0 109.955 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.509 ' N ' ' O ' ' B' ' 23' ' ' ALA . 33.7 t-20 58.64 49.78 9.86 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.049 -1.032 . . . . 0.0 110.11 179.188 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 68.9 mt -118.89 152.75 52.09 Favored Pre-proline 0 N--CA 1.497 1.9 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 179.636 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -59.81 163.02 14.36 Favored 'Trans proline' 0 N--CA 1.491 1.343 0 C-N-CA 121.481 1.454 . . . . 0.0 111.356 179.545 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -57.54 -30.79 89.66 Favored 'Trans proline' 0 C--N 1.304 -1.765 0 C-N-CA 122.722 2.281 . . . . 0.0 111.645 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.453 HG11 HD11 ' A' ' 5' ' ' ILE . 60.4 t -56.04 -49.61 74.59 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.78 0 O-C-N 120.846 -1.158 . . . . 0.0 109.024 -179.18 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 57.8 t -68.16 -49.29 68.76 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.523 0 C-N-CA 118.875 -1.13 . . . . 0.0 109.317 -179.468 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.39 -44.99 89.61 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.365 -0.835 . . . . 0.0 110.436 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 7.9 mtmp? -63.16 -34.69 78.18 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.61 -1.306 . . . . 0.0 110.327 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . 0.489 ' OE2' ' NZ ' ' A' ' 34' ' ' LYS . 15.6 tm-20 -60.27 -39.83 88.22 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.115 -0.991 . . . . 0.0 109.913 -179.267 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 60.5 mt -60.7 -39.9 83.1 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.456 0 O-C-N 120.773 -1.204 . . . . 0.0 109.389 179.694 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 67.7 t -64.9 -38.42 82.72 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 O-C-N 121.164 -0.96 . . . . 0.0 108.794 179.562 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . 0.512 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -60.48 -32.17 71.17 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.35 -0.844 . . . . 0.0 109.907 179.761 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 15.1 m -77.94 -23.79 48.45 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.245 -0.909 . . . . 0.0 110.011 -178.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 46.6 t -81.86 103.89 11.84 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.207 -0.933 . . . . 0.0 109.642 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -60.46 -30.71 69.85 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.019 -1.051 . . . . 0.0 110.531 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -69.03 -39.51 79.17 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 120.823 -1.173 . . . . 0.0 110.864 -178.724 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 65.3 m -84.52 -28.72 26.5 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.915 -1.115 . . . . 0.0 109.915 -179.729 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . 0.512 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 19.8 tt0 . . . . . 0 N--CA 1.5 2.066 0 O-C-N 121.069 -1.019 . . . . 0.0 111.491 -178.729 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 . . . . . 0 N--CA 1.487 1.4 0 CA-C-O 121.551 0.691 . . . . 0.0 109.377 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 15.5 mt -71.88 -39.86 69.34 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.57 -0.706 . . . . 0.0 110.808 -178.715 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -65.95 -43.89 86.64 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.222 -0.924 . . . . 0.0 111.307 -178.487 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.77 -46.99 42.67 Favored Glycine 0 N--CA 1.491 2.35 0 N-CA-C 109.215 -1.554 . . . . 0.0 109.215 -179.495 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.614 HD11 HG11 ' B' ' 31' ' ' VAL . 81.9 mt -59.96 -37.56 72.8 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.679 0 O-C-N 121.411 -1.052 . . . . 0.0 109.744 179.876 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 50.6 t0 -55.44 -47.13 76.48 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 120.852 -1.155 . . . . 0.0 108.709 -179.44 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -68.06 -45.07 74.88 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.236 -0.915 . . . . 0.0 109.53 179.076 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.83 -36.26 81.94 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.521 -0.737 . . . . 0.0 109.828 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -58.08 -39.84 79.55 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.244 -0.91 . . . . 0.0 109.108 -179.735 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -60.87 -43.81 97.89 Favored 'General case' 0 C--N 1.303 -1.454 0 C-N-CA 119.273 -0.971 . . . . 0.0 108.7 179.164 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.5 tm-20 -61.13 -40.65 94.59 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.309 -0.869 . . . . 0.0 108.899 179.022 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.525 ' O ' ' N ' ' A' ' 16' ' ' HIS . 14.0 t60 -60.49 -44.76 95.62 Favored 'General case' 0 C--N 1.305 -1.334 0 O-C-N 121.246 -0.909 . . . . 0.0 109.595 179.488 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -60.63 -44.89 95.84 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.212 -0.93 . . . . 0.0 110.725 -179.343 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt -60.28 -37.46 80.55 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.388 -0.82 . . . . 0.0 112.557 -178.416 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -133.68 -4.78 2.88 Favored 'General case' 0 N--CA 1.506 2.368 0 O-C-N 120.829 -1.169 . . . . 0.0 113.119 -176.376 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.525 ' N ' ' O ' ' A' ' 12' ' ' HIS . 91.6 m-70 54.72 41.12 32.16 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 120.482 -1.386 . . . . 0.0 107.458 -177.527 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 93.6 p -62.83 156.74 23.21 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.699 -0.626 . . . . 0.0 110.634 -178.441 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 70.4 m-20 -72.95 158.61 35.13 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.47 -0.769 . . . . 0.0 109.354 179.893 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 33.2 p-90 -56.85 -29.89 63.29 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.025 -1.047 . . . . 0.0 110.597 -179.614 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.416 HH11 ' HG2' ' A' ' 20' ' ' ARG . 60.2 mtt-85 -62.48 -39.88 94.87 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 120.99 -1.069 . . . . 0.0 109.637 179.336 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.77 -48.63 63.19 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.138 -0.976 . . . . 0.0 109.477 -179.742 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 77.3 mtm -61.28 -39.88 92.07 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.092 -1.005 . . . . 0.0 109.586 179.607 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.464 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -58.29 -47.6 83.13 Favored 'General case' 0 N--CA 1.488 1.475 0 C-N-CA 119.573 -0.851 . . . . 0.0 109.044 179.877 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 39.2 t -70.37 -37.06 74.51 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.174 -0.954 . . . . 0.0 110.577 179.681 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -60.3 -39.99 88.91 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.131 -0.981 . . . . 0.0 110.655 -178.633 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -111.25 -0.43 16.44 Favored 'General case' 0 N--CA 1.504 2.238 0 O-C-N 121.406 -0.809 . . . . 0.0 110.195 -179.747 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.464 ' N ' ' O ' ' A' ' 23' ' ' ALA . 6.8 m-20 57.42 50.08 11.91 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.517 -0.74 . . . . 0.0 109.511 179.741 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 79.2 mt -114.04 152.41 45.75 Favored Pre-proline 0 N--CA 1.496 1.86 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 179.483 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_endo -58.43 159.68 18.98 Favored 'Trans proline' 0 C--N 1.315 -1.211 0 C-N-CA 121.448 1.432 . . . . 0.0 110.606 179.386 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_endo -55.69 -31.03 78.21 Favored 'Trans proline' 0 C--N 1.298 -2.105 0 C-N-CA 122.46 2.107 . . . . 0.0 112.29 -179.79 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.651 HG11 HD11 ' B' ' 5' ' ' ILE . 93.6 t -58.57 -48.42 85.62 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.603 0 O-C-N 121.337 -0.852 . . . . 0.0 110.384 -178.782 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 63.3 t -66.36 -47.56 83.71 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.966 0 C-N-CA 118.65 -1.22 . . . . 0.0 109.484 -178.619 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.96 -47.99 72.78 Favored 'General case' 0 C--N 1.298 -1.659 0 C-N-CA 119.569 -0.852 . . . . 0.0 110.143 179.919 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 53.1 mtpt -61.12 -34.5 75.07 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 120.762 -1.211 . . . . 0.0 110.559 -179.704 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.6 tm-20 -62.23 -38.7 90.24 Favored 'General case' 0 C--N 1.307 -1.267 0 O-C-N 120.938 -1.101 . . . . 0.0 109.931 -179.124 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 79.2 mt -59.75 -40.39 82.35 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 O-C-N 120.948 -1.095 . . . . 0.0 108.957 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 97.6 t -61.52 -38.44 80.16 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.608 0 O-C-N 121.31 -0.869 . . . . 0.0 109.112 178.774 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.33 -31.92 70.75 Favored 'General case' 0 C--N 1.307 -1.276 0 O-C-N 121.437 -0.789 . . . . 0.0 109.172 179.634 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 22.8 m -78.64 -28.5 45.48 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.476 -0.765 . . . . 0.0 110.372 -179.218 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 46.8 t -81.82 102.46 10.84 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.356 -0.84 . . . . 0.0 109.538 -179.777 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -60.06 -30.88 69.49 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.234 -0.916 . . . . 0.0 110.315 -179.165 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 57.1 mtpt -69.94 -40.12 75.66 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.083 -1.011 . . . . 0.0 110.703 -178.501 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 66.9 m -85.48 -18.27 34.04 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.851 -1.156 . . . . 0.0 109.336 179.349 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 30.6 tt0 . . . . . 0 N--CA 1.49 1.565 0 O-C-N 121.129 -0.982 . . . . 0.0 109.085 -179.411 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 . . . . . 0 N--CA 1.495 1.815 0 CA-C-O 121.769 0.795 . . . . 0.0 109.72 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 15.1 mt -71.93 -39.82 69.19 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.5 -0.75 . . . . 0.0 110.693 -178.77 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -66.32 -43.5 86.0 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.094 -1.004 . . . . 0.0 111.71 -178.516 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.82 -46.78 43.56 Favored Glycine 0 N--CA 1.492 2.406 0 N-CA-C 109.242 -1.543 . . . . 0.0 109.242 -179.517 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . 0.651 HD11 HG11 ' A' ' 31' ' ' VAL . 83.7 mt -59.85 -38.02 74.38 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.636 0 O-C-N 121.461 -1.023 . . . . 0.0 109.751 179.712 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -54.83 -47.07 74.58 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 120.879 -1.138 . . . . 0.0 108.695 -179.685 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -68.58 -44.94 73.32 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.162 -0.961 . . . . 0.0 109.645 179.236 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.27 -35.75 80.15 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.507 -0.746 . . . . 0.0 109.661 -179.961 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . 0.422 ' N ' ' O ' ' B' ' 5' ' ' ILE . 61.8 tt0 -58.17 -40.73 82.18 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.079 -1.013 . . . . 0.0 108.584 -179.577 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -59.79 -43.89 94.19 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 119.134 -1.026 . . . . 0.0 108.866 179.24 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 12.9 tm-20 -61.14 -40.18 92.85 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.069 -1.019 . . . . 0.0 108.934 179.102 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 12' ' ' HIS . . . . . 0.535 ' O ' ' N ' ' B' ' 16' ' ' HIS . 14.6 t60 -61.04 -44.8 96.86 Favored 'General case' 0 N--CA 1.485 1.276 0 O-C-N 121.149 -0.97 . . . . 0.0 109.744 -179.905 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -60.72 -44.48 96.56 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.311 -0.868 . . . . 0.0 110.751 -179.321 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt -60.29 -38.43 83.58 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.311 -0.868 . . . . 0.0 112.668 -178.747 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 51.9 m-85 -132.33 -5.58 3.38 Favored 'General case' 0 N--CA 1.506 2.357 0 O-C-N 120.895 -1.128 . . . . 0.0 113.196 -176.185 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.535 ' N ' ' O ' ' B' ' 12' ' ' HIS . 91.5 m-70 54.94 40.47 32.02 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.508 -1.37 . . . . 0.0 107.366 -177.417 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 97.4 p -62.49 157.52 20.09 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.694 -0.629 . . . . 0.0 110.561 -178.78 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 72.2 m-20 -73.71 159.29 33.21 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.366 -0.834 . . . . 0.0 109.348 179.455 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 32.2 p-90 -57.51 -29.83 64.63 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.272 -0.893 . . . . 0.0 110.165 -179.209 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . 0.424 HH11 ' HG2' ' B' ' 20' ' ' ARG . 59.4 mtt-85 -62.25 -40.06 94.94 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.929 -1.107 . . . . 0.0 109.566 179.44 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.02 -48.73 62.23 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.232 -0.917 . . . . 0.0 109.428 -179.322 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 77.8 mtm -60.9 -39.97 91.35 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.354 -0.841 . . . . 0.0 109.574 179.358 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.472 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -58.32 -47.98 81.98 Favored 'General case' 0 C--N 1.303 -1.425 0 C-N-CA 119.529 -0.869 . . . . 0.0 109.401 179.895 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 38.1 t -70.55 -36.57 73.73 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.278 -0.888 . . . . 0.0 110.146 179.725 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -60.49 -39.87 89.27 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.047 -1.033 . . . . 0.0 110.744 -178.679 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -111.11 -1.42 16.23 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.491 -0.756 . . . . 0.0 110.177 -179.773 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.472 ' N ' ' O ' ' B' ' 23' ' ' ALA . 5.8 m-20 58.32 50.01 10.2 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.233 -0.917 . . . . 0.0 109.914 -179.961 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 81.3 mt -114.51 152.29 46.02 Favored Pre-proline 0 N--CA 1.5 2.029 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 179.68 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_endo -58.56 159.21 20.81 Favored 'Trans proline' 0 C--N 1.316 -1.183 0 C-N-CA 121.166 1.244 . . . . 0.0 110.627 179.215 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_endo -55.01 -31.76 75.97 Favored 'Trans proline' 0 C--N 1.3 -1.989 0 C-N-CA 122.27 1.98 . . . . 0.0 112.554 -179.654 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.614 HG11 HD11 ' A' ' 5' ' ' ILE . 83.7 t -57.96 -48.38 84.23 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.573 0 O-C-N 121.266 -0.896 . . . . 0.0 110.341 -178.724 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 63.9 t -66.57 -47.21 84.19 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.925 0 C-N-CA 118.219 -1.393 . . . . 0.0 109.656 -178.799 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.85 -48.13 72.64 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 121.246 -0.909 . . . . 0.0 109.957 179.925 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 51.4 mtpt -60.96 -34.93 75.51 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 120.932 -1.105 . . . . 0.0 110.615 -179.496 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 14.6 tm-20 -61.75 -39.08 90.33 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.232 -0.918 . . . . 0.0 110.0 -179.029 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 83.6 mt -59.95 -39.59 80.58 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 121.086 -1.009 . . . . 0.0 109.191 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 94.9 t -61.97 -38.76 81.5 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.604 0 O-C-N 121.166 -0.959 . . . . 0.0 108.668 178.947 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . 0.482 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -59.89 -31.44 69.8 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.347 -0.845 . . . . 0.0 109.286 179.608 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 19.0 m -79.94 -27.2 39.85 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.378 -0.827 . . . . 0.0 110.181 -179.171 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 47.3 t -82.69 102.81 11.75 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.089 -1.007 . . . . 0.0 109.21 179.918 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -60.35 -30.06 69.3 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.275 -0.891 . . . . 0.0 110.408 -179.438 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 57.0 mtpt -70.3 -40.74 74.05 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.341 -0.849 . . . . 0.0 110.673 -178.896 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 68.2 m -85.44 -17.95 35.06 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.83 -1.169 . . . . 0.0 109.163 179.567 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . 0.482 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 27.6 tt0 . . . . . 0 C--N 1.302 -1.481 0 O-C-N 121.009 -1.057 . . . . 0.0 109.303 -179.497 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . 0.53 ' O ' HD12 ' A' ' 5' ' ' ILE . 66.8 m-85 . . . . . 0 N--CA 1.492 1.672 0 CA-C-O 121.518 0.675 . . . . 0.0 109.448 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 18.7 mt -72.51 -23.03 60.95 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.548 -0.72 . . . . 0.0 111.048 -178.716 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 55.3 t0 -68.07 -64.3 0.89 Allowed 'General case' 0 N--CA 1.497 1.916 0 O-C-N 120.834 -1.166 . . . . 0.0 111.358 -178.427 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.44 -40.87 99.63 Favored Glycine 0 N--CA 1.493 2.449 0 N-CA-C 109.853 -1.299 . . . . 0.0 109.853 -178.965 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.6 HD11 HG13 ' A' ' 32' ' ' VAL . 96.4 mt -59.59 -40.25 81.6 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.124 -1.221 . . . . 0.0 110.342 -179.748 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 58.2 t0 -55.37 -48.49 74.21 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 120.841 -1.162 . . . . 0.0 108.537 -179.972 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 30.5 ttmt -67.97 -43.31 79.29 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.172 -0.955 . . . . 0.0 109.192 178.907 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.58 -35.85 81.88 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.217 -0.927 . . . . 0.0 109.094 179.631 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 5' ' ' ILE . 0.9 OUTLIER -56.81 -40.9 76.83 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.273 -0.892 . . . . 0.0 109.221 -179.642 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 44.6 tp10 -60.36 -41.84 94.53 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.062 -1.024 . . . . 0.0 108.884 179.177 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.3 tm-20 -59.92 -41.54 91.94 Favored 'General case' 0 N--CA 1.491 1.585 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 179.241 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.565 ' O ' ' N ' ' A' ' 16' ' ' HIS . 14.9 t60 -60.68 -46.05 91.83 Favored 'General case' 0 C--N 1.303 -1.415 0 C-N-CA 119.766 -0.774 . . . . 0.0 109.392 179.722 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 24.6 tp10 -60.84 -42.44 97.78 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 121.185 -0.947 . . . . 0.0 110.307 -179.147 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.2 mtpp -62.94 -30.5 71.61 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.544 -0.723 . . . . 0.0 112.77 -178.409 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 48.6 m-85 -138.12 -6.3 1.62 Allowed 'General case' 0 N--CA 1.506 2.328 0 O-C-N 120.75 -1.219 . . . . 0.0 112.271 -177.036 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.565 ' N ' ' O ' ' A' ' 12' ' ' HIS . 84.2 m-70 53.27 41.81 32.12 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.45 -1.406 . . . . 0.0 107.357 -177.996 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 88.9 p -65.18 157.0 29.94 Favored 'General case' 0 C--N 1.302 -1.461 0 CA-C-O 121.543 0.687 . . . . 0.0 110.786 -178.533 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -73.47 156.5 38.15 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.612 -0.68 . . . . 0.0 109.712 179.897 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 46.7 p-90 -54.61 -29.78 52.83 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.311 -0.868 . . . . 0.0 109.836 -179.945 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 83.0 mtm180 -62.16 -40.99 97.84 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.959 -1.088 . . . . 0.0 109.762 -179.842 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.18 -48.46 57.15 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.376 -0.827 . . . . 0.0 109.401 -179.9 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 78.6 mtm -60.98 -39.84 91.15 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.311 -0.868 . . . . 0.0 109.375 179.87 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.461 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -58.21 -49.45 77.01 Favored 'General case' 0 C--N 1.303 -1.423 0 C-N-CA 119.365 -0.934 . . . . 0.0 109.111 179.571 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 44.7 t -69.7 -35.35 75.0 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.337 -0.852 . . . . 0.0 110.058 179.618 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 58.4 t0 -59.96 -40.78 90.19 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.272 -0.892 . . . . 0.0 110.552 -179.158 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -112.08 2.42 16.78 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.448 -0.783 . . . . 0.0 110.384 -179.98 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.461 ' N ' ' O ' ' A' ' 23' ' ' ALA . 15.3 m120 56.86 47.85 17.12 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.213 -0.929 . . . . 0.0 109.982 179.268 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 64.9 mt -113.19 152.9 45.47 Favored Pre-proline 0 N--CA 1.498 1.936 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 179.703 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -62.06 147.88 94.24 Favored 'Trans proline' 0 N--CA 1.492 1.431 0 C-N-CA 121.595 1.53 . . . . 0.0 111.446 179.629 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo -41.51 -37.04 3.27 Favored 'Trans proline' 0 C--N 1.314 -1.262 0 C-N-CA 122.065 1.844 . . . . 0.0 111.973 -179.965 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 42.3 t -52.95 -50.2 45.27 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.869 0 O-C-N 121.329 -0.857 . . . . 0.0 110.528 -178.469 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.6 HG13 HD11 ' A' ' 5' ' ' ILE . 98.7 t -66.9 -46.77 84.32 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.818 0 C-N-CA 118.688 -1.205 . . . . 0.0 109.611 -179.156 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.68 -42.11 82.62 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.382 -0.824 . . . . 0.0 109.912 -179.863 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.2 mmmm -60.65 -37.96 83.23 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.068 -1.02 . . . . 0.0 109.848 -179.855 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.3 tm-20 -62.22 -39.76 93.86 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.189 -0.944 . . . . 0.0 110.748 -178.53 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 61.9 mt -60.31 -39.62 81.42 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 O-C-N 120.772 -1.205 . . . . 0.0 108.28 179.733 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 55.4 t -64.77 -39.6 86.19 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 121.265 -0.897 . . . . 0.0 108.988 178.971 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.401 ' O ' ' OE1' ' A' ' 44' ' ' GLN . . . -62.1 -34.16 75.8 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.45 -0.781 . . . . 0.0 109.276 179.664 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 58.1 m -77.32 -26.18 51.89 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.137 -0.977 . . . . 0.0 110.14 -179.09 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 35.3 t -81.32 104.76 12.0 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.996 -1.065 . . . . 0.0 108.731 179.532 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -60.32 -30.09 69.29 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.48 -0.762 . . . . 0.0 110.525 -178.94 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -70.42 -41.09 73.39 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.143 -0.973 . . . . 0.0 110.048 -179.173 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 87.3 m -87.61 -27.31 22.59 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 120.958 -1.089 . . . . 0.0 109.664 179.891 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.401 ' OE1' ' O ' ' A' ' 38' ' ' ALA . 15.9 tt0 . . . . . 0 N--CA 1.489 1.511 0 O-C-N 121.439 -0.788 . . . . 0.0 109.185 -179.484 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . 0.514 ' O ' HD12 ' B' ' 5' ' ' ILE . 65.6 m-85 . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 121.455 0.645 . . . . 0.0 109.44 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 20.1 mt -72.62 -22.53 60.94 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.582 -0.699 . . . . 0.0 111.099 -178.63 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -68.14 -64.8 0.79 Allowed 'General case' 0 N--CA 1.497 1.911 0 O-C-N 120.91 -1.119 . . . . 0.0 111.288 -178.43 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.3 -40.55 99.17 Favored Glycine 0 N--CA 1.493 2.464 0 N-CA-C 110.151 -1.179 . . . . 0.0 110.151 -178.984 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . 0.611 HD11 HG13 ' B' ' 32' ' ' VAL . 96.1 mt -59.94 -40.02 81.78 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.485 0 O-C-N 121.253 -1.146 . . . . 0.0 110.09 -179.594 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 58.5 t0 -55.5 -48.45 74.6 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.008 -1.058 . . . . 0.0 108.249 -179.82 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 29.8 ttmt -67.99 -43.39 79.01 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.248 -0.908 . . . . 0.0 109.066 179.02 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.68 -35.49 80.73 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.307 -0.87 . . . . 0.0 109.304 179.655 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . 0.419 ' N ' ' O ' ' B' ' 5' ' ' ILE . 0.9 OUTLIER -57.14 -40.7 77.69 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.299 -0.875 . . . . 0.0 109.212 -179.554 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 45.0 tp10 -60.22 -41.9 94.05 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.161 -0.962 . . . . 0.0 108.67 178.945 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 13.1 tm-20 -60.25 -41.33 92.97 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.345 -0.847 . . . . 0.0 109.007 179.051 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 12' ' ' HIS . . . . . 0.552 ' O ' ' N ' ' B' ' 16' ' ' HIS . 14.6 t60 -60.79 -45.57 93.85 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.209 -0.932 . . . . 0.0 109.655 179.586 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 23.9 tp10 -61.04 -42.85 99.26 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.04 -1.038 . . . . 0.0 110.336 -179.182 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp -62.57 -30.54 71.39 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.479 -0.763 . . . . 0.0 112.894 -178.677 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 49.3 m-85 -137.75 -6.54 1.69 Allowed 'General case' 0 N--CA 1.505 2.288 0 O-C-N 120.734 -1.228 . . . . 0.0 112.333 -176.905 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.552 ' N ' ' O ' ' B' ' 12' ' ' HIS . 82.1 m-70 52.89 42.74 32.09 Favored 'General case' 0 N--CA 1.495 1.788 0 N-CA-C 107.374 -1.343 . . . . 0.0 107.374 -177.953 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 93.6 p -65.97 157.32 31.1 Favored 'General case' 0 C--N 1.301 -1.516 0 CA-C-O 121.599 0.714 . . . . 0.0 110.485 -178.099 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -73.94 156.72 37.32 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.48 -0.763 . . . . 0.0 109.446 179.674 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 46.7 p-90 -54.87 -30.07 56.99 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.36 -0.838 . . . . 0.0 109.704 -179.724 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 82.9 mtm180 -61.9 -40.79 96.65 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.92 -1.112 . . . . 0.0 109.983 -179.865 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.93 -49.01 56.23 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.28 -0.888 . . . . 0.0 109.323 179.808 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 78.2 mtm -60.5 -40.19 90.48 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.24 -0.912 . . . . 0.0 109.573 179.886 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.464 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -58.32 -48.89 79.09 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.261 -0.899 . . . . 0.0 109.101 -179.972 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 45.3 t -70.25 -35.1 73.57 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.351 -0.843 . . . . 0.0 109.879 179.667 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 57.9 t0 -60.25 -40.6 90.84 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.278 -0.889 . . . . 0.0 110.51 -179.305 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -112.09 2.32 16.72 Favored 'General case' 0 N--CA 1.502 2.142 0 O-C-N 121.39 -0.819 . . . . 0.0 110.271 -179.878 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.464 ' N ' ' O ' ' B' ' 23' ' ' ALA . 14.6 m120 56.84 47.18 18.44 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.344 -0.847 . . . . 0.0 110.266 179.505 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 66.0 mt -112.84 152.33 44.74 Favored Pre-proline 0 N--CA 1.5 2.044 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 179.886 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -61.61 148.45 92.99 Favored 'Trans proline' 0 N--CA 1.49 1.31 0 C-N-CA 121.434 1.423 . . . . 0.0 111.538 179.974 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo -42.18 -36.7 4.24 Favored 'Trans proline' 0 C--N 1.315 -1.216 0 C-N-CA 122.091 1.861 . . . . 0.0 111.601 179.851 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 40.5 t -53.17 -50.09 48.0 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.721 0 O-C-N 121.141 -0.974 . . . . 0.0 110.579 -178.656 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . 0.611 HG13 HD11 ' B' ' 5' ' ' ILE . 89.8 t -66.87 -47.11 83.54 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.662 0 C-N-CA 118.649 -1.22 . . . . 0.0 109.57 -179.228 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.19 -42.59 83.94 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.568 -0.707 . . . . 0.0 110.261 179.967 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 3.2 mmmm -60.43 -37.43 80.86 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.07 -1.019 . . . . 0.0 109.874 -179.818 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 -62.46 -40.11 95.58 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.202 -0.936 . . . . 0.0 110.53 -178.596 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 61.6 mt -59.94 -40.17 82.19 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 O-C-N 120.647 -1.283 . . . . 0.0 108.102 179.821 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 60.2 t -64.13 -40.38 88.86 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 O-C-N 121.138 -0.976 . . . . 0.0 108.841 179.469 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . 0.548 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -61.22 -33.88 74.21 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.521 -0.737 . . . . 0.0 109.346 179.873 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 57.9 m -77.33 -26.83 52.49 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.212 -0.93 . . . . 0.0 110.043 -178.714 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 31.2 t -81.39 105.0 12.22 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.155 -0.965 . . . . 0.0 108.975 179.623 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -60.31 -30.07 69.25 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.577 -0.702 . . . . 0.0 110.73 -178.687 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -70.44 -41.26 73.09 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 120.917 -1.114 . . . . 0.0 110.203 -179.203 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 86.0 m -87.02 -27.49 23.18 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.187 -0.946 . . . . 0.0 109.63 179.465 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . 0.548 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 51.2 tt0 . . . . . 0 N--CA 1.492 1.667 0 O-C-N 121.095 -1.003 . . . . 0.0 109.211 -179.588 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . 0.441 ' CE2' ' CE2' ' B' ' 1' ' ' PHE . 43.1 m-85 . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 121.359 0.6 . . . . 0.0 109.481 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 73.0 mt -68.96 -38.0 79.14 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.272 -0.892 . . . . 0.0 111.247 -178.743 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 62.6 t0 -60.99 -50.31 73.91 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 120.593 -1.317 . . . . 0.0 111.468 -178.54 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.36 -43.65 92.23 Favored Glycine 0 N--CA 1.49 2.259 0 N-CA-C 109.314 -1.514 . . . . 0.0 109.314 -179.438 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.416 HD12 ' O ' ' A' ' 1' ' ' PHE . 88.1 mt -60.04 -38.58 77.35 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.499 0 O-C-N 121.616 -0.932 . . . . 0.0 110.892 -179.798 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -56.72 -47.24 80.42 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 120.505 -1.372 . . . . 0.0 108.8 -179.51 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.9 mtpp -69.15 -40.48 78.17 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.043 -1.035 . . . . 0.0 109.08 179.119 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.99 -38.05 85.33 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 119.764 -0.774 . . . . 0.0 109.565 179.843 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -55.48 -40.42 71.67 Favored 'General case' 0 C--N 1.297 -1.677 0 C-N-CA 119.676 -0.809 . . . . 0.0 109.115 -179.547 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -63.51 -43.58 96.78 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.912 -1.118 . . . . 0.0 109.557 179.079 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.0 tm-20 -60.08 -44.93 94.42 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.126 -0.983 . . . . 0.0 109.245 -179.888 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.517 ' O ' ' N ' ' A' ' 16' ' ' HIS . 15.8 t60 -61.19 -45.23 95.45 Favored 'General case' 0 C--N 1.3 -1.563 0 C-N-CA 119.191 -1.004 . . . . 0.0 109.726 179.958 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 15.0 tm-20 -61.12 -40.25 93.06 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 120.937 -1.102 . . . . 0.0 110.317 -178.94 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -65.0 -38.97 92.73 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.264 -0.897 . . . . 0.0 112.609 -178.954 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -129.98 -3.63 4.56 Favored 'General case' 0 N--CA 1.511 2.595 0 O-C-N 120.987 -1.071 . . . . 0.0 112.45 -176.488 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.517 ' N ' ' O ' ' A' ' 12' ' ' HIS . 93.1 m-70 53.85 40.36 31.45 Favored 'General case' 0 N--CA 1.497 1.916 0 N-CA-C 107.586 -1.264 . . . . 0.0 107.586 -178.114 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.5 p -59.72 154.76 17.3 Favored 'General case' 0 N--CA 1.489 1.476 0 CA-C-O 121.263 0.554 . . . . 0.0 110.475 -178.782 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -72.65 149.61 43.72 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.211 -0.931 . . . . 0.0 108.984 179.661 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 47.5 p-90 -51.22 -30.24 16.69 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 120.831 -1.168 . . . . 0.0 110.234 -179.273 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 63.1 mtp180 -63.3 -43.62 97.33 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.906 -1.121 . . . . 0.0 110.437 179.591 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.45 -46.43 66.72 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.685 -1.259 . . . . 0.0 108.446 179.901 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 22.0 mtp -60.59 -45.43 94.0 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.634 -0.667 . . . . 0.0 109.587 179.896 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.53 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -58.69 -43.04 89.87 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.301 -0.874 . . . . 0.0 109.08 179.547 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 31.2 m -70.2 -38.42 75.32 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.444 -0.785 . . . . 0.0 109.579 179.71 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 61.4 t0 -59.58 -42.21 91.99 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.202 -0.936 . . . . 0.0 110.215 -179.227 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -106.64 -2.41 21.76 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.463 -0.773 . . . . 0.0 109.561 179.894 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.53 ' N ' ' O ' ' A' ' 23' ' ' ALA . 11.8 t-20 56.52 50.04 13.68 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.499 -0.75 . . . . 0.0 109.584 179.186 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 68.2 mt -115.54 146.21 36.16 Favored Pre-proline 0 N--CA 1.5 2.033 0 O-C-N 121.609 -0.682 . . . . 0.0 109.385 179.789 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_exo -45.54 144.66 4.81 Favored 'Trans proline' 0 N--CA 1.489 1.217 0 C-N-CA 121.781 1.654 . . . . 0.0 111.585 178.927 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -44.57 -37.16 10.84 Favored 'Trans proline' 0 C--N 1.312 -1.376 0 C-N-CA 121.694 1.596 . . . . 0.0 111.729 178.986 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 48.4 t -53.73 -50.18 52.94 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.801 0 C-N-CA 120.148 -0.621 . . . . 0.0 110.086 -178.262 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 51.5 t -63.36 -50.36 79.07 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.806 0 C-N-CA 118.615 -1.234 . . . . 0.0 109.803 -178.616 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.92 -43.02 89.35 Favored 'General case' 0 N--CA 1.489 1.511 0 C-N-CA 119.079 -1.049 . . . . 0.0 109.597 179.562 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 23.8 mtpp -62.13 -37.91 86.97 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.863 -1.148 . . . . 0.0 110.415 -179.811 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.4 tm-20 -61.52 -39.87 92.57 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.016 -1.053 . . . . 0.0 110.731 -178.934 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 82.0 mt -59.71 -39.64 80.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 120.708 -1.245 . . . . 0.0 107.929 179.568 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 92.2 t -60.64 -39.95 83.15 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.231 -0.918 . . . . 0.0 108.728 178.687 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.404 ' O ' ' OE1' ' A' ' 44' ' ' GLN . . . -60.66 -31.57 70.79 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.171 -0.956 . . . . 0.0 108.661 178.714 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 63.2 m -75.55 -30.4 59.7 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.33 -0.856 . . . . 0.0 109.187 179.775 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 44.9 t -81.05 98.77 8.13 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.369 -0.832 . . . . 0.0 109.601 179.772 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -59.94 -28.87 67.99 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.547 -0.72 . . . . 0.0 110.589 -179.355 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 59.4 mttp -68.42 -38.13 80.93 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 120.843 -1.16 . . . . 0.0 110.058 -178.517 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 55.1 m -86.48 -34.79 19.95 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.386 -0.821 . . . . 0.0 110.89 -179.836 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.551 ' NE2' ' OE1' ' B' ' 44' ' ' GLN . 53.0 tt0 . . . . . 0 N--CA 1.499 2.011 0 O-C-N 121.359 -0.838 . . . . 0.0 111.666 -177.831 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . 0.441 ' CE2' ' CE2' ' A' ' 1' ' ' PHE . 34.7 m-85 . . . . . 0 N--CA 1.494 1.731 0 CA-C-O 121.384 0.612 . . . . 0.0 109.566 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 69.3 mt -70.64 -37.4 73.75 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.194 -0.941 . . . . 0.0 111.339 -178.672 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -60.37 -51.71 68.35 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 120.904 -1.123 . . . . 0.0 111.019 -178.218 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.46 -42.4 93.77 Favored Glycine 0 N--CA 1.49 2.25 0 C-N-CA 119.307 -1.425 . . . . 0.0 109.675 -179.402 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . 0.407 ' O ' ' N ' ' B' ' 9' ' ' GLN . 83.8 mt -60.29 -39.43 80.8 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.523 0 O-C-N 121.57 -0.959 . . . . 0.0 110.356 -179.74 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 62.0 t0 -55.67 -46.99 77.48 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 120.737 -1.227 . . . . 0.0 109.306 -179.314 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -69.59 -40.22 76.82 Favored 'General case' 0 N--CA 1.492 1.628 0 C-N-CA 119.155 -1.018 . . . . 0.0 109.093 178.908 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.11 -38.09 85.03 Favored 'General case' 0 C--N 1.304 -1.401 0 C-N-CA 120.062 -0.655 . . . . 0.0 109.437 -179.939 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . 0.407 ' N ' ' O ' ' B' ' 5' ' ' ILE . 61.2 tt0 -56.0 -40.72 73.77 Favored 'General case' 0 C--N 1.306 -1.303 0 C-N-CA 119.707 -0.797 . . . . 0.0 108.992 -179.465 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -62.76 -43.62 98.33 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.208 -0.933 . . . . 0.0 109.664 178.931 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 13.6 tm-20 -61.08 -44.67 97.01 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.345 -0.847 . . . . 0.0 109.178 -179.643 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 12' ' ' HIS . . . . . 0.562 ' O ' ' N ' ' B' ' 16' ' ' HIS . 14.6 t60 -60.92 -45.18 95.68 Favored 'General case' 0 C--N 1.298 -1.648 0 C-N-CA 119.323 -0.951 . . . . 0.0 109.231 179.807 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 13.9 tm-20 -60.86 -41.53 96.1 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.19 -0.944 . . . . 0.0 110.081 -178.914 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 26.3 mtpp -64.04 -37.65 88.2 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.167 -0.958 . . . . 0.0 112.505 -178.739 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 46.5 m-85 -131.29 -4.6 3.83 Favored 'General case' 0 N--CA 1.508 2.464 0 O-C-N 120.719 -1.238 . . . . 0.0 112.486 -176.233 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.562 ' N ' ' O ' ' B' ' 12' ' ' HIS . 92.9 m-70 54.77 41.5 31.87 Favored 'General case' 0 N--CA 1.493 1.705 0 N-CA-C 107.468 -1.308 . . . . 0.0 107.468 -177.969 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 8.4 p -60.94 155.12 20.63 Favored 'General case' 0 N--CA 1.488 1.45 0 CA-C-O 121.191 0.52 . . . . 0.0 110.441 -179.036 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -73.31 149.95 42.28 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.299 -0.876 . . . . 0.0 108.849 179.432 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 44.5 p-90 -51.21 -30.14 16.32 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.077 -1.014 . . . . 0.0 110.493 -178.963 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 62.4 mtp180 -63.25 -43.35 98.27 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.692 -1.255 . . . . 0.0 110.516 179.849 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.17 -47.42 64.98 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 120.942 -1.099 . . . . 0.0 108.372 -179.907 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 26.1 mtp -59.5 -44.73 93.03 Favored 'General case' 0 C--N 1.293 -1.865 0 CA-C-O 121.502 0.668 . . . . 0.0 110.146 179.2 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.532 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -59.71 -42.55 93.3 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.088 -1.007 . . . . 0.0 109.16 179.529 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 47.2 m -70.46 -38.48 74.46 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.293 -0.879 . . . . 0.0 109.913 179.514 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -59.7 -42.27 92.64 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.393 -0.817 . . . . 0.0 110.015 -179.21 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -106.06 -3.05 22.02 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 121.393 -0.817 . . . . 0.0 109.653 179.793 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.532 ' N ' ' O ' ' B' ' 23' ' ' ALA . 15.4 t-20 57.41 49.84 12.33 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.584 -0.698 . . . . 0.0 110.048 179.594 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 65.3 mt -115.15 148.11 39.93 Favored Pre-proline 0 N--CA 1.503 2.195 0 O-C-N 121.314 -0.866 . . . . 0.0 109.812 -179.986 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -47.14 145.4 7.69 Favored 'Trans proline' 0 N--CA 1.488 1.189 0 C-N-CA 121.648 1.566 . . . . 0.0 111.676 178.475 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -44.96 -37.51 12.41 Favored 'Trans proline' 0 N--CA 1.488 1.179 0 C-N-CA 121.906 1.737 . . . . 0.0 111.541 179.237 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 47.2 t -53.63 -49.88 53.68 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.814 0 O-C-N 121.684 -0.635 . . . . 0.0 110.664 -178.628 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 61.2 t -63.44 -50.0 80.39 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.749 0 C-N-CA 118.441 -1.303 . . . . 0.0 109.747 -178.758 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.41 -43.09 86.71 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 120.94 -1.1 . . . . 0.0 109.876 179.661 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 23.8 mtpp -62.19 -37.82 86.77 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.972 -1.08 . . . . 0.0 110.253 179.871 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.1 tm-20 -61.65 -39.72 92.35 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.873 -1.142 . . . . 0.0 110.637 -179.025 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 78.2 mt -60.05 -38.9 78.69 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 120.854 -1.154 . . . . 0.0 108.034 179.55 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 85.4 t -61.6 -40.18 85.71 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.478 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 179.089 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . 0.547 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -60.5 -30.55 69.79 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.241 -0.912 . . . . 0.0 108.857 178.717 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 49.8 m -76.52 -29.63 56.83 Favored 'General case' 0 C--N 1.302 -1.486 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 179.933 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 44.4 t -81.6 98.54 8.39 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.467 -0.771 . . . . 0.0 109.223 179.764 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -59.58 -29.45 67.96 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.366 -0.834 . . . . 0.0 110.185 -179.644 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 58.6 mttp -68.2 -38.01 81.52 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.25 -0.907 . . . . 0.0 110.302 -178.457 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 54.9 m -86.75 -33.72 19.87 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 120.991 -1.068 . . . . 0.0 110.847 -179.496 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . 0.551 ' OE1' ' NE2' ' A' ' 44' ' ' GLN . 6.5 tt0 . . . . . 0 N--CA 1.5 2.071 0 O-C-N 121.165 -0.96 . . . . 0.0 111.595 -177.985 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . 0.55 ' O ' HD12 ' A' ' 5' ' ' ILE . 95.6 m-85 . . . . . 0 N--CA 1.488 1.435 0 CA-C-O 121.624 0.726 . . . . 0.0 109.523 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 25.2 mt -72.53 -35.58 68.09 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.548 -0.72 . . . . 0.0 111.669 -178.414 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 61.3 t0 -66.34 -50.7 62.68 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 120.723 -1.235 . . . . 0.0 111.558 -178.478 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.19 -45.59 79.62 Favored Glycine 0 N--CA 1.489 2.188 0 N-CA-C 109.536 -1.426 . . . . 0.0 109.536 -179.035 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.55 HD12 ' O ' ' A' ' 1' ' ' PHE . 89.7 mt -59.54 -39.96 80.72 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.575 0 O-C-N 121.692 -0.887 . . . . 0.0 110.267 179.903 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -54.65 -46.33 73.97 Favored 'General case' 0 C--N 1.297 -1.678 0 C-N-CA 119.173 -1.011 . . . . 0.0 109.235 -179.496 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -69.93 -41.78 74.16 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.782 -1.199 . . . . 0.0 109.187 178.791 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.36 -35.77 80.03 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.391 -0.818 . . . . 0.0 109.593 179.912 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.409 ' N ' ' O ' ' A' ' 5' ' ' ILE . 59.8 tt0 -59.06 -41.29 87.56 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.281 -0.887 . . . . 0.0 109.655 -179.361 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -60.89 -40.41 92.92 Favored 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 118.743 -1.183 . . . . 0.0 108.748 179.433 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.9 tm-20 -61.19 -40.67 94.79 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.136 -0.978 . . . . 0.0 109.03 179.047 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.518 ' O ' ' N ' ' A' ' 16' ' ' HIS . 16.4 t60 -60.88 -48.17 83.03 Favored 'General case' 0 C--N 1.305 -1.334 0 C-N-CA 119.362 -0.935 . . . . 0.0 109.182 179.277 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -60.25 -40.09 89.07 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.121 -0.987 . . . . 0.0 110.04 -179.55 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt -64.05 -35.08 79.54 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.122 -0.986 . . . . 0.0 112.603 -179.48 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 51.7 m-85 -136.01 -3.75 2.23 Favored 'General case' 0 N--CA 1.511 2.59 0 O-C-N 120.535 -1.353 . . . . 0.0 113.026 -176.908 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.518 ' N ' ' O ' ' A' ' 12' ' ' HIS . 87.8 m-70 53.7 42.68 31.77 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.571 -1.33 . . . . 0.0 107.455 -178.284 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 88.3 p -67.72 156.43 36.98 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.501 -0.75 . . . . 0.0 110.618 -178.393 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -72.74 160.28 32.46 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.517 -0.739 . . . . 0.0 109.03 179.608 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 41.0 p-90 -58.64 -30.75 67.54 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.293 -0.879 . . . . 0.0 110.658 -178.906 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -62.52 -39.97 95.26 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 120.762 -1.211 . . . . 0.0 109.987 179.984 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.85 -49.06 61.53 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 121.251 -0.906 . . . . 0.0 109.594 -179.566 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 77.9 mtm -60.59 -40.06 90.37 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.991 -1.068 . . . . 0.0 109.434 179.717 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.515 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -56.64 -45.65 81.47 Favored 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 119.507 -0.877 . . . . 0.0 109.351 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 15.2 t -69.42 -37.57 77.5 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.288 -0.883 . . . . 0.0 110.345 179.908 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -60.57 -39.63 88.71 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.305 -0.872 . . . . 0.0 110.719 -179.056 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -112.23 -0.49 15.48 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.376 -0.828 . . . . 0.0 109.665 -179.628 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.515 ' N ' ' O ' ' A' ' 23' ' ' ALA . 91.8 m-20 54.84 49.15 18.49 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.64 -0.663 . . . . 0.0 109.614 179.655 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 85.9 mt -112.37 153.42 44.83 Favored Pre-proline 0 N--CA 1.496 1.829 0 N-CA-C 108.45 -0.945 . . . . 0.0 108.45 -179.937 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -60.55 150.62 80.59 Favored 'Trans proline' 0 N--CA 1.492 1.399 0 C-N-CA 121.427 1.418 . . . . 0.0 111.27 179.923 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.463 ' O ' ' CG ' ' A' ' 34' ' ' LYS . 23.7 Cg_exo -44.69 -33.69 7.28 Favored 'Trans proline' 0 C--N 1.311 -1.446 0 C-N-CA 121.939 1.759 . . . . 0.0 111.604 179.36 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.457 HG11 HD11 ' B' ' 5' ' ' ILE . 84.9 t -55.43 -49.05 76.02 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.655 0 O-C-N 121.294 -0.879 . . . . 0.0 110.532 -177.836 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.436 HG13 HD11 ' A' ' 5' ' ' ILE . 59.7 t -67.95 -47.5 78.78 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.749 0 C-N-CA 118.115 -1.434 . . . . 0.0 109.309 -179.067 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.99 -41.07 87.38 Favored 'General case' 0 C--N 1.301 -1.526 0 C-N-CA 119.654 -0.818 . . . . 0.0 110.278 -179.797 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.463 ' CG ' ' O ' ' A' ' 30' ' ' PRO . 13.6 mmmt -62.51 -39.51 93.77 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.067 -1.021 . . . . 0.0 109.593 179.899 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.7 tm-20 -60.54 -39.68 88.8 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.357 -0.839 . . . . 0.0 110.559 -178.919 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 47.9 mt -59.59 -39.82 80.44 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 120.728 -1.232 . . . . 0.0 108.674 -179.583 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 78.3 t -60.72 -39.72 82.59 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.179 -0.951 . . . . 0.0 108.622 179.27 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.2 -30.76 70.62 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.523 -0.735 . . . . 0.0 109.608 179.528 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.7 m -74.53 -33.43 62.77 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.413 -0.804 . . . . 0.0 109.066 -179.618 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 41.8 t -81.13 103.14 10.73 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.281 -0.887 . . . . 0.0 109.314 179.807 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -61.91 -29.93 70.55 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.245 -0.91 . . . . 0.0 109.94 -179.841 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 50.0 mtpt -68.78 -40.32 79.73 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.176 -0.953 . . . . 0.0 110.262 -178.647 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 80.1 m -84.89 -26.5 27.27 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.639 -1.288 . . . . 0.0 109.714 179.125 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.62 HE21 ' CG ' ' B' ' 44' ' ' GLN . 57.6 tt0 . . . . . 0 C--N 1.3 -1.556 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 179.395 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . 0.576 ' O ' HD12 ' B' ' 5' ' ' ILE . 96.8 m-85 . . . . . 0 N--CA 1.491 1.591 0 CA-C-O 121.665 0.745 . . . . 0.0 109.788 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 25.4 mt -74.09 -36.48 64.28 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.495 -0.753 . . . . 0.0 111.776 -178.116 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 54.6 t0 -66.12 -50.34 64.37 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 120.794 -1.192 . . . . 0.0 111.952 -178.129 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.13 -44.64 65.58 Favored Glycine 0 N--CA 1.486 2.019 0 N-CA-C 109.347 -1.501 . . . . 0.0 109.347 -178.821 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . 0.576 HD12 ' O ' ' B' ' 1' ' ' PHE . 91.7 mt -59.76 -38.7 77.2 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.691 0 O-C-N 121.563 -0.963 . . . . 0.0 110.045 179.758 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -55.78 -45.81 78.07 Favored 'General case' 0 C--N 1.301 -1.502 0 C-N-CA 118.901 -1.12 . . . . 0.0 109.029 -179.384 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -69.68 -42.7 73.78 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 120.869 -1.144 . . . . 0.0 109.323 178.951 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.87 -35.88 81.04 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.273 -0.892 . . . . 0.0 109.663 179.935 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -58.91 -40.62 85.06 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.309 -0.869 . . . . 0.0 109.656 -179.062 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -61.29 -39.83 91.88 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 120.884 -1.135 . . . . 0.0 108.575 178.952 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 14.9 tm-20 -62.05 -42.49 99.23 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.285 -0.885 . . . . 0.0 109.071 179.193 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 12' ' ' HIS . . . . . 0.524 ' O ' ' N ' ' B' ' 16' ' ' HIS . 14.7 t60 -60.01 -46.53 89.18 Favored 'General case' 0 C--N 1.303 -1.452 0 C-N-CA 119.193 -1.003 . . . . 0.0 108.989 179.762 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -60.55 -39.79 89.23 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.43 -0.794 . . . . 0.0 110.307 -179.911 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -66.03 -30.64 71.21 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.191 -0.943 . . . . 0.0 112.578 -178.902 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -139.4 -4.99 1.43 Allowed 'General case' 0 N--CA 1.508 2.441 0 O-C-N 120.469 -1.395 . . . . 0.0 112.82 -176.87 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.524 ' N ' ' O ' ' B' ' 12' ' ' HIS . 89.8 m-70 54.45 43.2 30.73 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.567 -1.333 . . . . 0.0 107.755 -177.914 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 77.6 p -68.17 155.08 40.38 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.609 -0.682 . . . . 0.0 110.645 -178.865 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 20.0 m120 -71.31 158.65 35.98 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.603 -0.685 . . . . 0.0 109.494 179.659 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 38.5 p-90 -56.96 -30.45 64.09 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.264 -0.897 . . . . 0.0 110.445 -179.256 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -63.68 -39.91 95.49 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.958 -1.089 . . . . 0.0 110.214 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.37 -47.79 63.21 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.227 -0.921 . . . . 0.0 109.639 -179.277 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 77.3 mtm -61.77 -39.94 93.4 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.136 -0.977 . . . . 0.0 109.372 179.391 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.511 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -56.89 -44.84 82.71 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.432 -0.793 . . . . 0.0 109.11 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 12.6 t -69.97 -38.55 76.12 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.317 -0.864 . . . . 0.0 109.707 179.773 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -59.76 -37.36 78.79 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.394 -0.816 . . . . 0.0 111.029 -179.135 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -114.05 -1.94 13.62 Favored 'General case' 0 N--CA 1.5 2.06 0 O-C-N 121.171 -0.956 . . . . 0.0 109.771 -179.464 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.511 ' N ' ' O ' ' B' ' 23' ' ' ALA . 89.5 m-20 55.48 48.13 19.54 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.619 -0.675 . . . . 0.0 109.347 179.886 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 82.8 mt -112.17 152.46 44.42 Favored Pre-proline 0 N--CA 1.499 1.975 0 N-CA-C 108.215 -1.031 . . . . 0.0 108.215 179.732 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -59.99 151.53 71.34 Favored 'Trans proline' 0 N--CA 1.494 1.528 0 C-N-CA 121.604 1.536 . . . . 0.0 111.788 179.677 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 30' ' ' PRO . . . . . 0.482 ' O ' ' CG ' ' B' ' 34' ' ' LYS . 24.2 Cg_exo -45.31 -33.38 8.67 Favored 'Trans proline' 0 C--N 1.31 -1.491 0 C-N-CA 122.052 1.834 . . . . 0.0 111.97 179.388 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.448 HG11 HD11 ' A' ' 5' ' ' ILE . 85.7 t -56.23 -49.49 76.06 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.614 0 C-N-CA 119.513 -0.875 . . . . 0.0 110.522 -177.802 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . 0.436 HG13 HD11 ' B' ' 5' ' ' ILE . 57.4 t -67.74 -48.1 77.23 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.664 0 C-N-CA 118.432 -1.307 . . . . 0.0 109.424 -178.813 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.52 -41.08 89.35 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.284 -0.885 . . . . 0.0 110.045 179.93 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.482 ' CG ' ' O ' ' B' ' 30' ' ' PRO . 13.5 mmmt -62.04 -39.84 93.73 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 120.988 -1.07 . . . . 0.0 109.786 179.848 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 12.8 tm-20 -60.48 -38.96 85.97 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.152 -0.967 . . . . 0.0 110.821 -178.927 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 49.2 mt -60.17 -39.87 81.85 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 O-C-N 120.963 -1.086 . . . . 0.0 108.158 -179.641 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 73.7 t -60.11 -39.9 81.81 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.479 0 O-C-N 121.132 -0.98 . . . . 0.0 108.615 179.177 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . 0.455 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -61.9 -30.01 70.59 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.639 -0.663 . . . . 0.0 109.469 179.452 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 34.5 m -75.28 -33.04 61.2 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.127 -0.983 . . . . 0.0 108.985 -179.473 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 41.4 t -80.95 101.84 9.74 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.425 -0.797 . . . . 0.0 109.572 179.743 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 83.1 m-20 -61.2 -29.26 69.7 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.566 -0.709 . . . . 0.0 109.625 -179.843 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 48.2 mtpt -69.71 -39.96 76.57 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.106 -0.996 . . . . 0.0 110.202 -178.697 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 65.6 m -84.65 -28.18 26.61 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 120.657 -1.277 . . . . 0.0 109.319 179.426 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . 0.62 ' CG ' HE21 ' A' ' 44' ' ' GLN . 6.9 tt0 . . . . . 0 C--N 1.303 -1.441 0 O-C-N 121.062 -1.024 . . . . 0.0 108.778 179.606 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . 0.469 ' CZ ' ' CZ ' ' B' ' 1' ' ' PHE . 45.1 m-85 . . . . . 0 N--CA 1.484 1.261 0 CA-C-O 121.357 0.599 . . . . 0.0 109.828 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 43.9 mt -69.92 -39.68 76.0 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.339 -0.851 . . . . 0.0 110.994 -178.504 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -63.63 -44.92 92.5 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 120.836 -1.165 . . . . 0.0 110.624 -178.721 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.06 -46.68 50.09 Favored Glycine 0 N--CA 1.492 2.406 0 N-CA-C 109.912 -1.275 . . . . 0.0 109.912 -179.937 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.454 HD11 HG11 ' B' ' 31' ' ' VAL . 82.2 mt -59.98 -39.69 80.93 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 121.645 -0.915 . . . . 0.0 110.197 -179.914 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 61.3 t0 -55.11 -46.55 75.57 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.947 -1.096 . . . . 0.0 109.255 -179.39 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -69.96 -42.92 72.52 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.733 -1.229 . . . . 0.0 109.032 178.474 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.21 -36.4 84.06 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.192 -0.942 . . . . 0.0 109.547 -179.897 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.432 ' N ' ' O ' ' A' ' 5' ' ' ILE . 55.4 tt0 -56.32 -42.37 77.53 Favored 'General case' 0 C--N 1.303 -1.426 0 C-N-CA 119.689 -0.804 . . . . 0.0 109.459 -179.648 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 79.9 tt0 -60.8 -40.76 93.9 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.996 -1.065 . . . . 0.0 108.74 178.914 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 15.6 tm-20 -60.48 -41.46 94.26 Favored 'General case' 0 N--CA 1.487 1.398 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 179.435 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.579 ' O ' ' N ' ' A' ' 16' ' ' HIS . 12.9 t60 -61.8 -47.93 82.91 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.186 -0.946 . . . . 0.0 109.815 179.624 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 52.0 tp10 -60.25 -42.48 95.42 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.113 -0.992 . . . . 0.0 110.564 -179.176 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -61.24 -37.45 83.11 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.312 -0.867 . . . . 0.0 112.267 -178.436 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -134.89 -0.89 2.76 Favored 'General case' 0 N--CA 1.505 2.296 0 O-C-N 120.909 -1.12 . . . . 0.0 112.592 -176.722 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.579 ' N ' ' O ' ' A' ' 12' ' ' HIS . 91.0 m-70 52.33 41.26 30.46 Favored 'General case' 0 N--CA 1.501 2.105 0 O-C-N 120.431 -1.418 . . . . 0.0 107.361 -177.99 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 64.5 p -60.32 156.39 15.79 Favored 'General case' 0 C--N 1.303 -1.434 0 CA-C-O 121.523 0.678 . . . . 0.0 110.502 -178.154 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 65.8 m-20 -73.23 158.87 34.37 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.575 -0.703 . . . . 0.0 109.273 -179.721 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.516 ' NE1' ' NH1' ' A' ' 20' ' ' ARG . 18.9 p-90 -56.74 -28.68 61.53 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.342 -0.849 . . . . 0.0 109.432 179.747 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.516 ' NH1' ' NE1' ' A' ' 19' ' ' TRP . 7.3 mtt-85 -63.09 -41.1 99.32 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.207 -0.933 . . . . 0.0 109.39 -179.644 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.0 -48.49 62.95 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.416 -0.802 . . . . 0.0 110.172 -179.238 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 79.0 mtm -61.12 -40.26 93.11 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.129 -0.982 . . . . 0.0 109.81 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.495 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -59.74 -48.53 81.32 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.217 -0.927 . . . . 0.0 109.492 -179.813 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 49.1 m -69.43 -36.6 76.82 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.447 -0.783 . . . . 0.0 110.228 179.843 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -60.22 -38.92 84.84 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.009 -1.057 . . . . 0.0 110.857 -178.592 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -114.19 -0.72 13.85 Favored 'General case' 0 N--CA 1.504 2.226 0 O-C-N 121.186 -0.946 . . . . 0.0 109.702 -179.902 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.495 ' N ' ' O ' ' A' ' 23' ' ' ALA . 51.8 t30 57.63 49.26 12.8 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.516 -0.74 . . . . 0.0 110.32 179.097 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 29.9 mt -114.24 149.1 41.5 Favored Pre-proline 0 N--CA 1.501 2.12 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 179.415 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_exo -49.31 147.16 12.35 Favored 'Trans proline' 0 N--CA 1.492 1.433 0 C-N-CA 121.409 1.406 . . . . 0.0 111.511 179.376 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -44.57 -38.69 12.42 Favored 'Trans proline' 0 C--N 1.315 -1.21 0 C-N-CA 121.765 1.644 . . . . 0.0 111.42 179.459 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.421 HG11 HD11 ' B' ' 5' ' ' ILE . 66.6 t -51.0 -47.48 30.43 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.726 0 O-C-N 121.786 -0.571 . . . . 0.0 110.223 -178.561 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 40.3 t -65.89 -48.46 81.9 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.919 0 C-N-CA 118.256 -1.378 . . . . 0.0 109.727 -179.245 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.61 -45.67 82.23 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.444 -0.785 . . . . 0.0 109.787 179.916 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.436 ' NZ ' ' OE2' ' B' ' 35' ' ' GLU . 7.8 mtmp? -61.91 -36.48 81.47 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.016 -1.053 . . . . 0.0 110.146 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -60.15 -38.11 82.16 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.911 -1.118 . . . . 0.0 109.774 -178.998 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 70.1 mt -59.39 -39.97 80.41 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.465 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 179.309 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 60.4 t -62.44 -37.89 79.93 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 179.124 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.438 ' O ' ' OE1' ' A' ' 44' ' ' GLN . . . -60.43 -34.06 73.43 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.158 -0.964 . . . . 0.0 109.283 179.214 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 51.0 m -77.17 -24.24 51.48 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.981 -1.075 . . . . 0.0 109.922 -179.744 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 42.2 t -83.03 106.76 15.11 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.103 -0.998 . . . . 0.0 109.561 -179.951 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -61.76 -32.19 72.43 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.217 -0.927 . . . . 0.0 110.431 -179.943 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 25.3 mtpp -69.88 -44.1 70.45 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.081 -1.012 . . . . 0.0 111.14 -178.478 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 89.4 m -82.5 -31.87 29.06 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.8 -1.188 . . . . 0.0 109.959 179.898 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.438 ' OE1' ' O ' ' A' ' 38' ' ' ALA . 42.6 tt0 . . . . . 0 N--CA 1.495 1.816 0 O-C-N 121.116 -0.99 . . . . 0.0 110.994 -178.754 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . 0.469 ' CZ ' ' CZ ' ' A' ' 1' ' ' PHE . 42.3 m-85 . . . . . 0 N--CA 1.49 1.535 0 CA-C-O 121.447 0.642 . . . . 0.0 109.599 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 43.8 mt -70.23 -39.94 74.78 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.352 -0.842 . . . . 0.0 111.192 -178.821 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -64.46 -44.68 90.31 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.785 -1.197 . . . . 0.0 110.518 -178.701 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.64 -47.22 50.56 Favored Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.672 -1.371 . . . . 0.0 109.672 -179.719 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . 0.437 HD12 ' O ' ' B' ' 1' ' ' PHE . 80.5 mt -59.59 -38.69 76.76 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.619 -0.93 . . . . 0.0 110.112 -179.954 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 59.0 t0 -56.35 -45.96 80.19 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 120.968 -1.082 . . . . 0.0 109.448 -179.24 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -70.25 -42.7 71.85 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.133 -0.979 . . . . 0.0 108.953 178.243 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.43 -37.72 87.74 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.239 -0.913 . . . . 0.0 109.498 179.824 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 -55.68 -41.84 74.29 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.326 -0.859 . . . . 0.0 109.291 -179.279 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 80.1 tt0 -61.26 -40.07 92.7 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.024 -1.047 . . . . 0.0 108.579 178.929 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 -61.19 -42.43 98.56 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.3 -0.875 . . . . 0.0 108.907 179.17 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 12' ' ' HIS . . . . . 0.59 ' O ' ' N ' ' B' ' 16' ' ' HIS . 12.4 t60 -60.77 -48.27 82.58 Favored 'General case' 0 C--N 1.305 -1.331 0 O-C-N 121.373 -0.829 . . . . 0.0 109.778 179.532 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 50.0 tp10 -60.09 -41.24 92.06 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.853 -1.154 . . . . 0.0 110.846 -179.165 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -61.82 -38.77 89.41 Favored 'General case' 0 C--N 1.299 -1.629 0 O-C-N 121.108 -0.995 . . . . 0.0 112.244 -178.412 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -133.21 -1.47 3.23 Favored 'General case' 0 N--CA 1.506 2.352 0 O-C-N 121.114 -0.991 . . . . 0.0 112.92 -176.506 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.59 ' N ' ' O ' ' B' ' 12' ' ' HIS . 90.7 m-70 52.85 42.34 31.95 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 120.305 -1.497 . . . . 0.0 107.347 -177.833 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 79.4 p -61.3 155.94 19.98 Favored 'General case' 0 C--N 1.3 -1.565 0 CA-C-O 121.529 0.68 . . . . 0.0 110.701 -178.249 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 67.7 m-20 -72.55 159.93 33.11 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.226 -0.921 . . . . 0.0 109.454 -179.936 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 19' ' ' TRP . . . . . 0.515 ' NE1' ' NH1' ' B' ' 20' ' ' ARG . 19.8 p-90 -57.68 -28.99 64.28 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.098 -1.001 . . . . 0.0 109.402 179.616 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . 0.519 ' HG2' HH11 ' B' ' 20' ' ' ARG . 7.8 mtt-85 -62.49 -41.34 98.74 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.18 -0.95 . . . . 0.0 109.282 -179.466 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.7 -48.79 62.97 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.462 -0.774 . . . . 0.0 110.087 -179.483 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 79.3 mtm -60.97 -39.96 91.55 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.027 -1.045 . . . . 0.0 109.658 -179.753 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.503 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -60.01 -48.76 80.36 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.089 -1.007 . . . . 0.0 109.61 -179.94 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 44.9 m -69.73 -34.84 74.41 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.324 -0.86 . . . . 0.0 110.275 179.692 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -61.12 -39.91 91.8 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.939 -1.101 . . . . 0.0 110.471 -178.539 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -113.31 -1.12 14.34 Favored 'General case' 0 N--CA 1.502 2.172 0 O-C-N 121.186 -0.946 . . . . 0.0 109.804 -179.959 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.503 ' N ' ' O ' ' B' ' 23' ' ' ALA . 49.2 t30 58.14 49.52 11.28 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.425 -0.797 . . . . 0.0 110.375 179.121 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 29.8 mt -114.08 149.76 42.47 Favored Pre-proline 0 N--CA 1.498 1.966 0 O-C-N 121.536 -0.728 . . . . 0.0 109.086 179.149 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_exo -49.36 145.54 15.55 Favored 'Trans proline' 0 N--CA 1.491 1.338 0 C-N-CA 121.281 1.32 . . . . 0.0 111.543 179.0 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -44.26 -37.41 10.14 Favored 'Trans proline' 0 C--N 1.313 -1.298 0 C-N-CA 121.783 1.655 . . . . 0.0 111.389 179.829 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.454 HG11 HD11 ' A' ' 5' ' ' ILE . 78.4 t -51.71 -47.68 38.55 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.83 0 O-C-N 121.554 -0.716 . . . . 0.0 110.065 -178.783 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 33.7 t -65.59 -48.84 81.21 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.762 0 C-N-CA 118.379 -1.328 . . . . 0.0 109.528 -179.457 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.81 -45.89 84.32 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.315 -0.866 . . . . 0.0 109.689 -179.879 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 7.8 mtmp? -62.54 -36.3 82.18 Favored 'General case' 0 N--CA 1.484 1.241 0 O-C-N 120.935 -1.103 . . . . 0.0 110.351 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . 0.436 ' OE2' ' NZ ' ' A' ' 34' ' ' LYS . 7.8 tm-20 -60.33 -37.79 81.7 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.013 -1.054 . . . . 0.0 109.522 -178.922 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 67.6 mt -59.76 -39.8 80.78 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.277 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 179.214 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 59.3 t -62.65 -38.02 80.51 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.385 0 O-C-N 121.139 -0.976 . . . . 0.0 108.474 179.514 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . 0.58 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -60.12 -35.35 75.06 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.308 -0.87 . . . . 0.0 109.15 179.318 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 48.8 m -75.55 -24.5 56.72 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.812 -1.18 . . . . 0.0 109.858 -179.741 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 40.5 t -82.86 106.48 14.73 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.024 -1.047 . . . . 0.0 109.837 -179.773 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 -61.41 -33.19 73.27 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.546 -0.721 . . . . 0.0 110.393 -179.974 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 25.1 mtpp -69.18 -44.92 71.21 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.973 -1.08 . . . . 0.0 110.985 -178.795 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 88.1 m -81.92 -32.17 31.01 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 120.64 -1.288 . . . . 0.0 110.038 -179.854 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . 0.58 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 5.8 tt0 . . . . . 0 N--CA 1.497 1.91 0 O-C-N 121.199 -0.938 . . . . 0.0 111.028 -178.626 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . 0.563 ' O ' HD12 ' A' ' 5' ' ' ILE . 72.4 m-85 . . . . . 0 N--CA 1.494 1.751 0 CA-C-O 121.313 0.578 . . . . 0.0 110.16 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 18.9 mt -70.38 -37.75 74.6 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.165 -0.959 . . . . 0.0 111.366 -178.377 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 83.1 m-20 -61.86 -51.63 67.41 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.065 -1.022 . . . . 0.0 111.511 -178.081 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.6 -45.73 82.32 Favored Glycine 0 N--CA 1.491 2.365 0 N-CA-C 109.367 -1.493 . . . . 0.0 109.367 -179.532 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.563 HD12 ' O ' ' A' ' 1' ' ' PHE . 87.9 mt -59.1 -38.34 73.53 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.621 0 O-C-N 121.317 -1.107 . . . . 0.0 110.386 -179.807 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 60.7 t0 -54.36 -46.8 73.07 Favored 'General case' 0 C--N 1.3 -1.585 0 C-N-CA 118.612 -1.235 . . . . 0.0 109.022 -179.131 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 58.3 mttm -70.0 -40.2 75.41 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.092 -1.005 . . . . 0.0 109.217 178.599 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.71 -38.86 87.6 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.607 -0.683 . . . . 0.0 109.574 179.628 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -57.38 -40.22 77.7 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.383 -0.823 . . . . 0.0 109.64 -179.083 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -62.25 -40.54 96.52 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 120.861 -1.149 . . . . 0.0 108.807 178.899 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 32.1 tp10 -59.96 -39.73 86.61 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.371 -0.83 . . . . 0.0 109.34 179.405 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.535 ' O ' ' N ' ' A' ' 16' ' ' HIS . 14.2 t60 -63.19 -46.7 85.86 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.172 -0.955 . . . . 0.0 109.834 179.854 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -61.14 -40.69 94.79 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.214 -0.929 . . . . 0.0 110.477 -179.198 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.4 mtpp -61.32 -36.6 80.59 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.628 -0.67 . . . . 0.0 112.435 -178.208 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -136.81 -1.33 2.24 Favored 'General case' 0 N--CA 1.509 2.525 0 O-C-N 121.015 -1.053 . . . . 0.0 112.452 -177.279 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.535 ' N ' ' O ' ' A' ' 12' ' ' HIS . 92.6 m-70 52.87 43.49 31.49 Favored 'General case' 0 N--CA 1.503 2.22 0 O-C-N 120.091 -1.63 . . . . 0.0 107.531 -177.462 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 76.6 p -63.66 160.22 17.37 Favored 'General case' 0 N--CA 1.495 1.811 0 CA-C-O 121.399 0.618 . . . . 0.0 110.905 -178.37 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -75.65 158.08 32.85 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.964 -1.085 . . . . 0.0 109.091 179.454 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 47.6 p-90 -57.54 -27.47 62.64 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.202 -0.936 . . . . 0.0 109.593 179.967 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.409 HH11 ' HG2' ' A' ' 20' ' ' ARG . 60.5 mtt-85 -63.11 -40.66 98.26 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.306 -0.871 . . . . 0.0 110.911 179.484 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.33 -50.39 53.65 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.315 -0.865 . . . . 0.0 109.337 -179.506 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 59.5 mtm -60.44 -39.87 89.08 Favored 'General case' 0 C--N 1.298 -1.633 0 C-N-CA 119.561 -0.856 . . . . 0.0 109.318 -179.958 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.458 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -57.71 -48.34 79.86 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 119.158 -1.017 . . . . 0.0 108.628 179.51 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 19.9 m -70.88 -35.34 72.31 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.215 -0.928 . . . . 0.0 109.897 179.676 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 56.8 t0 -58.86 -40.86 85.58 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.928 -1.108 . . . . 0.0 110.23 -178.859 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -112.41 0.94 15.77 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 121.218 -0.926 . . . . 0.0 110.511 -179.988 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.458 ' N ' ' O ' ' A' ' 23' ' ' ALA . 5.7 t-20 59.67 49.75 7.93 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.175 -0.953 . . . . 0.0 109.819 179.708 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 76.6 mt -117.0 152.43 48.71 Favored Pre-proline 0 N--CA 1.501 2.1 0 O-C-N 121.721 -0.612 . . . . 0.0 109.377 -179.666 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo -61.71 146.61 96.59 Favored 'Trans proline' 0 C--N 1.308 -1.598 0 C-N-CA 121.408 1.405 . . . . 0.0 111.84 -179.276 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.401 ' O ' ' CG ' ' A' ' 34' ' ' LYS . 34.1 Cg_exo -41.4 -36.46 2.79 Favored 'Trans proline' 0 C--N 1.316 -1.17 0 C-N-CA 122.258 1.972 . . . . 0.0 112.004 -179.803 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 87.5 t -53.57 -49.67 54.32 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.671 0 O-C-N 121.224 -0.922 . . . . 0.0 110.454 -178.525 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.445 HG13 HD11 ' A' ' 5' ' ' ILE . 60.0 t -66.14 -49.48 75.92 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.748 0 C-N-CA 118.841 -1.144 . . . . 0.0 109.31 -179.105 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.77 -41.09 92.46 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.138 -0.976 . . . . 0.0 110.257 179.738 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.401 ' CG ' ' O ' ' A' ' 30' ' ' PRO . 2.9 mmmm -62.65 -39.12 92.9 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 120.776 -1.202 . . . . 0.0 110.053 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.1 tm-20 -60.84 -38.61 86.08 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 120.999 -1.063 . . . . 0.0 110.091 -178.917 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 60.3 mt -58.98 -39.94 79.36 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.387 0 C-N-CA 119.079 -1.048 . . . . 0.0 108.903 -179.715 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 93.5 t -63.47 -40.06 87.64 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 120.809 -1.182 . . . . 0.0 108.933 179.107 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.06 -29.94 70.04 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.507 -0.746 . . . . 0.0 109.742 179.812 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 68.1 m -78.01 -26.22 48.39 Favored 'General case' 0 C--N 1.298 -1.668 0 O-C-N 121.097 -1.002 . . . . 0.0 109.718 -179.161 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 28.3 t -82.02 104.32 12.29 Favored 'General case' 0 N--CA 1.489 1.498 0 CA-C-O 121.754 0.788 . . . . 0.0 109.249 179.89 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -60.49 -30.31 69.62 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.87 -0.519 . . . . 0.0 110.543 -179.121 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 57.3 mttp -69.94 -40.33 75.55 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.278 -0.889 . . . . 0.0 110.768 -178.858 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 66.8 m -84.01 -24.67 30.44 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 120.66 -1.275 . . . . 0.0 109.643 179.916 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 . . . . . 0 N--CA 1.49 1.525 0 O-C-N 121.056 -1.027 . . . . 0.0 109.65 -179.496 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . 0.481 ' O ' HD12 ' B' ' 5' ' ' ILE . 68.6 m-85 . . . . . 0 N--CA 1.49 1.567 0 CA-C-O 121.484 0.659 . . . . 0.0 109.693 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 18.7 mt -69.88 -37.75 76.15 Favored 'General case' 0 C--N 1.299 -1.625 0 O-C-N 121.156 -0.965 . . . . 0.0 111.999 -178.192 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -61.88 -52.16 65.24 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 120.991 -1.068 . . . . 0.0 111.424 -177.785 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.18 -43.36 89.77 Favored Glycine 0 N--CA 1.495 2.579 0 N-CA-C 109.734 -1.347 . . . . 0.0 109.734 -179.334 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . 0.481 HD12 ' O ' ' B' ' 1' ' ' PHE . 92.3 mt -59.81 -38.53 76.53 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.427 -1.043 . . . . 0.0 109.211 179.512 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -53.45 -47.91 69.28 Favored 'General case' 0 C--N 1.303 -1.449 0 C-N-CA 118.665 -1.214 . . . . 0.0 108.96 -179.573 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 59.6 mttm -69.79 -41.32 75.23 Favored 'General case' 0 C--N 1.303 -1.437 0 C-N-CA 119.125 -1.03 . . . . 0.0 109.081 179.534 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.46 -37.52 85.31 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.417 -0.802 . . . . 0.0 109.549 179.662 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . 0.472 ' N ' ' O ' ' B' ' 5' ' ' ILE . 56.9 tt0 -57.61 -41.32 81.05 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.225 -0.922 . . . . 0.0 109.022 -178.567 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.38 -41.12 93.1 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 120.979 -1.076 . . . . 0.0 108.913 178.855 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 31.7 tp10 -60.1 -40.82 90.98 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.331 -0.856 . . . . 0.0 108.896 -179.699 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 12' ' ' HIS . . . . . 0.527 ' O ' ' N ' ' B' ' 16' ' ' HIS . 15.6 t60 -61.28 -47.32 86.54 Favored 'General case' 0 C--N 1.3 -1.552 0 C-N-CA 119.623 -0.831 . . . . 0.0 110.14 179.384 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -60.37 -41.75 94.39 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.329 -0.857 . . . . 0.0 110.18 -178.777 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 23.6 mtpp -60.79 -36.52 79.23 Favored 'General case' 0 N--CA 1.495 1.8 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 -178.337 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -136.96 -3.17 2.03 Favored 'General case' 0 N--CA 1.512 2.649 0 O-C-N 120.792 -1.193 . . . . 0.0 112.4 -177.446 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.527 ' N ' ' O ' ' B' ' 12' ' ' HIS . 91.6 m-70 55.88 42.02 29.35 Favored 'General case' 0 N--CA 1.502 2.174 0 N-CA-C 107.421 -1.325 . . . . 0.0 107.421 -178.201 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 81.7 p -63.26 158.67 19.59 Favored 'General case' 0 N--CA 1.491 1.576 0 CA-C-O 121.618 0.723 . . . . 0.0 110.935 -178.311 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 -74.08 157.41 36.11 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.066 -1.021 . . . . 0.0 109.115 179.624 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 50.5 p-90 -56.69 -27.04 58.12 Favored 'General case' 0 C--N 1.299 -1.604 0 C-N-CA 119.781 -0.768 . . . . 0.0 109.556 179.564 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . 0.407 HH11 ' HG2' ' B' ' 20' ' ' ARG . 58.2 mtt-85 -63.48 -40.05 96.06 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.29 -0.881 . . . . 0.0 110.983 179.509 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.15 -49.17 59.24 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.193 -0.942 . . . . 0.0 109.52 -179.004 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 61.0 mtm -61.04 -40.24 92.87 Favored 'General case' 0 C--N 1.3 -1.582 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 179.707 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.482 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -57.69 -49.59 76.02 Favored 'General case' 0 C--N 1.304 -1.391 0 C-N-CA 118.909 -1.116 . . . . 0.0 108.734 179.015 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 19.8 m -69.72 -34.15 73.47 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.689 -0.632 . . . . 0.0 109.971 179.326 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -60.68 -43.14 98.07 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.971 -1.081 . . . . 0.0 110.26 -179.591 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -110.78 1.83 18.0 Favored 'General case' 0 N--CA 1.503 2.197 0 O-C-N 120.974 -1.079 . . . . 0.0 110.523 -179.625 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.482 ' N ' ' O ' ' B' ' 23' ' ' ALA . 6.9 t-20 58.09 51.24 8.95 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.923 -1.11 . . . . 0.0 109.528 179.051 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 78.4 mt -117.67 151.87 49.03 Favored Pre-proline 0 N--CA 1.501 2.106 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 -179.565 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_endo -60.59 146.16 97.54 Favored 'Trans proline' 0 N--CA 1.491 1.332 0 C-N-CA 121.595 1.53 . . . . 0.0 111.261 -179.833 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 30' ' ' PRO . . . . . 0.419 ' O ' ' CG ' ' B' ' 34' ' ' LYS . 31.5 Cg_exo -42.19 -34.95 3.11 Favored 'Trans proline' 0 N--CA 1.488 1.193 0 C-N-CA 122.235 1.957 . . . . 0.0 111.785 -179.735 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 92.9 t -53.46 -48.26 57.96 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.707 0 O-C-N 121.205 -0.934 . . . . 0.0 110.744 -178.385 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . 0.475 HG13 HD11 ' B' ' 5' ' ' ILE . 60.2 t -68.39 -47.45 77.57 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.693 0 C-N-CA 118.807 -1.157 . . . . 0.0 109.403 -178.906 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.11 -41.16 86.68 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.118 -0.988 . . . . 0.0 109.704 179.629 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.419 ' CG ' ' O ' ' B' ' 30' ' ' PRO . 2.7 mmmm -62.34 -39.39 92.93 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.361 -0.837 . . . . 0.0 109.932 179.774 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 7.7 tm-20 -60.61 -39.42 88.07 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.073 -1.017 . . . . 0.0 110.159 -178.658 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 57.8 mt -59.19 -39.54 78.94 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.754 0 O-C-N 120.611 -1.305 . . . . 0.0 109.27 179.941 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 91.4 t -63.6 -40.32 88.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 C-N-CA 118.911 -1.115 . . . . 0.0 108.833 179.555 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . 0.566 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -60.57 -30.23 69.67 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.482 -0.761 . . . . 0.0 109.551 179.403 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 49.6 m -78.57 -24.27 45.64 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 120.593 -1.317 . . . . 0.0 109.845 -179.742 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 28.5 t -81.88 104.4 12.23 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.003 -1.06 . . . . 0.0 108.768 179.222 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 -60.99 -31.1 70.71 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.566 -0.709 . . . . 0.0 110.313 -178.934 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 58.2 mttp -69.58 -40.89 76.44 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.251 -0.906 . . . . 0.0 110.643 -178.913 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 63.1 m -83.16 -23.26 33.01 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 120.586 -1.321 . . . . 0.0 109.437 179.772 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . 0.566 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 16.3 tt0 . . . . . 0 N--CA 1.491 1.579 0 O-C-N 120.96 -1.087 . . . . 0.0 109.846 -179.393 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 . . . . . 0 N--CA 1.493 1.684 0 CA-C-O 121.207 0.527 . . . . 0.0 110.223 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 19.8 mt -70.37 -40.5 73.96 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.371 -0.831 . . . . 0.0 110.819 -178.243 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -67.44 -46.37 73.33 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.77 -1.207 . . . . 0.0 110.677 -179.2 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.01 -49.7 45.78 Favored Glycine 0 N--CA 1.496 2.677 0 C-N-CA 120.049 -1.072 . . . . 0.0 110.433 -179.04 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 81.6 mt -58.58 -37.91 67.74 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.763 0 O-C-N 121.302 -1.117 . . . . 0.0 110.057 -179.648 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -54.65 -46.85 74.06 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 120.708 -1.245 . . . . 0.0 108.566 -179.5 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 46.9 mtpt -69.32 -45.38 69.62 Favored 'General case' 0 C--N 1.302 -1.482 0 C-N-CA 119.27 -0.972 . . . . 0.0 109.276 179.167 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.42 -36.87 85.56 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.429 -0.795 . . . . 0.0 109.761 -179.689 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -56.66 -41.29 76.97 Favored 'General case' 0 C--N 1.307 -1.239 0 C-N-CA 119.483 -0.887 . . . . 0.0 108.833 -179.573 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -61.59 -42.82 99.41 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 120.753 -1.217 . . . . 0.0 108.749 179.076 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 34.5 tp10 -61.06 -41.02 95.83 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.24 -0.912 . . . . 0.0 108.59 179.304 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.535 ' O ' ' N ' ' A' ' 16' ' ' HIS . 13.0 t60 -61.01 -48.03 83.7 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.231 -0.918 . . . . 0.0 110.259 179.913 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -59.73 -42.09 92.35 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.226 -0.921 . . . . 0.0 110.443 -178.858 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -61.85 -30.32 70.77 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.293 -0.88 . . . . 0.0 112.806 -178.79 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -139.48 -8.12 1.29 Allowed 'General case' 0 N--CA 1.509 2.495 0 O-C-N 120.54 -1.35 . . . . 0.0 112.244 -177.342 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.535 ' N ' ' O ' ' A' ' 12' ' ' HIS . 91.6 m-70 55.5 41.92 30.33 Favored 'General case' 0 N--CA 1.494 1.766 0 N-CA-C 107.349 -1.352 . . . . 0.0 107.349 -177.424 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 99.1 p -63.21 157.32 22.86 Favored 'General case' 0 C--N 1.305 -1.336 0 CA-C-O 121.426 0.632 . . . . 0.0 109.751 -179.338 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 74.3 m-20 -72.6 159.48 33.82 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.237 -0.914 . . . . 0.0 108.995 179.651 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 40.2 p-90 -57.81 -29.51 64.96 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.16 -0.963 . . . . 0.0 110.186 -179.593 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 81.7 mtm180 -63.46 -40.77 98.0 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.004 -1.06 . . . . 0.0 110.512 -179.857 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.03 -46.94 66.68 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 120.98 -1.075 . . . . 0.0 109.463 -179.113 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 76.9 mtm -61.66 -40.53 95.26 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.429 -0.794 . . . . 0.0 109.68 179.251 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.475 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -58.58 -46.27 87.3 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.175 -0.953 . . . . 0.0 108.968 -179.673 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 67.9 m -70.32 -35.65 73.78 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.28 -0.887 . . . . 0.0 109.414 178.881 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 52.0 t0 -61.02 -40.78 94.86 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.343 -0.848 . . . . 0.0 110.112 -179.413 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -107.95 -0.6 21.29 Favored 'General case' 0 N--CA 1.504 2.24 0 O-C-N 121.467 -0.77 . . . . 0.0 110.626 -179.9 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.475 ' N ' ' O ' ' A' ' 23' ' ' ALA . 10.3 t-20 57.74 45.75 18.33 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.361 -0.837 . . . . 0.0 109.615 -179.848 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 46.9 mt -115.95 151.32 46.35 Favored Pre-proline 0 N--CA 1.504 2.242 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 179.685 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -61.53 151.49 79.6 Favored 'Trans proline' 0 N--CA 1.493 1.47 0 C-N-CA 121.902 1.735 . . . . 0.0 111.77 -179.383 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_exo -43.82 -34.84 6.29 Favored 'Trans proline' 0 C--N 1.315 -1.219 0 C-N-CA 122.059 1.839 . . . . 0.0 111.642 179.896 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 71.8 t -52.03 -49.83 37.25 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.775 0 O-C-N 121.376 -0.827 . . . . 0.0 110.425 -178.328 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 88.9 t -68.81 -49.31 65.06 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.623 0 C-N-CA 118.896 -1.122 . . . . 0.0 109.782 -179.283 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.44 -43.42 94.36 Favored 'General case' 0 C--N 1.3 -1.568 0 C-N-CA 119.614 -0.835 . . . . 0.0 110.237 -179.791 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 26.4 mtpp -61.71 -36.33 80.63 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 120.701 -1.25 . . . . 0.0 110.238 179.963 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.3 tm-20 -62.34 -38.64 90.28 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.051 -1.031 . . . . 0.0 110.24 -178.726 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 21.1 mt -60.63 -40.64 85.29 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.129 -0.982 . . . . 0.0 109.043 179.948 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 98.7 t -62.73 -39.0 83.13 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.452 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 179.261 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.16 -33.82 72.72 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.821 -0.549 . . . . 0.0 109.663 179.748 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 20.2 m -78.04 -25.41 47.78 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.053 -1.029 . . . . 0.0 109.456 -179.499 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 47.0 t -82.15 99.96 9.54 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.1 -1.0 . . . . 0.0 109.137 179.835 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -60.46 -29.81 69.27 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.34 -0.85 . . . . 0.0 109.976 -179.778 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 52.6 mtpt -69.1 -39.21 79.13 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.141 -0.974 . . . . 0.0 110.545 -178.926 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 59.9 m -84.95 -22.05 29.35 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.736 -1.227 . . . . 0.0 108.984 179.298 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 . . . . . 0 N--CA 1.497 1.893 0 O-C-N 121.211 -0.931 . . . . 0.0 109.009 -179.839 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 . . . . . 0 N--CA 1.492 1.641 0 CA-C-O 121.424 0.63 . . . . 0.0 110.103 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 22.1 mt -70.88 -41.21 71.64 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.306 -0.871 . . . . 0.0 110.784 -178.144 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 53.5 t0 -67.51 -45.98 74.22 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.747 -1.221 . . . . 0.0 110.408 -179.149 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.8 -50.08 44.43 Favored Glycine 0 N--CA 1.494 2.504 0 C-N-CA 119.993 -1.098 . . . . 0.0 110.653 -179.336 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 83.4 mt -58.67 -38.07 69.35 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.568 0 O-C-N 121.254 -1.144 . . . . 0.0 109.771 -179.6 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 62.5 t0 -54.46 -47.12 73.31 Favored 'General case' 0 C--N 1.302 -1.459 0 C-N-CA 118.563 -1.255 . . . . 0.0 108.921 -179.531 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 47.1 mtpt -69.54 -44.37 71.07 Favored 'General case' 0 N--CA 1.487 1.425 0 C-N-CA 119.309 -0.956 . . . . 0.0 109.291 178.93 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.61 -37.83 88.91 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.154 -0.966 . . . . 0.0 109.611 -179.816 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -56.28 -40.99 75.17 Favored 'General case' 0 N--CA 1.484 1.249 0 O-C-N 121.264 -0.897 . . . . 0.0 109.16 -179.581 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -61.45 -43.12 99.43 Favored 'General case' 0 C--N 1.3 -1.555 0 C-N-CA 118.592 -1.243 . . . . 0.0 108.605 178.624 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 33.4 tp10 -60.73 -41.98 96.41 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.224 -0.923 . . . . 0.0 108.917 179.288 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 12' ' ' HIS . . . . . 0.541 ' O ' ' N ' ' B' ' 16' ' ' HIS . 12.5 t60 -60.74 -47.27 87.04 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.332 -0.855 . . . . 0.0 110.281 179.899 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -60.48 -41.1 93.55 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.015 -1.053 . . . . 0.0 110.508 -178.988 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -62.71 -29.81 70.94 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.512 -0.742 . . . . 0.0 112.7 -178.679 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -139.81 -8.21 1.23 Allowed 'General case' 0 N--CA 1.509 2.489 0 O-C-N 120.669 -1.27 . . . . 0.0 112.143 -177.133 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.541 ' N ' ' O ' ' B' ' 12' ' ' HIS . 90.8 m-70 55.67 42.75 29.06 Favored 'General case' 0 N--CA 1.492 1.642 0 N-CA-C 107.229 -1.397 . . . . 0.0 107.229 -177.851 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 93.6 p -64.56 156.46 29.8 Favored 'General case' 0 C--N 1.304 -1.393 0 CA-C-O 121.393 0.616 . . . . 0.0 109.832 -179.101 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 69.7 m-20 -72.01 158.85 35.22 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.029 -1.044 . . . . 0.0 108.817 179.653 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 40.9 p-90 -57.58 -29.1 64.18 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.239 -0.913 . . . . 0.0 110.257 -179.62 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 82.2 mtm180 -64.05 -40.56 96.57 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 120.925 -1.109 . . . . 0.0 110.477 -179.905 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.88 -46.12 69.23 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 120.856 -1.153 . . . . 0.0 109.496 -179.538 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 77.2 mtm -63.09 -39.76 95.65 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.88 -1.137 . . . . 0.0 109.792 179.58 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.479 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -58.59 -46.28 87.29 Favored 'General case' 0 N--CA 1.491 1.618 0 C-N-CA 119.432 -0.907 . . . . 0.0 108.639 -179.862 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 67.9 m -69.99 -36.87 75.49 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.232 -0.918 . . . . 0.0 109.394 179.365 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 51.1 t0 -60.03 -41.2 91.72 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.449 -0.782 . . . . 0.0 110.346 -179.438 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -107.88 -0.31 21.58 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.266 -0.896 . . . . 0.0 110.168 -179.676 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.479 ' N ' ' O ' ' B' ' 23' ' ' ALA . 10.4 t-20 57.96 44.83 19.07 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.269 -0.895 . . . . 0.0 109.456 179.917 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 49.9 mt -114.95 151.45 45.54 Favored Pre-proline 0 N--CA 1.498 1.938 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 179.5 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_endo -61.55 150.45 85.3 Favored 'Trans proline' 0 N--CA 1.495 1.601 0 C-N-CA 121.936 1.757 . . . . 0.0 112.031 -179.531 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 27.2 Cg_exo -42.93 -34.61 3.87 Favored 'Trans proline' 0 C--N 1.312 -1.379 0 C-N-CA 122.023 1.815 . . . . 0.0 111.6 179.685 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 75.8 t -52.9 -49.85 46.36 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.563 0 O-C-N 121.334 -0.854 . . . . 0.0 110.335 -178.572 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 61.5 t -68.6 -49.57 63.86 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.813 0 C-N-CA 118.506 -1.278 . . . . 0.0 109.811 -179.204 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.45 -43.23 94.94 Favored 'General case' 0 C--N 1.304 -1.375 0 C-N-CA 119.593 -0.843 . . . . 0.0 110.24 -179.752 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -61.67 -36.82 81.94 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.614 -1.304 . . . . 0.0 110.258 179.836 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.4 tm-20 -61.3 -39.07 89.1 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 120.947 -1.096 . . . . 0.0 110.452 -178.61 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 22.4 mt -60.42 -40.73 85.01 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.224 -0.923 . . . . 0.0 109.072 -179.971 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 94.7 t -62.2 -39.44 83.99 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.395 0 N-CA-C 108.431 -0.951 . . . . 0.0 108.431 179.471 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . 0.428 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -60.16 -33.48 72.24 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.717 -0.614 . . . . 0.0 109.71 179.739 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 22.2 m -77.88 -24.77 48.38 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.383 -0.823 . . . . 0.0 109.505 -179.835 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 46.2 t -83.58 99.53 10.23 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.367 -0.833 . . . . 0.0 109.089 179.846 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 92.7 m-20 -60.1 -29.95 68.93 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.126 -0.984 . . . . 0.0 109.873 -179.834 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 50.6 mtpt -68.71 -38.65 80.4 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.196 -0.94 . . . . 0.0 110.578 -178.803 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 58.9 m -85.74 -21.01 28.44 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 120.672 -1.268 . . . . 0.0 109.231 179.349 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . 0.428 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 17.7 tt0 . . . . . 0 N--CA 1.492 1.653 0 O-C-N 121.273 -0.892 . . . . 0.0 108.897 -179.719 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . 0.505 ' CE2' ' CE2' ' B' ' 1' ' ' PHE . 34.1 m-85 . . . . . 0 N--CA 1.495 1.786 0 CA-C-O 121.676 0.75 . . . . 0.0 109.816 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 44.3 mt -66.7 -36.55 82.76 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.354 -0.841 . . . . 0.0 111.423 -177.918 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 53.7 t0 -61.62 -48.54 80.41 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.958 -1.089 . . . . 0.0 109.861 -179.059 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.3 -43.17 80.45 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 110.046 -1.221 . . . . 0.0 110.046 -179.655 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 74.6 mt -61.48 -39.99 84.85 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.739 0 O-C-N 121.508 -0.995 . . . . 0.0 110.378 -179.546 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -57.88 -47.18 83.52 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 120.96 -1.087 . . . . 0.0 109.601 -179.132 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -69.01 -39.89 79.03 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.133 -0.979 . . . . 0.0 109.226 179.338 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.38 -39.3 85.62 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.686 -0.634 . . . . 0.0 109.953 179.954 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 10.9 tm0? -56.37 -40.85 75.22 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 119.278 -0.969 . . . . 0.0 109.248 -179.65 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -61.45 -42.29 98.53 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.953 -1.092 . . . . 0.0 109.001 179.43 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.0 tp10 -60.69 -40.3 91.69 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 179.598 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.572 ' O ' ' N ' ' A' ' 16' ' ' HIS . 14.2 t60 -60.78 -47.71 85.09 Favored 'General case' 0 N--CA 1.486 1.371 0 O-C-N 121.527 -0.733 . . . . 0.0 110.227 179.528 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -60.4 -40.79 92.24 Favored 'General case' 0 C--N 1.294 -1.815 0 O-C-N 121.047 -1.033 . . . . 0.0 110.057 -178.684 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 51.5 mtpt -62.86 -33.63 75.67 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.761 -0.587 . . . . 0.0 112.549 -177.995 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -138.94 -2.18 1.72 Allowed 'General case' 0 N--CA 1.509 2.476 0 O-C-N 120.953 -1.092 . . . . 0.0 112.241 -177.463 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.572 ' N ' ' O ' ' A' ' 12' ' ' HIS . 91.0 m-70 52.56 42.16 31.32 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 120.183 -1.573 . . . . 0.0 107.816 -177.598 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 89.8 p -62.41 159.35 15.62 Favored 'General case' 0 C--N 1.298 -1.646 0 C-N-CA 119.834 -0.746 . . . . 0.0 110.365 -178.572 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 22.9 m120 -75.02 158.21 33.59 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.61 -0.681 . . . . 0.0 109.532 179.664 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 36.1 p-90 -57.18 -30.04 64.17 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.003 -1.06 . . . . 0.0 110.098 -179.762 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -63.64 -39.85 95.37 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.512 -1.367 . . . . 0.0 109.255 179.43 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.67 -50.16 53.28 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.375 -0.828 . . . . 0.0 109.619 -179.863 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 78.0 mtm -60.38 -39.87 88.8 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.11 -0.994 . . . . 0.0 109.485 -179.843 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.5 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -60.39 -44.45 95.66 Favored 'General case' 0 N--CA 1.489 1.507 0 C-N-CA 119.293 -0.963 . . . . 0.0 109.182 -179.673 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 31.0 m -70.08 -38.45 75.72 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.506 -0.746 . . . . 0.0 110.222 -179.694 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -59.5 -40.24 86.42 Favored 'General case' 0 C--N 1.297 -1.692 0 C-N-CA 119.306 -0.958 . . . . 0.0 110.333 -177.972 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -110.87 -3.22 15.76 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.512 -0.742 . . . . 0.0 110.326 -179.132 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.5 ' N ' ' O ' ' A' ' 23' ' ' ALA . 1.6 t-20 58.87 49.13 10.21 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.557 -0.714 . . . . 0.0 110.145 179.389 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 46.8 mt -112.91 146.31 34.84 Favored Pre-proline 0 N--CA 1.505 2.286 0 O-C-N 121.101 -0.999 . . . . 0.0 109.003 179.561 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -46.04 147.14 3.75 Favored 'Trans proline' 0 N--CA 1.489 1.239 0 C-N-CA 120.951 1.101 . . . . 0.0 111.466 179.082 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -44.36 -40.2 12.95 Favored 'Trans proline' 0 C--N 1.314 -1.253 0 C-N-CA 121.954 1.77 . . . . 0.0 111.842 178.585 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.452 HG21 ' CD1' ' B' ' 5' ' ' ILE . 57.8 t -51.8 -46.54 39.82 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 121.4 -0.813 . . . . 0.0 110.361 -178.572 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 45.4 t -65.16 -50.29 74.77 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.885 0 C-N-CA 117.886 -1.525 . . . . 0.0 108.543 -178.737 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.49 -46.9 84.0 Favored 'General case' 0 C--N 1.3 -1.55 0 C-N-CA 120.07 -0.652 . . . . 0.0 110.307 179.545 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 41.3 mtmt -60.84 -36.62 79.58 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.007 -1.058 . . . . 0.0 110.182 179.919 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.7 tm-20 -60.48 -37.18 80.21 Favored 'General case' 0 C--N 1.305 -1.355 0 C-N-CA 119.242 -0.983 . . . . 0.0 108.89 -179.27 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 68.0 mt -59.77 -40.76 83.39 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.491 0 O-C-N 121.166 -0.959 . . . . 0.0 108.832 178.851 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 92.0 t -62.17 -39.66 84.75 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.465 0 O-C-N 121.041 -1.037 . . . . 0.0 108.517 179.317 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.18 -32.11 69.62 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.43 -0.793 . . . . 0.0 109.257 179.67 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 30.7 m -77.8 -30.1 51.08 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.99 -1.069 . . . . 0.0 110.026 -179.486 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 43.1 t -83.11 104.1 13.04 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.454 -0.778 . . . . 0.0 109.764 179.709 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 84.4 m-20 -61.61 -30.4 70.67 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.352 -0.843 . . . . 0.0 110.823 -179.699 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 64.4 mttp -68.9 -40.25 79.24 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.968 -1.083 . . . . 0.0 110.506 -178.656 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 90.7 m -88.02 -21.01 25.03 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 120.737 -1.227 . . . . 0.0 110.105 -179.918 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 . . . . . 0 C--N 1.298 -1.668 0 C-N-CA 119.531 -0.867 . . . . 0.0 109.695 -178.285 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . 0.505 ' CE2' ' CE2' ' A' ' 1' ' ' PHE . 33.4 m-85 . . . . . 0 N--CA 1.492 1.663 0 CA-C-O 121.533 0.682 . . . . 0.0 109.664 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 33.1 mt -66.07 -36.53 83.47 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.3 -0.875 . . . . 0.0 111.114 -178.458 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 53.5 t0 -61.5 -47.61 84.83 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 120.945 -1.097 . . . . 0.0 109.921 -178.768 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.96 -43.46 65.39 Favored Glycine 0 N--CA 1.492 2.426 0 N-CA-C 109.974 -1.251 . . . . 0.0 109.974 -179.56 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . 0.452 ' CD1' HG21 ' A' ' 31' ' ' VAL . 74.0 mt -61.62 -40.14 85.6 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.407 -1.055 . . . . 0.0 110.515 -179.537 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -56.96 -48.65 77.84 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.061 -1.025 . . . . 0.0 109.303 -179.166 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -69.33 -39.7 78.03 Favored 'General case' 0 C--N 1.296 -1.721 0 C-N-CA 119.145 -1.022 . . . . 0.0 109.516 179.118 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.9 -38.49 86.36 Favored 'General case' 0 C--N 1.3 -1.571 0 C-N-CA 119.497 -0.881 . . . . 0.0 109.73 179.981 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 11.6 tm0? -56.87 -41.09 77.37 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.249 -0.907 . . . . 0.0 110.063 -179.608 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -61.16 -42.75 99.11 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.889 -1.132 . . . . 0.0 109.017 179.245 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 40.0 tp10 -59.88 -40.08 87.48 Favored 'General case' 0 C--N 1.303 -1.427 0 N-CA-C 108.307 -0.998 . . . . 0.0 108.307 179.517 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 12' ' ' HIS . . . . . 0.607 ' O ' ' N ' ' B' ' 16' ' ' HIS . 14.0 t60 -61.03 -47.99 83.83 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.501 -0.749 . . . . 0.0 110.105 179.192 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -60.32 -40.8 91.9 Favored 'General case' 0 C--N 1.297 -1.691 0 O-C-N 121.249 -0.907 . . . . 0.0 109.817 -178.798 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 52.9 mtpt -62.36 -32.86 73.71 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.537 -0.727 . . . . 0.0 112.84 -178.426 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -140.48 -0.13 1.61 Allowed 'General case' 0 N--CA 1.508 2.433 0 O-C-N 120.59 -1.319 . . . . 0.0 111.915 -177.865 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.607 ' N ' ' O ' ' B' ' 12' ' ' HIS . 90.8 m-70 51.78 42.57 30.03 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.431 -1.418 . . . . 0.0 107.935 -177.764 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 81.0 p -62.58 157.47 20.5 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 121.432 -0.792 . . . . 0.0 110.656 -178.655 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 20.6 m120 -73.99 156.71 37.27 Favored 'General case' 0 N--CA 1.493 1.714 0 CA-C-O 121.225 0.536 . . . . 0.0 109.915 -179.888 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 35.7 p-90 -55.51 -31.24 61.88 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.087 -1.008 . . . . 0.0 110.518 -179.511 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -63.18 -39.7 95.39 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 120.733 -1.229 . . . . 0.0 109.595 179.278 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.73 -49.47 58.51 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.44 -0.787 . . . . 0.0 109.48 -179.745 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 77.3 mtm -61.38 -40.18 93.39 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.407 -0.808 . . . . 0.0 110.167 179.689 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.492 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -60.42 -43.51 96.67 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.132 -0.98 . . . . 0.0 109.286 179.952 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 25.0 m -70.25 -37.44 74.94 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.444 -0.785 . . . . 0.0 110.562 -179.497 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -61.57 -39.74 92.22 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.27 -0.894 . . . . 0.0 110.537 -178.666 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -110.61 -3.07 16.1 Favored 'General case' 0 N--CA 1.502 2.17 0 O-C-N 121.387 -0.82 . . . . 0.0 110.188 -179.391 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.492 ' N ' ' O ' ' B' ' 23' ' ' ALA . 1.6 t-20 58.32 48.83 11.88 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.4 -0.812 . . . . 0.0 110.222 179.447 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 57.5 mt -112.57 144.19 30.44 Favored Pre-proline 0 N--CA 1.502 2.159 0 O-C-N 121.158 -0.964 . . . . 0.0 109.358 -179.713 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_exo -45.02 145.17 3.26 Favored 'Trans proline' 0 N--CA 1.49 1.288 0 C-N-CA 121.589 1.526 . . . . 0.0 111.546 179.184 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -42.73 -40.7 8.11 Favored 'Trans proline' 0 C--N 1.31 -1.498 0 C-N-CA 121.671 1.581 . . . . 0.0 111.588 179.433 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 60.9 t -51.25 -47.27 33.62 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.779 0 O-C-N 121.543 -0.723 . . . . 0.0 110.384 -178.268 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 48.2 t -65.11 -49.61 78.44 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.885 0 C-N-CA 118.233 -1.387 . . . . 0.0 109.143 -179.003 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.98 -46.92 82.44 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.347 -0.846 . . . . 0.0 109.683 179.794 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 39.9 mtmt -60.74 -36.78 79.73 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.286 -0.884 . . . . 0.0 109.953 -179.77 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 14.6 tm-20 -60.41 -37.51 81.07 Favored 'General case' 0 C--N 1.305 -1.334 0 O-C-N 120.953 -1.092 . . . . 0.0 109.004 -178.911 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 76.8 mt -59.6 -38.7 76.85 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.483 0 O-C-N 121.061 -1.024 . . . . 0.0 108.835 178.818 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 87.0 t -63.29 -39.36 84.99 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.455 0 O-C-N 121.129 -0.982 . . . . 0.0 108.652 179.055 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . 0.553 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -59.6 -31.81 69.82 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 -179.827 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 45.3 m -78.09 -30.58 49.66 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 119.848 -0.741 . . . . 0.0 110.179 -179.443 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 43.0 t -83.2 105.08 13.88 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.2 -0.937 . . . . 0.0 109.123 -179.978 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -62.04 -30.14 70.77 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.121 -0.987 . . . . 0.0 110.48 -179.405 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -68.28 -39.9 81.97 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.11 -0.994 . . . . 0.0 111.012 -178.773 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 96.4 m -88.63 -20.89 24.35 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.904 -1.122 . . . . 0.0 109.771 -179.82 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . 0.553 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 7.2 tt0 . . . . . 0 N--CA 1.491 1.604 0 O-C-N 121.358 -0.839 . . . . 0.0 109.897 -178.815 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 . . . . . 0 N--CA 1.494 1.738 0 CA-C-O 121.508 0.671 . . . . 0.0 110.322 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 41.9 mt -71.35 -39.22 71.43 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.147 -0.971 . . . . 0.0 110.668 -178.774 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -66.04 -39.77 90.44 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.019 -1.051 . . . . 0.0 111.227 -178.869 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.11 -49.7 15.28 Favored Glycine 0 N--CA 1.495 2.595 0 N-CA-C 109.97 -1.252 . . . . 0.0 109.97 -179.454 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.526 ' O ' ' N ' ' A' ' 9' ' ' GLN . 84.7 mt -59.89 -40.08 81.81 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.653 0 O-C-N 121.151 -1.205 . . . . 0.0 109.79 -179.738 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -53.02 -47.72 68.13 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 120.781 -1.199 . . . . 0.0 109.359 -178.902 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -69.75 -43.95 71.22 Favored 'General case' 0 C--N 1.302 -1.485 0 C-N-CA 119.038 -1.065 . . . . 0.0 109.236 178.624 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.71 -32.38 73.64 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.0 -1.063 . . . . 0.0 109.985 179.973 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.526 ' N ' ' O ' ' A' ' 5' ' ' ILE . 60.5 tt0 -59.44 -41.11 88.86 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.229 -0.919 . . . . 0.0 109.797 -179.554 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -61.94 -41.72 98.29 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 179.702 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.7 tm-20 -60.94 -40.71 94.31 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 178.745 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.575 ' O ' ' N ' ' A' ' 16' ' ' HIS . 12.8 t60 -63.38 -47.3 82.62 Favored 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 119.325 -0.95 . . . . 0.0 109.856 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -59.94 -41.66 92.3 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.084 -1.01 . . . . 0.0 110.497 -178.842 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.7 mtpp -63.19 -33.63 75.89 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.539 -0.726 . . . . 0.0 112.46 -178.402 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -136.31 -7.64 2.01 Favored 'General case' 0 N--CA 1.508 2.443 0 O-C-N 120.863 -1.148 . . . . 0.0 112.482 -176.864 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.575 ' N ' ' O ' ' A' ' 12' ' ' HIS . 95.7 m-70 55.82 43.93 26.86 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 107.163 -1.421 . . . . 0.0 107.163 -177.74 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 97.8 p -64.21 159.85 19.81 Favored 'General case' 0 C--N 1.303 -1.425 0 CA-C-O 121.576 0.703 . . . . 0.0 110.043 -178.828 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -74.03 160.56 31.13 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 -179.989 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 33.2 p-90 -59.54 -30.33 68.53 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.886 -1.134 . . . . 0.0 110.19 -179.305 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -63.83 -42.15 97.7 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.001 -1.062 . . . . 0.0 110.416 -179.935 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.56 -49.02 70.39 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.204 -0.935 . . . . 0.0 109.722 -179.498 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 76.8 mtm -60.44 -39.96 89.38 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.163 -0.96 . . . . 0.0 109.437 179.863 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.469 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -57.67 -45.33 85.73 Favored 'General case' 0 C--N 1.299 -1.625 0 C-N-CA 119.633 -0.827 . . . . 0.0 109.517 -179.872 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 21.6 t -70.77 -37.85 73.41 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.399 -0.813 . . . . 0.0 109.74 179.738 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -60.65 -41.93 95.95 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.596 -0.69 . . . . 0.0 110.695 -179.45 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -108.51 -0.34 20.47 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.552 -0.717 . . . . 0.0 110.008 -179.455 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.469 ' N ' ' O ' ' A' ' 23' ' ' ALA . 11.3 t-20 56.79 51.39 10.94 Favored 'General case' 0 C--N 1.301 -1.539 0 C-N-CA 119.634 -0.826 . . . . 0.0 109.536 -179.768 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 66.1 mt -121.17 150.49 53.88 Favored Pre-proline 0 N--CA 1.509 2.495 0 O-C-N 121.085 -1.009 . . . . 0.0 108.885 -179.915 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_endo -59.33 148.86 84.51 Favored 'Trans proline' 0 C--N 1.313 -1.311 0 C-N-CA 121.465 1.443 . . . . 0.0 111.646 -179.75 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 27.2 Cg_exo -42.08 -31.71 1.66 Allowed 'Trans proline' 0 C--N 1.31 -1.466 0 C-N-CA 121.952 1.768 . . . . 0.0 110.9 178.972 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 42.8 t -52.76 -52.64 26.08 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.618 0 O-C-N 121.334 -0.854 . . . . 0.0 110.834 -178.234 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 99.3 t -68.27 -49.12 69.72 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.962 0 C-N-CA 118.435 -1.306 . . . . 0.0 109.559 -178.97 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.6 -44.34 94.29 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.243 -0.911 . . . . 0.0 110.611 -179.716 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -61.07 -36.14 78.84 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.832 -1.168 . . . . 0.0 110.457 -179.609 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.6 tm-20 -60.98 -39.47 89.76 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.712 -1.242 . . . . 0.0 110.188 -179.347 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 12.8 mt -60.21 -40.23 83.0 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.453 0 O-C-N 120.915 -1.116 . . . . 0.0 108.976 -179.922 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 74.9 t -62.64 -40.08 87.07 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.621 0 O-C-N 121.303 -0.873 . . . . 0.0 108.878 179.455 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.82 -32.46 70.67 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.394 -0.816 . . . . 0.0 111.222 -179.512 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 41.0 m -80.5 -23.43 40.12 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.967 -1.083 . . . . 0.0 110.417 -178.952 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 41.6 t -86.26 108.01 18.2 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.093 -1.004 . . . . 0.0 110.783 -179.407 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 -63.52 -28.23 69.81 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.456 -0.777 . . . . 0.0 109.43 179.066 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 62.1 mttp -74.88 9.92 1.67 Allowed 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.475 -0.765 . . . . 0.0 109.837 -179.443 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 78.3 m -147.7 -32.4 0.28 Allowed 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.35 -0.844 . . . . 0.0 109.579 -179.981 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 . . . . . 0 N--CA 1.494 1.769 0 O-C-N 121.033 -1.042 . . . . 0.0 109.721 179.785 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 . . . . . 0 N--CA 1.492 1.668 0 CA-C-O 121.628 0.727 . . . . 0.0 110.254 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 46.4 mt -68.66 -39.59 80.59 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.209 -0.932 . . . . 0.0 110.468 -178.075 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -64.24 -40.14 95.41 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.349 -0.844 . . . . 0.0 111.144 -179.272 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.29 -50.46 12.25 Favored Glycine 0 N--CA 1.494 2.535 0 N-CA-C 109.926 -1.27 . . . . 0.0 109.926 -179.533 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . 0.519 ' O ' ' N ' ' B' ' 9' ' ' GLN . 87.9 mt -59.6 -39.65 80.04 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.605 0 O-C-N 121.529 -0.983 . . . . 0.0 110.36 -179.444 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -53.26 -49.03 67.74 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 120.876 -1.14 . . . . 0.0 109.419 -179.781 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 61.2 mttp -69.08 -44.91 71.6 Favored 'General case' 0 C--N 1.3 -1.562 0 C-N-CA 119.06 -1.056 . . . . 0.0 109.497 179.244 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.75 -32.8 74.55 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.195 -0.94 . . . . 0.0 110.096 179.99 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . 0.519 ' N ' ' O ' ' B' ' 5' ' ' ILE . 61.0 tt0 -59.28 -41.46 88.95 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 121.388 -0.82 . . . . 0.0 109.722 -179.56 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -61.17 -42.64 98.93 Favored 'General case' 0 C--N 1.302 -1.463 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 179.91 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 11.4 tm-20 -60.16 -40.83 91.26 Favored 'General case' 0 N--CA 1.487 1.414 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 178.783 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 12' ' ' HIS . . . . . 0.553 ' O ' ' N ' ' B' ' 16' ' ' HIS . 14.5 t60 -63.49 -47.29 82.37 Favored 'General case' 0 C--N 1.305 -1.338 0 O-C-N 121.283 -0.886 . . . . 0.0 109.976 179.762 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -59.93 -42.03 93.06 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.995 -1.066 . . . . 0.0 110.151 -178.765 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 24.2 mtpp -62.23 -34.52 76.67 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.588 -0.695 . . . . 0.0 112.604 -178.855 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -135.59 -8.88 2.17 Favored 'General case' 0 N--CA 1.514 2.733 0 O-C-N 120.776 -1.203 . . . . 0.0 112.712 -177.1 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.553 ' N ' ' O ' ' B' ' 12' ' ' HIS . 95.3 m-70 57.26 43.03 24.3 Favored 'General case' 0 N--CA 1.496 1.859 0 N-CA-C 107.356 -1.35 . . . . 0.0 107.356 -177.785 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 85.7 p -64.58 159.8 20.99 Favored 'General case' 0 C--N 1.306 -1.301 0 O-C-N 121.572 -0.705 . . . . 0.0 110.495 -178.917 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 -73.69 160.73 31.14 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 179.368 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 34.9 p-90 -59.22 -31.55 69.16 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.993 -1.067 . . . . 0.0 110.257 -179.276 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -62.61 -40.47 97.07 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.17 -0.956 . . . . 0.0 110.413 179.868 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.85 -48.8 65.11 Favored 'General case' 0 C--N 1.298 -1.672 0 O-C-N 121.219 -0.926 . . . . 0.0 110.15 -179.075 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 77.0 mtm -61.15 -39.78 91.36 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.099 -1.0 . . . . 0.0 109.12 179.402 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.527 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -56.44 -46.87 80.1 Favored 'General case' 0 C--N 1.299 -1.622 0 C-N-CA 119.476 -0.89 . . . . 0.0 109.446 -179.602 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 23.3 t -69.92 -39.05 76.39 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.558 -0.714 . . . . 0.0 109.784 179.796 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -59.57 -39.2 83.3 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.547 -0.721 . . . . 0.0 110.403 -179.124 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -111.94 -0.36 15.81 Favored 'General case' 0 N--CA 1.504 2.253 0 O-C-N 121.446 -0.784 . . . . 0.0 110.038 179.796 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.527 ' N ' ' O ' ' B' ' 23' ' ' ALA . 12.9 t-20 56.5 50.27 13.28 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.441 -0.787 . . . . 0.0 110.183 179.861 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 70.9 mt -118.77 150.37 48.27 Favored Pre-proline 0 N--CA 1.505 2.29 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 179.831 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_endo -59.82 148.72 87.18 Favored 'Trans proline' 0 N--CA 1.487 1.11 0 C-N-CA 121.381 1.388 . . . . 0.0 111.424 -179.918 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -43.67 -30.32 2.74 Favored 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 121.501 1.467 . . . . 0.0 111.226 179.768 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 37.3 t -52.52 -52.59 25.18 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.609 0 O-C-N 121.301 -0.875 . . . . 0.0 110.397 -178.678 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 97.6 t -67.95 -50.06 62.84 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.797 0 C-N-CA 118.857 -1.137 . . . . 0.0 109.869 -178.568 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.75 -44.92 94.95 Favored 'General case' 0 C--N 1.297 -1.698 0 O-C-N 121.264 -0.897 . . . . 0.0 110.473 -179.951 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 52.3 mtpt -60.69 -36.79 79.67 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 120.914 -1.116 . . . . 0.0 110.395 -179.826 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -61.05 -39.46 89.93 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.933 -1.104 . . . . 0.0 110.145 -179.76 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 13.5 mt -59.97 -40.66 83.65 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 120.976 -1.078 . . . . 0.0 109.003 179.783 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 78.5 t -63.38 -37.62 80.0 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 O-C-N 121.283 -0.886 . . . . 0.0 109.18 179.329 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . 0.478 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -61.62 -32.0 72.11 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.337 -0.852 . . . . 0.0 111.03 -179.541 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 50.4 m -80.72 -23.22 39.63 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.022 -1.049 . . . . 0.0 110.616 -179.093 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 43.1 t -86.15 108.4 18.3 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.145 -0.972 . . . . 0.0 110.601 -179.047 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -63.84 -29.15 70.37 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.527 -0.733 . . . . 0.0 109.156 178.975 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.96 9.59 1.13 Allowed 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.439 -0.788 . . . . 0.0 109.989 -179.458 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 85.4 m -148.08 -34.15 0.23 Allowed 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.238 -0.913 . . . . 0.0 109.58 -179.713 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . 0.478 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 52.5 tt0 . . . . . 0 N--CA 1.493 1.704 0 O-C-N 121.103 -0.998 . . . . 0.0 109.81 179.906 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . 0.513 ' CE2' ' CE2' ' B' ' 1' ' ' PHE . 77.0 m-85 . . . . . 0 N--CA 1.487 1.413 0 CA-C-O 121.508 0.67 . . . . 0.0 109.477 . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 22.9 mt -73.99 -42.72 59.99 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.424 -0.797 . . . . 0.0 110.687 -178.796 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 62.3 t0 -61.15 -49.73 76.04 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.151 -0.968 . . . . 0.0 111.239 -178.329 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.68 -44.65 89.09 Favored Glycine 0 N--CA 1.488 2.158 0 N-CA-C 109.989 -1.244 . . . . 0.0 109.989 -179.203 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.553 HD11 HG11 ' B' ' 31' ' ' VAL . 74.3 mt -60.17 -40.15 82.69 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.195 -1.179 . . . . 0.0 110.566 -179.606 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -56.81 -47.58 79.95 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.832 -1.168 . . . . 0.0 109.647 -179.202 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -68.79 -40.03 79.83 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.197 -0.939 . . . . 0.0 109.041 178.858 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.15 -36.77 77.76 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.274 -0.892 . . . . 0.0 109.778 179.719 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 5' ' ' ILE . 61.9 tt0 -57.07 -41.53 78.97 Favored 'General case' 0 C--N 1.302 -1.461 0 C-N-CA 119.385 -0.926 . . . . 0.0 109.404 -179.439 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 78.2 tt0 -61.53 -41.21 97.0 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 120.908 -1.12 . . . . 0.0 108.836 179.213 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 19.6 tp10 -61.52 -41.13 96.85 Favored 'General case' 0 N--CA 1.493 1.704 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 178.893 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.556 ' O ' ' N ' ' A' ' 16' ' ' HIS . 15.6 t60 -61.35 -49.81 75.45 Favored 'General case' 0 C--N 1.305 -1.362 0 CA-C-O 121.514 0.673 . . . . 0.0 109.846 179.38 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 31.6 tp10 -59.76 -40.57 88.61 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 121.176 -0.953 . . . . 0.0 110.112 -178.768 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.1 mtpp -60.56 -39.3 87.49 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.172 -0.955 . . . . 0.0 112.254 -178.663 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -133.68 -3.0 2.96 Favored 'General case' 0 N--CA 1.51 2.551 0 O-C-N 120.961 -1.087 . . . . 0.0 112.701 -176.967 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.556 ' N ' ' O ' ' A' ' 12' ' ' HIS . 93.6 m-70 54.45 46.85 24.12 Favored 'General case' 0 N--CA 1.498 1.966 0 N-CA-C 107.335 -1.357 . . . . 0.0 107.335 -177.613 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 96.7 p -66.26 154.64 39.34 Favored 'General case' 0 C--N 1.302 -1.473 0 CA-C-O 121.459 0.647 . . . . 0.0 110.121 -178.489 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -70.9 159.16 35.17 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.184 -0.948 . . . . 0.0 108.84 179.96 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 27.6 p-90 -58.21 -27.98 64.41 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.363 -0.835 . . . . 0.0 110.076 -179.187 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -64.48 -39.84 94.56 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.029 -1.045 . . . . 0.0 110.213 179.648 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.42 -45.17 69.81 Favored 'General case' 0 C--N 1.298 -1.644 0 O-C-N 121.26 -0.9 . . . . 0.0 109.835 -179.093 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 79.8 mtm -63.44 -39.98 95.93 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.137 -0.977 . . . . 0.0 109.628 -179.958 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.487 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -56.56 -46.6 80.63 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.317 -0.864 . . . . 0.0 109.601 -179.966 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 27.8 t -70.84 -38.21 73.2 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.375 -0.828 . . . . 0.0 110.161 179.931 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -60.08 -39.46 86.19 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.191 -0.943 . . . . 0.0 110.41 -179.343 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -112.6 2.66 16.29 Favored 'General case' 0 N--CA 1.502 2.165 0 O-C-N 121.305 -0.872 . . . . 0.0 109.761 -179.746 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.487 ' N ' ' O ' ' A' ' 23' ' ' ALA . 83.2 m-20 54.41 49.06 19.22 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.499 -0.751 . . . . 0.0 109.968 179.949 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 73.8 mt -117.78 151.62 48.86 Favored Pre-proline 0 N--CA 1.505 2.318 0 O-C-N 121.317 -0.864 . . . . 0.0 108.838 179.786 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_endo -60.32 161.33 20.35 Favored 'Trans proline' 0 N--CA 1.49 1.282 0 C-N-CA 121.702 1.601 . . . . 0.0 111.067 179.912 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_endo -54.77 -34.14 83.45 Favored 'Trans proline' 0 C--N 1.302 -1.886 0 C-N-CA 122.361 2.041 . . . . 0.0 111.613 179.846 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.529 HG11 HD11 ' B' ' 5' ' ' ILE . 95.4 t -54.27 -48.97 66.49 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.577 0 O-C-N 121.339 -0.85 . . . . 0.0 110.131 -178.79 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 68.6 t -68.05 -46.37 81.74 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.923 0 C-N-CA 118.239 -1.384 . . . . 0.0 109.48 -179.689 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.95 -45.14 86.97 Favored 'General case' 0 C--N 1.294 -1.812 0 C-N-CA 119.705 -0.798 . . . . 0.0 110.365 179.924 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.9 mtmm -62.7 -35.69 80.52 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 120.555 -1.341 . . . . 0.0 110.408 -179.505 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.8 tm-20 -59.9 -38.77 83.23 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.764 -1.21 . . . . 0.0 109.149 -179.359 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 21.4 mt -60.03 -40.24 82.62 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 120.834 -1.166 . . . . 0.0 108.396 179.49 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 97.0 t -62.86 -39.72 86.06 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.441 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 179.086 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.87 -30.52 71.58 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 179.508 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.3 m -79.46 -27.31 41.6 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.235 -0.916 . . . . 0.0 109.188 179.793 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 35.8 t -82.59 103.34 12.05 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.195 -0.941 . . . . 0.0 109.107 179.669 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -60.65 -29.52 69.32 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.275 -0.891 . . . . 0.0 110.699 -179.688 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 48.5 mtpt -70.41 -40.84 73.63 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.076 -1.015 . . . . 0.0 110.887 -178.768 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 81.4 m -85.99 -23.52 26.82 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.058 -1.026 . . . . 0.0 109.808 -179.911 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 . . . . . 0 N--CA 1.491 1.615 0 O-C-N 121.222 -0.924 . . . . 0.0 110.532 -178.588 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . 0.513 ' CE2' ' CE2' ' A' ' 1' ' ' PHE . 74.1 m-85 . . . . . 0 N--CA 1.488 1.453 0 CA-C-O 121.484 0.659 . . . . 0.0 109.729 . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 17.0 mt -74.53 -41.7 60.15 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.153 -0.967 . . . . 0.0 110.859 -178.948 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -62.27 -49.81 74.2 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.319 -0.863 . . . . 0.0 111.308 -178.251 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.67 -45.66 82.6 Favored Glycine 0 N--CA 1.484 1.887 0 N-CA-C 109.759 -1.336 . . . . 0.0 109.759 -178.927 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . 0.529 HD11 HG11 ' A' ' 31' ' ' VAL . 72.7 mt -59.3 -40.25 80.91 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.47 0 O-C-N 121.401 -1.058 . . . . 0.0 110.607 -179.572 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -57.0 -45.88 82.68 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.761 -1.212 . . . . 0.0 109.542 -178.99 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -70.41 -40.07 74.09 Favored 'General case' 0 C--N 1.303 -1.451 0 C-N-CA 119.189 -1.004 . . . . 0.0 108.814 179.032 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.16 -37.61 81.19 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.341 -0.849 . . . . 0.0 109.531 179.747 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -56.19 -42.45 77.16 Favored 'General case' 0 C--N 1.302 -1.469 0 C-N-CA 119.306 -0.958 . . . . 0.0 109.556 -179.802 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 79.4 tt0 -60.7 -41.48 95.26 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.985 -1.072 . . . . 0.0 108.734 179.304 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 19.1 tp10 -61.51 -41.0 96.65 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.035 -1.041 . . . . 0.0 108.385 178.92 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 12' ' ' HIS . . . . . 0.534 ' O ' ' N ' ' B' ' 16' ' ' HIS . 14.6 t60 -61.72 -48.81 79.05 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 119.807 -0.757 . . . . 0.0 109.869 179.229 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 31.0 tp10 -59.96 -40.67 89.81 Favored 'General case' 0 C--N 1.297 -1.702 0 O-C-N 121.029 -1.044 . . . . 0.0 109.931 -178.448 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 25.5 mtpp -60.76 -38.14 84.22 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.295 -0.878 . . . . 0.0 112.507 -178.701 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -135.19 -1.89 2.58 Favored 'General case' 0 N--CA 1.507 2.403 0 O-C-N 120.868 -1.145 . . . . 0.0 112.67 -176.641 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.534 ' N ' ' O ' ' B' ' 12' ' ' HIS . 92.8 m-70 54.19 42.83 31.34 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.557 -1.34 . . . . 0.0 107.605 -178.047 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 85.5 p -61.54 155.58 21.74 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.698 -0.626 . . . . 0.0 110.437 -178.781 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 68.8 m-20 -72.45 158.84 34.99 Favored 'General case' 0 N--CA 1.486 1.367 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 179.713 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 27.4 p-90 -57.88 -29.08 64.75 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.195 -0.941 . . . . 0.0 110.056 -179.231 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -62.74 -40.35 96.95 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.104 -0.998 . . . . 0.0 109.994 179.634 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.78 -47.06 64.29 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.29 -0.881 . . . . 0.0 109.773 -179.086 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 79.1 mtm -61.01 -39.71 90.8 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.94 -1.1 . . . . 0.0 109.804 179.793 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.504 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -57.12 -47.34 81.35 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.179 -0.951 . . . . 0.0 109.54 -179.814 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 22.8 t -70.31 -36.99 74.67 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.328 -0.857 . . . . 0.0 110.137 179.75 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 60.0 t0 -60.83 -40.37 92.55 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.338 -0.851 . . . . 0.0 110.453 -179.304 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -111.66 2.68 17.39 Favored 'General case' 0 N--CA 1.504 2.253 0 O-C-N 121.326 -0.859 . . . . 0.0 109.957 179.899 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.504 ' N ' ' O ' ' B' ' 23' ' ' ALA . 84.5 m-20 54.85 49.08 18.61 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.408 -0.807 . . . . 0.0 109.847 179.885 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 74.9 mt -117.67 150.83 47.58 Favored Pre-proline 0 N--CA 1.502 2.156 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 179.805 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -60.07 161.46 19.18 Favored 'Trans proline' 0 N--CA 1.491 1.35 0 C-N-CA 121.65 1.567 . . . . 0.0 110.999 179.69 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_endo -54.77 -34.26 83.96 Favored 'Trans proline' 0 C--N 1.303 -1.824 0 C-N-CA 122.412 2.075 . . . . 0.0 111.535 179.954 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.553 HG11 HD11 ' A' ' 5' ' ' ILE . 89.9 t -53.73 -49.92 54.48 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.741 0 O-C-N 121.289 -0.882 . . . . 0.0 109.789 -178.607 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 87.0 t -67.38 -47.39 81.13 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.986 0 C-N-CA 118.402 -1.319 . . . . 0.0 109.422 -179.188 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.19 -45.55 87.83 Favored 'General case' 0 C--N 1.298 -1.663 0 O-C-N 121.354 -0.841 . . . . 0.0 110.243 179.909 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 17.5 mtmm -61.89 -36.17 80.51 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 120.615 -1.303 . . . . 0.0 110.497 -179.458 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -59.63 -39.2 83.54 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.566 -1.334 . . . . 0.0 109.595 -179.517 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 21.6 mt -59.54 -39.76 80.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 120.807 -1.183 . . . . 0.0 107.855 179.674 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 87.9 t -63.79 -39.99 87.4 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.503 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 179.272 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . 0.525 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -61.96 -31.13 71.44 Favored 'General case' 0 C--N 1.299 -1.609 0 N-CA-C 108.62 -0.882 . . . . 0.0 108.62 179.177 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 7.4 m -78.44 -27.21 46.44 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.234 -0.916 . . . . 0.0 109.272 179.959 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 38.2 t -83.0 102.96 12.09 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.044 -1.035 . . . . 0.0 109.425 -179.937 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -60.55 -28.51 68.49 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.26 -0.9 . . . . 0.0 110.619 -179.787 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 48.3 mtpt -71.49 -41.58 69.13 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.114 -0.992 . . . . 0.0 110.802 -178.86 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 83.7 m -85.75 -23.72 27.18 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.912 -1.118 . . . . 0.0 109.867 -179.955 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . 0.525 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 6.8 tt0 . . . . . 0 N--CA 1.488 1.449 0 O-C-N 121.281 -0.887 . . . . 0.0 110.556 -178.703 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . 0.421 ' O ' HD12 ' A' ' 5' ' ' ILE . 71.9 m-85 . . . . . 0 N--CA 1.492 1.636 0 CA-C-O 121.287 0.565 . . . . 0.0 110.437 . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 45.6 mt -70.61 -32.63 70.05 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.295 -0.878 . . . . 0.0 111.21 -177.763 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -63.75 -51.59 64.19 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.042 -1.036 . . . . 0.0 110.578 -178.196 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.44 -43.02 93.42 Favored Glycine 0 N--CA 1.488 2.118 0 N-CA-C 109.553 -1.419 . . . . 0.0 109.553 -179.897 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.421 HD12 ' O ' ' A' ' 1' ' ' PHE . 80.3 mt -59.66 -39.98 81.02 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 O-C-N 121.413 -1.051 . . . . 0.0 110.306 -179.039 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -56.24 -46.0 79.78 Favored 'General case' 0 N--CA 1.49 1.568 0 C-N-CA 119.129 -1.028 . . . . 0.0 108.917 -179.318 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 60.0 mttp -70.0 -39.79 75.68 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 120.848 -1.158 . . . . 0.0 109.28 179.158 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.28 -38.41 81.67 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.588 -0.695 . . . . 0.0 109.489 -179.808 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -58.29 -39.97 80.71 Favored 'General case' 0 N--CA 1.485 1.285 0 O-C-N 121.237 -0.914 . . . . 0.0 109.835 -178.991 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 77.8 tt0 -63.13 -41.08 99.24 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.092 -1.005 . . . . 0.0 109.907 179.772 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.501 ' CD ' ' HG ' ' A' ' 17' ' ' SER . 14.3 tm-20 -60.9 -43.93 97.84 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.236 -0.915 . . . . 0.0 109.259 179.48 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.509 ' O ' ' N ' ' A' ' 16' ' ' HIS . 14.7 t60 -61.03 -42.63 98.83 Favored 'General case' 0 C--N 1.301 -1.508 0 C-N-CA 119.493 -0.883 . . . . 0.0 110.222 -179.729 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.4 tp10 -61.08 -42.77 99.13 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 120.574 -1.329 . . . . 0.0 110.574 -179.385 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -63.54 -38.94 93.04 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.816 -0.553 . . . . 0.0 112.356 -178.7 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 33.2 m-85 -131.63 -0.92 3.89 Favored 'General case' 0 N--CA 1.508 2.436 0 O-C-N 120.897 -1.127 . . . . 0.0 113.269 -176.629 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.509 ' N ' ' O ' ' A' ' 12' ' ' HIS . 92.7 m-70 52.09 41.78 30.15 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 120.177 -1.577 . . . . 0.0 107.219 -178.659 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.501 ' HG ' ' CD ' ' A' ' 11' ' ' GLU . 6.7 p -62.52 150.32 40.59 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.465 -0.772 . . . . 0.0 109.819 -178.449 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 28.1 m120 -68.81 152.96 44.63 Favored 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 108.164 -1.051 . . . . 0.0 108.164 179.746 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 46.4 p-90 -55.01 -30.14 58.85 Favored 'General case' 0 C--N 1.299 -1.616 0 C-N-CA 119.633 -0.827 . . . . 0.0 109.268 -178.591 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -62.77 -43.76 97.95 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 120.777 -1.202 . . . . 0.0 110.249 179.81 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.33 -44.92 70.67 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.623 -1.298 . . . . 0.0 108.94 179.734 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 21.8 mtp -61.71 -44.36 97.08 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.527 -0.733 . . . . 0.0 110.19 -179.879 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.51 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -58.26 -44.61 88.43 Favored 'General case' 0 C--N 1.296 -1.731 0 C-N-CA 118.996 -1.081 . . . . 0.0 109.04 179.457 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 51.0 m -68.97 -34.9 76.07 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.22 -0.925 . . . . 0.0 109.563 179.913 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -61.44 -41.35 97.05 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.33 -0.856 . . . . 0.0 110.092 -179.834 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -110.03 4.08 20.98 Favored 'General case' 0 N--CA 1.505 2.304 0 O-C-N 121.614 -0.679 . . . . 0.0 110.835 -179.689 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.51 ' N ' ' O ' ' A' ' 23' ' ' ALA . 70.0 m-20 53.82 46.81 24.99 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.372 -0.83 . . . . 0.0 110.779 179.312 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 79.1 mt -113.29 152.7 45.39 Favored Pre-proline 0 N--CA 1.512 2.66 0 O-C-N 121.352 -0.842 . . . . 0.0 108.841 -179.82 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_endo -62.01 161.3 26.51 Favored 'Trans proline' 0 N--CA 1.493 1.448 0 C-N-CA 121.622 1.548 . . . . 0.0 110.713 179.897 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo -55.84 -35.54 93.96 Favored 'Trans proline' 0 C--N 1.301 -1.959 0 C-N-CA 122.413 2.075 . . . . 0.0 111.742 -178.937 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 73.7 t -57.28 -49.57 79.52 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.717 0 O-C-N 120.782 -1.199 . . . . 0.0 110.571 -178.666 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 61.9 t -65.61 -48.27 83.24 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.736 0 O-C-N 120.394 -1.441 . . . . 0.0 109.083 -178.889 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.43 -44.27 83.38 Favored 'General case' 0 N--CA 1.494 1.733 0 C-N-CA 119.515 -0.874 . . . . 0.0 110.868 179.891 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 50.8 mtpt -63.12 -35.31 79.85 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.99 -1.069 . . . . 0.0 110.24 -179.598 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.3 tm-20 -61.54 -39.71 92.05 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 120.902 -1.124 . . . . 0.0 109.733 -178.857 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 92.8 mt -60.13 -38.91 78.88 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.43 0 O-C-N 120.921 -1.112 . . . . 0.0 108.323 179.77 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 64.2 t -63.58 -40.64 89.79 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 179.287 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.01 -30.22 69.01 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.406 -0.809 . . . . 0.0 108.964 179.64 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.6 m -78.34 -25.82 46.56 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.912 -1.118 . . . . 0.0 109.031 -179.968 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 41.9 t -81.06 101.36 9.54 Favored 'General case' 0 N--CA 1.491 1.582 0 N-CA-C 108.404 -0.962 . . . . 0.0 108.404 178.794 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -59.54 -31.12 69.12 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.337 -0.852 . . . . 0.0 111.222 -179.416 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -69.4 -40.32 77.41 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.127 -0.983 . . . . 0.0 111.133 -178.007 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 56.9 m -81.17 -24.88 37.24 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.974 -1.079 . . . . 0.0 109.726 179.904 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 54.6 tt0 . . . . . 0 N--CA 1.49 1.548 0 O-C-N 120.922 -1.111 . . . . 0.0 109.299 -179.269 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . 0.426 ' O ' HD12 ' B' ' 5' ' ' ILE . 81.2 m-85 . . . . . 0 N--CA 1.488 1.429 0 CA-C-O 121.185 0.517 . . . . 0.0 110.325 . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 40.7 mt -69.01 -35.39 76.61 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.057 -1.027 . . . . 0.0 111.176 -177.685 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 54.9 t0 -60.38 -52.47 65.12 Favored 'General case' 0 N--CA 1.502 2.143 0 O-C-N 120.581 -1.324 . . . . 0.0 110.658 -178.882 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.28 -43.45 95.21 Favored Glycine 0 N--CA 1.493 2.471 0 N-CA-C 109.431 -1.468 . . . . 0.0 109.431 -179.814 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . 0.426 HD12 ' O ' ' B' ' 1' ' ' PHE . 76.3 mt -59.69 -38.96 78.29 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.427 0 O-C-N 121.562 -0.963 . . . . 0.0 111.003 -179.45 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -58.06 -45.27 87.37 Favored 'General case' 0 C--N 1.299 -1.603 0 C-N-CA 118.475 -1.29 . . . . 0.0 108.829 -178.399 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 58.3 mttp -70.17 -39.67 75.16 Favored 'General case' 0 N--CA 1.487 1.406 0 C-N-CA 118.977 -1.089 . . . . 0.0 109.214 179.617 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.53 -40.55 85.08 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.356 -0.84 . . . . 0.0 109.402 179.904 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 57.9 tt0 -55.87 -40.83 73.49 Favored 'General case' 0 C--N 1.303 -1.423 0 C-N-CA 119.326 -0.949 . . . . 0.0 110.011 -178.513 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -62.4 -41.13 98.42 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.084 -1.01 . . . . 0.0 109.448 -179.91 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . 0.401 ' OE1' ' OG ' ' B' ' 17' ' ' SER . 13.7 tm-20 -61.17 -42.96 99.49 Favored 'General case' 0 C--N 1.305 -1.353 0 C-N-CA 119.59 -0.844 . . . . 0.0 109.127 179.155 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 12' ' ' HIS . . . . . 0.563 ' O ' ' N ' ' B' ' 16' ' ' HIS . 15.0 t60 -61.85 -44.7 96.3 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.137 -0.977 . . . . 0.0 110.134 -179.404 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 40.7 tp10 -60.31 -43.1 96.63 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.861 -1.15 . . . . 0.0 110.672 -179.503 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 49.4 mtmt -63.09 -36.3 83.13 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.16 -0.963 . . . . 0.0 112.458 -178.885 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 44.9 m-85 -133.96 -1.05 3.03 Favored 'General case' 0 N--CA 1.508 2.457 0 O-C-N 120.887 -1.133 . . . . 0.0 112.687 -176.618 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.563 ' N ' ' O ' ' B' ' 12' ' ' HIS . 92.4 m-70 52.03 42.01 30.15 Favored 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 107.351 -1.352 . . . . 0.0 107.351 -178.358 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . 0.401 ' OG ' ' OE1' ' B' ' 11' ' ' GLU . 11.8 p -61.87 151.94 33.16 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.873 -0.517 . . . . 0.0 110.215 -178.405 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 28.3 m120 -70.71 150.7 45.67 Favored 'General case' 0 C--N 1.306 -1.29 0 C-N-CA 119.408 -0.917 . . . . 0.0 108.698 179.406 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 43.7 p-90 -52.23 -30.03 25.56 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.545 -0.722 . . . . 0.0 109.616 -179.504 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -62.99 -43.94 97.41 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 120.776 -1.202 . . . . 0.0 110.198 179.848 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.51 -44.64 70.63 Favored 'General case' 0 C--N 1.298 -1.663 0 O-C-N 120.917 -1.114 . . . . 0.0 108.878 -179.835 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 26.7 mtp -61.15 -43.56 98.68 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.671 -0.643 . . . . 0.0 109.937 179.985 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.508 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -59.47 -43.46 93.24 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.003 -1.061 . . . . 0.0 109.269 179.603 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 45.6 m -70.16 -36.54 74.79 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.257 -0.902 . . . . 0.0 109.793 179.441 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 67.9 t0 -60.35 -41.64 94.07 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.482 -0.761 . . . . 0.0 110.0 -179.866 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -109.97 4.42 21.4 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.613 -0.679 . . . . 0.0 110.72 -179.773 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.508 ' N ' ' O ' ' B' ' 23' ' ' ALA . 75.6 m-20 52.89 47.0 25.63 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.109 -0.995 . . . . 0.0 110.263 179.307 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 82.2 mt -113.21 151.88 44.64 Favored Pre-proline 0 N--CA 1.506 2.33 0 O-C-N 121.166 -0.959 . . . . 0.0 108.93 179.806 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_endo -59.88 161.7 17.97 Favored 'Trans proline' 0 N--CA 1.495 1.593 0 C-N-CA 121.766 1.644 . . . . 0.0 110.633 179.799 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_endo -56.41 -37.95 96.16 Favored 'Trans proline' 0 C--N 1.301 -1.95 0 C-N-CA 122.413 2.076 . . . . 0.0 111.586 -179.338 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 96.8 t -55.53 -48.9 76.78 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.102 -0.999 . . . . 0.0 110.765 -178.565 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 78.4 t -66.84 -45.8 86.8 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.67 0 C-N-CA 117.804 -1.558 . . . . 0.0 108.933 -178.743 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.73 -45.75 70.71 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.075 -1.015 . . . . 0.0 110.451 179.709 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 52.1 mtpt -61.36 -33.95 74.49 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.149 -0.97 . . . . 0.0 110.641 -179.957 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . 0.417 ' OE1' ' C ' ' B' ' 35' ' ' GLU . 12.8 tm-20 -62.64 -39.73 94.78 Favored 'General case' 0 C--N 1.3 -1.558 0 C-N-CA 118.834 -1.146 . . . . 0.0 109.446 -179.149 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 86.3 mt -59.64 -38.58 76.34 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.539 0 O-C-N 121.055 -1.028 . . . . 0.0 108.433 179.554 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 58.2 t -63.89 -39.91 87.16 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 121.308 -0.87 . . . . 0.0 108.719 179.301 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . 0.504 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -61.18 -30.28 70.32 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.389 -0.819 . . . . 0.0 109.125 179.157 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 48.9 m -77.75 -24.82 48.93 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.314 -0.866 . . . . 0.0 108.955 179.933 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 41.7 t -82.15 100.98 10.14 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.103 -0.998 . . . . 0.0 108.527 178.965 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -60.39 -30.25 69.47 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.789 -1.194 . . . . 0.0 110.737 -179.311 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -69.95 -39.89 75.76 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 120.859 -1.151 . . . . 0.0 111.058 -178.839 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 58.2 m -82.74 -23.84 33.81 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.783 -1.198 . . . . 0.0 109.907 -179.898 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . 0.504 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 8.5 tt0 . . . . . 0 N--CA 1.492 1.642 0 O-C-N 121.16 -0.963 . . . . 0.0 109.51 -179.898 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 . . . . . 0 N--CA 1.489 1.489 0 CA-C-O 121.151 0.5 . . . . 0.0 109.796 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 20.3 mt -75.39 -42.08 54.72 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.431 -0.793 . . . . 0.0 111.06 -178.756 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -65.1 -49.42 70.06 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.287 -0.883 . . . . 0.0 111.097 -178.175 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.59 -47.48 86.57 Favored Glycine 0 N--CA 1.494 2.528 0 N-CA-C 110.18 -1.168 . . . . 0.0 110.18 -179.085 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.552 HD11 HG11 ' B' ' 31' ' ' VAL . 96.5 mt -59.79 -40.38 82.42 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.504 0 O-C-N 121.309 -1.113 . . . . 0.0 110.584 -179.878 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -51.95 -42.1 62.59 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 120.841 -1.162 . . . . 0.0 109.04 -179.377 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 48.0 mttm -70.65 -46.6 62.95 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.199 -0.938 . . . . 0.0 109.831 178.349 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.42 -34.31 77.99 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.683 -0.635 . . . . 0.0 109.673 179.921 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -59.06 -39.85 83.36 Favored 'General case' 0 C--N 1.306 -1.285 0 C-N-CA 119.445 -0.902 . . . . 0.0 108.807 -179.351 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 37.0 tp10 -62.34 -40.65 97.06 Favored 'General case' 0 N--CA 1.486 1.355 0 O-C-N 120.921 -1.112 . . . . 0.0 108.752 179.248 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -60.82 -39.9 90.71 Favored 'General case' 0 N--CA 1.486 1.328 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 179.705 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.562 ' O ' ' N ' ' A' ' 16' ' ' HIS . 17.3 t60 -61.55 -45.44 94.15 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 119.458 -0.897 . . . . 0.0 109.898 179.705 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -60.66 -43.51 97.57 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.127 -0.983 . . . . 0.0 110.239 -179.178 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 46.4 mtmt -60.73 -33.82 73.48 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 112.955 0.724 . . . . 0.0 112.955 -178.52 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -136.78 -5.68 1.94 Allowed 'General case' 0 N--CA 1.506 2.375 0 O-C-N 121.018 -1.051 . . . . 0.0 112.463 -177.096 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.562 ' N ' ' O ' ' A' ' 12' ' ' HIS . 89.9 m-70 54.73 42.43 31.21 Favored 'General case' 0 N--CA 1.496 1.869 0 N-CA-C 107.558 -1.275 . . . . 0.0 107.558 -177.621 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 91.3 p -65.87 154.8 38.23 Favored 'General case' 0 C--N 1.303 -1.44 0 CA-C-O 121.567 0.699 . . . . 0.0 110.697 -178.518 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -70.91 159.98 33.68 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.493 -0.755 . . . . 0.0 109.337 179.413 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 51.0 p-90 -57.29 -30.32 64.62 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.054 -1.029 . . . . 0.0 110.332 -179.779 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 83.4 mtm180 -62.69 -41.72 99.25 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.108 -0.995 . . . . 0.0 110.51 -179.818 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.13 -47.87 66.95 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.988 -1.07 . . . . 0.0 109.513 -179.371 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 78.1 mtm -60.83 -40.34 92.42 Favored 'General case' 0 C--N 1.301 -1.505 0 C-N-CA 119.546 -0.861 . . . . 0.0 109.662 179.548 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.49 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -57.81 -46.01 85.3 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.224 -0.923 . . . . 0.0 109.328 -179.672 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 28.9 t -69.99 -38.76 76.11 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.066 -1.021 . . . . 0.0 109.929 179.546 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 -59.89 -40.48 88.87 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.236 -0.915 . . . . 0.0 110.652 -178.861 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -109.11 0.31 19.77 Favored 'General case' 0 N--CA 1.502 2.128 0 O-C-N 121.492 -0.755 . . . . 0.0 110.007 -179.688 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.49 ' N ' ' O ' ' A' ' 23' ' ' ALA . 19.4 m120 54.82 47.13 23.05 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.457 -0.777 . . . . 0.0 109.369 179.765 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 40.9 mt -111.1 152.37 43.67 Favored Pre-proline 0 N--CA 1.5 2.04 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 179.747 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -60.33 160.87 21.81 Favored 'Trans proline' 0 C--N 1.312 -1.379 0 C-N-CA 121.615 1.543 . . . . 0.0 110.957 179.634 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -55.01 -34.7 87.95 Favored 'Trans proline' 0 C--N 1.301 -1.963 0 C-N-CA 122.439 2.093 . . . . 0.0 111.905 -179.69 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.629 HG11 HD11 ' B' ' 5' ' ' ILE . 63.5 t -56.61 -48.22 80.91 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.728 0 O-C-N 120.954 -1.091 . . . . 0.0 110.441 -178.713 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 61.8 t -67.77 -46.53 82.29 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.861 0 C-N-CA 118.53 -1.268 . . . . 0.0 109.152 -178.93 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.12 -46.91 75.89 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.393 -0.817 . . . . 0.0 110.037 179.728 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 37.2 mtmt -61.39 -35.32 77.17 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.768 -1.207 . . . . 0.0 110.381 179.731 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.4 tm-20 -60.25 -39.85 88.23 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.118 -0.988 . . . . 0.0 109.826 -178.954 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 45.3 mt -59.84 -39.78 80.9 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.446 0 O-C-N 121.19 -0.944 . . . . 0.0 108.938 -179.659 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 81.6 t -62.35 -38.21 80.62 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 O-C-N 121.026 -1.046 . . . . 0.0 108.724 179.355 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.5 -30.53 69.77 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.428 -0.795 . . . . 0.0 109.364 179.755 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 66.6 m -80.51 -27.58 37.67 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.3 -0.875 . . . . 0.0 110.183 -179.574 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 48.0 t -82.58 102.37 11.37 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 120.94 -1.1 . . . . 0.0 109.152 -179.89 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -60.41 -29.64 69.1 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.509 -0.744 . . . . 0.0 110.193 179.956 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -70.01 -40.64 75.12 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.034 -1.041 . . . . 0.0 110.689 -178.392 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 91.1 m -87.53 -23.37 24.4 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.001 -1.062 . . . . 0.0 109.916 179.827 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 . . . . . 0 N--CA 1.493 1.683 0 O-C-N 121.32 -0.863 . . . . 0.0 110.24 -179.54 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 73.6 m-85 . . . . . 0 N--CA 1.485 1.314 0 CA-C-O 121.26 0.552 . . . . 0.0 109.724 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 23.3 mt -73.91 -42.48 60.58 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.256 -0.902 . . . . 0.0 111.075 -178.686 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -65.11 -49.18 70.98 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.009 -1.057 . . . . 0.0 111.153 -178.424 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.96 -48.21 82.47 Favored Glycine 0 N--CA 1.49 2.297 0 N-CA-C 110.244 -1.143 . . . . 0.0 110.244 -179.084 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . 0.629 HD11 HG11 ' A' ' 31' ' ' VAL . 96.3 mt -59.83 -39.96 81.36 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.562 0 O-C-N 121.322 -1.105 . . . . 0.0 110.738 -179.453 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -51.99 -42.28 62.84 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 120.842 -1.161 . . . . 0.0 108.725 -178.803 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 47.2 mttm -70.42 -46.3 64.21 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.216 -0.927 . . . . 0.0 109.609 178.672 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.28 -34.69 78.56 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.518 -0.739 . . . . 0.0 109.605 -179.726 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 59.5 tt0 -58.52 -40.14 82.07 Favored 'General case' 0 C--N 1.3 -1.559 0 C-N-CA 119.416 -0.914 . . . . 0.0 108.843 -179.407 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 37.6 tp10 -62.05 -40.69 96.62 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 119.004 -1.079 . . . . 0.0 108.543 179.079 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -60.83 -39.91 90.79 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 179.528 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 12' ' ' HIS . . . . . 0.577 ' O ' ' N ' ' B' ' 16' ' ' HIS . 17.6 t60 -61.55 -46.18 90.99 Favored 'General case' 0 C--N 1.306 -1.306 0 C-N-CA 119.673 -0.811 . . . . 0.0 109.801 179.437 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -60.28 -43.52 96.16 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.326 -0.859 . . . . 0.0 110.356 -179.155 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 45.0 mtmt -60.46 -35.71 76.52 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.36 -0.838 . . . . 0.0 112.669 -178.63 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -134.66 -5.6 2.51 Favored 'General case' 0 N--CA 1.509 2.483 0 O-C-N 120.722 -1.236 . . . . 0.0 112.737 -177.032 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.577 ' N ' ' O ' ' B' ' 12' ' ' HIS . 89.0 m-70 55.2 41.23 31.66 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 120.593 -1.317 . . . . 0.0 107.519 -177.8 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 96.4 p -64.93 155.29 34.84 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.563 -0.711 . . . . 0.0 110.725 -178.248 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 -71.13 160.53 32.71 Favored 'General case' 0 N--CA 1.491 1.606 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 179.719 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 49.7 p-90 -57.68 -30.11 65.19 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.197 -0.94 . . . . 0.0 110.247 -179.811 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 82.8 mtm180 -63.06 -41.66 99.5 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.902 -1.124 . . . . 0.0 110.555 -179.797 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.0 -47.5 68.33 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.263 -0.898 . . . . 0.0 109.656 -179.449 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 78.7 mtm -61.62 -39.59 91.81 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.186 -0.947 . . . . 0.0 109.614 179.625 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.485 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -57.79 -45.76 85.57 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.287 -0.883 . . . . 0.0 109.159 179.916 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 23.2 t -70.07 -38.79 75.82 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.296 -0.877 . . . . 0.0 109.885 179.918 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -60.33 -41.01 92.64 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.165 -0.96 . . . . 0.0 110.576 -178.917 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -108.14 0.1 21.38 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.367 -0.833 . . . . 0.0 110.017 -179.926 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.485 ' N ' ' O ' ' B' ' 23' ' ' ALA . 18.6 m120 55.13 48.32 19.85 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.237 -0.914 . . . . 0.0 109.291 179.88 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 41.4 mt -112.21 152.47 44.45 Favored Pre-proline 0 N--CA 1.503 2.221 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 179.63 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -60.17 160.94 21.01 Favored 'Trans proline' 0 N--CA 1.49 1.303 0 C-N-CA 121.324 1.349 . . . . 0.0 110.949 179.448 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -55.6 -33.76 87.95 Favored 'Trans proline' 0 C--N 1.304 -1.786 0 C-N-CA 122.508 2.139 . . . . 0.0 112.169 -179.579 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.552 HG11 HD11 ' A' ' 5' ' ' ILE . 62.2 t -56.96 -48.52 81.46 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.762 0 O-C-N 120.821 -1.174 . . . . 0.0 110.211 -179.045 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 60.1 t -67.36 -47.14 82.03 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.874 0 C-N-CA 118.545 -1.262 . . . . 0.0 109.285 -178.776 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.26 -45.62 79.91 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.255 -0.903 . . . . 0.0 110.172 179.943 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 36.1 mtmt -61.77 -36.07 79.99 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.784 -1.198 . . . . 0.0 110.182 179.631 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 14.2 tm-20 -59.85 -39.93 86.83 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.011 -1.056 . . . . 0.0 110.188 -179.028 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 46.4 mt -59.94 -39.99 81.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.525 0 O-C-N 121.003 -1.061 . . . . 0.0 108.765 179.943 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 76.6 t -62.04 -37.93 79.57 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.201 -0.937 . . . . 0.0 108.855 178.943 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . 0.526 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -60.71 -31.83 71.1 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.539 -0.726 . . . . 0.0 109.702 179.694 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 66.1 m -79.58 -26.97 41.17 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.295 -0.878 . . . . 0.0 109.976 -179.437 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 49.7 t -82.73 102.58 11.63 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.754 -1.216 . . . . 0.0 109.413 179.844 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -60.84 -29.68 69.65 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.332 -0.855 . . . . 0.0 110.159 -179.858 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -69.54 -41.22 76.24 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.054 -1.029 . . . . 0.0 110.74 -178.669 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 86.7 m -87.26 -22.7 25.03 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.005 -1.06 . . . . 0.0 109.836 179.858 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . 0.526 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 7.2 tt0 . . . . . 0 N--CA 1.491 1.605 0 O-C-N 121.405 -0.81 . . . . 0.0 109.94 -179.394 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . 0.498 ' O ' HD12 ' A' ' 5' ' ' ILE . 56.7 m-85 . . . . . 0 N--CA 1.49 1.56 0 CA-C-O 121.476 0.655 . . . . 0.0 109.405 . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 21.5 mt -70.03 -39.05 76.01 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.258 -0.901 . . . . 0.0 111.657 -178.187 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -61.3 -50.33 73.41 Favored 'General case' 0 C--N 1.298 -1.653 0 O-C-N 120.886 -1.134 . . . . 0.0 111.595 -177.052 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.26 -44.33 66.38 Favored Glycine 0 N--CA 1.494 2.53 0 N-CA-C 110.038 -1.225 . . . . 0.0 110.038 -179.014 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.498 HD12 ' O ' ' A' ' 1' ' ' PHE . 88.7 mt -59.41 -39.18 78.45 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.642 0 O-C-N 121.889 -0.771 . . . . 0.0 110.189 -179.533 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 85.8 m-20 -56.55 -47.22 79.92 Favored 'General case' 0 C--N 1.3 -1.544 0 C-N-CA 118.315 -1.354 . . . . 0.0 108.478 -179.569 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -68.08 -45.44 73.76 Favored 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 119.375 -0.93 . . . . 0.0 109.113 179.061 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.83 -39.04 93.09 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.229 -0.919 . . . . 0.0 110.175 179.709 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -56.29 -40.62 74.59 Favored 'General case' 0 N--CA 1.485 1.275 0 O-C-N 121.491 -0.756 . . . . 0.0 109.753 -179.527 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 65.7 tt0 -60.12 -40.31 89.26 Favored 'General case' 0 N--CA 1.486 1.326 0 O-C-N 121.088 -1.007 . . . . 0.0 109.158 178.683 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 24.7 tp10 -60.23 -39.86 88.16 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 179.073 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.53 ' O ' ' N ' ' A' ' 16' ' ' HIS . 14.0 t60 -60.97 -48.17 83.07 Favored 'General case' 0 C--N 1.304 -1.397 0 C-N-CA 119.419 -0.912 . . . . 0.0 109.51 179.761 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -59.57 -41.39 90.1 Favored 'General case' 0 C--N 1.297 -1.712 0 O-C-N 121.076 -1.015 . . . . 0.0 110.374 -179.318 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt -60.88 -30.9 70.43 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.971 -1.081 . . . . 0.0 112.799 -179.012 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -140.28 -8.13 1.16 Allowed 'General case' 0 N--CA 1.513 2.721 0 O-C-N 120.66 -1.275 . . . . 0.0 112.869 -176.874 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.53 ' N ' ' O ' ' A' ' 12' ' ' HIS . 90.7 m-70 56.84 41.65 27.68 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 120.543 -1.348 . . . . 0.0 107.794 -177.025 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 88.5 p -61.36 159.06 13.19 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.427 -0.796 . . . . 0.0 110.686 -179.449 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -74.21 160.1 31.62 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.213 -0.929 . . . . 0.0 108.96 179.694 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 37.1 p-90 -57.19 -30.34 64.45 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 120.505 -1.372 . . . . 0.0 110.063 -179.503 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -63.5 -39.8 95.39 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.027 -1.046 . . . . 0.0 110.888 179.977 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.52 -49.82 56.7 Favored 'General case' 0 N--CA 1.486 1.375 0 O-C-N 120.987 -1.071 . . . . 0.0 108.641 -179.853 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 78.3 mtm -59.11 -41.27 87.77 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.172 -0.955 . . . . 0.0 109.329 179.377 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.511 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -58.41 -48.75 79.67 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.949 -1.094 . . . . 0.0 108.737 179.123 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 8.6 t -68.7 -36.82 78.97 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.144 -0.973 . . . . 0.0 110.465 179.767 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -60.28 -40.13 89.33 Favored 'General case' 0 N--CA 1.492 1.648 0 C-N-CA 118.898 -1.121 . . . . 0.0 110.593 -178.895 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -111.9 2.75 17.15 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.366 -0.834 . . . . 0.0 109.921 -179.471 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.511 ' N ' ' O ' ' A' ' 23' ' ' ALA . 86.9 m-20 56.36 45.28 23.11 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.46 -0.775 . . . . 0.0 110.501 179.973 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 48.6 mt -109.28 152.74 42.79 Favored Pre-proline 0 N--CA 1.503 2.209 0 O-C-N 121.354 -0.842 . . . . 0.0 108.996 179.695 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_endo -61.59 145.9 97.33 Favored 'Trans proline' 0 N--CA 1.496 1.621 0 C-N-CA 122.116 1.877 . . . . 0.0 111.462 179.739 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_exo -39.7 -38.19 1.66 Allowed 'Trans proline' 0 C--N 1.314 -1.261 0 C-N-CA 122.086 1.858 . . . . 0.0 112.82 -179.944 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 90.6 t -54.51 -49.32 66.92 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.899 0 O-C-N 120.822 -1.174 . . . . 0.0 110.734 -178.199 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.492 HG13 HD11 ' A' ' 5' ' ' ILE . 57.3 t -65.95 -46.22 88.93 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.08 0 C-N-CA 118.01 -1.476 . . . . 0.0 109.629 -178.978 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.45 -45.03 77.2 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.351 -0.843 . . . . 0.0 110.124 -179.758 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 43.7 mtmt -61.45 -36.44 80.41 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 120.646 -1.284 . . . . 0.0 110.331 179.834 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.4 tm-20 -60.1 -39.6 86.71 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 120.842 -1.161 . . . . 0.0 109.907 -179.459 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 90.0 mt -59.9 -39.73 80.86 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.295 0 O-C-N 120.595 -1.316 . . . . 0.0 109.336 179.644 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 78.6 t -61.52 -40.36 86.18 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 O-C-N 121.1 -1.0 . . . . 0.0 108.884 179.078 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.22 -35.87 74.4 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.988 -1.07 . . . . 0.0 109.742 -179.845 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 40.7 m -73.88 -27.08 60.88 Favored 'General case' 0 C--N 1.297 -1.701 0 C-N-CA 119.755 -0.778 . . . . 0.0 109.188 179.595 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 41.6 t -84.62 106.23 16.02 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.131 -0.981 . . . . 0.0 109.665 179.97 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 59.1 m-20 -62.1 -30.81 71.27 Favored 'General case' 0 N--CA 1.504 2.255 0 O-C-N 121.347 -0.846 . . . . 0.0 111.091 -179.403 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 65.6 mttp -69.88 -38.9 76.53 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 120.688 -1.257 . . . . 0.0 110.412 -178.942 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 88.5 m -89.27 -16.38 31.31 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.991 -1.068 . . . . 0.0 109.494 179.617 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 . . . . . 0 N--CA 1.497 1.893 0 O-C-N 120.714 -1.241 . . . . 0.0 109.358 179.835 . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . 0.443 ' O ' HD12 ' B' ' 5' ' ' ILE . 53.2 m-85 . . . . . 0 N--CA 1.493 1.693 0 CA-C-O 121.765 0.793 . . . . 0.0 109.255 . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 24.6 mt -70.05 -36.96 75.4 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.098 -1.001 . . . . 0.0 112.096 -178.274 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -64.29 -49.14 72.98 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.606 -1.309 . . . . 0.0 110.959 -178.098 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.09 -46.29 59.13 Favored Glycine 0 N--CA 1.493 2.441 0 O-C-N 120.544 -1.348 . . . . 0.0 109.927 -179.374 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . 0.458 HD11 HG13 ' B' ' 32' ' ' VAL . 97.0 mt -58.12 -39.45 72.93 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.499 0 O-C-N 121.471 -1.017 . . . . 0.0 110.468 -178.995 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -56.55 -46.7 80.56 Favored 'General case' 0 C--N 1.301 -1.517 0 C-N-CA 118.87 -1.132 . . . . 0.0 108.139 179.861 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 34.5 ttmt -69.41 -42.08 75.52 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.144 -0.972 . . . . 0.0 109.778 178.584 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.14 -36.03 82.05 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.684 -0.635 . . . . 0.0 109.734 179.555 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 -58.59 -40.4 83.09 Favored 'General case' 0 C--N 1.3 -1.544 0 C-N-CA 119.661 -0.816 . . . . 0.0 109.683 -179.597 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 73.1 tt0 -61.22 -39.96 92.23 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.582 -1.324 . . . . 0.0 109.034 179.027 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 27.1 tp10 -60.13 -39.43 86.22 Favored 'General case' 0 N--CA 1.494 1.76 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 179.184 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 12' ' ' HIS . . . . . 0.54 ' O ' ' N ' ' B' ' 16' ' ' HIS . 12.7 t60 -61.64 -46.32 90.29 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.353 -0.842 . . . . 0.0 109.702 179.43 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.51 -42.93 97.38 Favored 'General case' 0 C--N 1.298 -1.632 0 O-C-N 120.763 -1.21 . . . . 0.0 110.48 -179.98 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -60.44 -30.81 69.88 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.144 -0.973 . . . . 0.0 112.528 -179.023 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -140.44 -7.43 1.15 Allowed 'General case' 0 N--CA 1.511 2.582 0 O-C-N 120.292 -1.505 . . . . 0.0 112.904 -176.878 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.54 ' N ' ' O ' ' B' ' 12' ' ' HIS . 89.8 m-70 55.12 41.7 31.4 Favored 'General case' 0 N--CA 1.495 1.824 0 N-CA-C 107.335 -1.357 . . . . 0.0 107.335 -177.344 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 97.8 p -62.0 159.44 14.3 Favored 'General case' 0 C--N 1.309 -1.157 0 O-C-N 121.32 -0.862 . . . . 0.0 110.416 -178.67 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -74.11 160.5 31.14 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.119 -0.988 . . . . 0.0 109.128 179.724 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 35.7 p-90 -56.81 -30.5 63.79 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.943 -1.098 . . . . 0.0 110.242 -179.634 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -62.57 -40.33 96.5 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.723 -1.236 . . . . 0.0 110.433 179.867 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.51 -48.01 65.5 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 120.969 -1.082 . . . . 0.0 109.21 -179.845 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 78.7 mtm -61.37 -41.01 96.4 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.18 -0.95 . . . . 0.0 109.72 179.586 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -58.58 -47.21 85.05 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.387 -0.82 . . . . 0.0 109.086 179.363 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 16.1 t -70.67 -36.06 73.16 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.322 -0.861 . . . . 0.0 110.122 179.998 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 85.6 m-20 -60.6 -37.69 82.22 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.213 -0.93 . . . . 0.0 110.152 -178.362 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -114.82 3.5 14.65 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.548 -0.72 . . . . 0.0 110.036 -179.707 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.462 ' N ' ' O ' ' B' ' 23' ' ' ALA . 87.4 m-20 54.64 45.34 27.03 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.437 -0.789 . . . . 0.0 110.201 -179.623 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 69.2 mt -108.84 152.67 42.45 Favored Pre-proline 0 N--CA 1.506 2.346 0 O-C-N 121.396 -0.815 . . . . 0.0 109.12 179.535 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -62.09 147.73 94.53 Favored 'Trans proline' 0 N--CA 1.494 1.557 0 C-N-CA 121.778 1.652 . . . . 0.0 111.256 -179.946 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_exo -41.71 -38.02 4.18 Favored 'Trans proline' 0 C--N 1.312 -1.354 0 C-N-CA 122.57 2.18 . . . . 0.0 112.62 -179.847 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 84.3 t -54.73 -47.31 73.85 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.809 0 O-C-N 121.353 -0.842 . . . . 0.0 111.04 -178.045 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . 0.458 HG13 HD11 ' B' ' 5' ' ' ILE . 60.5 t -67.21 -48.27 78.94 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.077 0 C-N-CA 118.389 -1.325 . . . . 0.0 109.136 -179.439 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.4 -45.65 83.13 Favored 'General case' 0 N--CA 1.493 1.678 0 C-N-CA 120.24 -0.584 . . . . 0.0 110.314 179.867 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 44.0 mtmt -61.81 -35.04 77.03 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 120.854 -1.154 . . . . 0.0 110.031 -179.91 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 14.7 tm-20 -61.23 -38.0 85.06 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 120.915 -1.116 . . . . 0.0 110.571 -178.84 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 89.6 mt -61.35 -39.5 82.96 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.441 0 O-C-N 120.828 -1.17 . . . . 0.0 108.24 -179.408 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 72.5 t -61.34 -38.98 81.15 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.611 0 O-C-N 121.295 -0.878 . . . . 0.0 109.542 178.754 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . 0.5 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -59.52 -36.72 76.65 Favored 'General case' 0 C--N 1.297 -1.677 0 O-C-N 121.216 -0.928 . . . . 0.0 109.172 -179.988 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 39.4 m -72.1 -28.85 63.57 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.467 -0.77 . . . . 0.0 110.122 179.851 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 37.6 t -84.42 104.69 14.65 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.159 -0.963 . . . . 0.0 109.739 -179.734 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -60.34 -30.71 69.7 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.308 -0.87 . . . . 0.0 111.403 -179.68 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 65.0 mttp -68.56 -40.78 80.48 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.007 -1.058 . . . . 0.0 110.835 -178.883 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 90.0 m -88.19 -14.91 37.39 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.973 -1.08 . . . . 0.0 110.154 179.671 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . 0.5 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 25.5 tt0 . . . . . 0 N--CA 1.493 1.676 0 O-C-N 120.936 -1.102 . . . . 0.0 108.913 -179.739 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 . . . . . 0 N--CA 1.493 1.701 0 CA-C-O 121.57 0.7 . . . . 0.0 109.534 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 25.2 mt -73.37 -22.44 60.27 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.551 -0.718 . . . . 0.0 111.829 -178.113 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 85.8 m-20 -63.35 -59.29 4.89 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.515 -1.366 . . . . 0.0 111.307 -178.553 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.43 -41.31 96.48 Favored Glycine 0 N--CA 1.492 2.427 0 C-N-CA 119.717 -1.23 . . . . 0.0 110.063 -179.375 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.463 ' O ' ' N ' ' A' ' 9' ' ' GLN . 96.4 mt -59.7 -40.42 82.32 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.525 0 O-C-N 121.327 -1.102 . . . . 0.0 110.506 -179.292 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 47.0 t0 -56.48 -44.77 80.96 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 120.935 -1.103 . . . . 0.0 108.582 -179.915 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -70.09 -43.19 71.6 Favored 'General case' 0 N--CA 1.49 1.55 0 C-N-CA 119.162 -1.015 . . . . 0.0 108.948 178.497 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.69 -35.01 79.53 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.035 -1.041 . . . . 0.0 109.564 179.582 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.463 ' N ' ' O ' ' A' ' 5' ' ' ILE . 54.2 tt0 -58.57 -40.0 81.85 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.213 -0.93 . . . . 0.0 109.397 -179.216 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -60.55 -40.33 91.17 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 119.198 -1.001 . . . . 0.0 108.812 179.181 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 21.2 tp10 -60.02 -40.34 88.95 Favored 'General case' 0 N--CA 1.486 1.364 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 179.449 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.536 ' O ' ' N ' ' A' ' 16' ' ' HIS . 17.2 t60 -60.24 -45.66 92.46 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 121.081 -1.012 . . . . 0.0 109.757 179.359 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -61.02 -42.37 98.34 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.272 -0.893 . . . . 0.0 110.332 -179.167 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -62.0 -30.07 70.7 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.39 -0.818 . . . . 0.0 112.644 -178.378 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -140.24 -7.06 1.19 Allowed 'General case' 0 N--CA 1.508 2.444 0 O-C-N 120.651 -1.281 . . . . 0.0 112.475 -177.028 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.536 ' N ' ' O ' ' A' ' 12' ' ' HIS . 84.1 m-70 54.54 39.8 31.39 Favored 'General case' 0 N--CA 1.493 1.714 0 N-CA-C 107.505 -1.295 . . . . 0.0 107.505 -177.217 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 86.0 p -65.24 157.86 27.78 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.462 -0.774 . . . . 0.0 110.648 -178.538 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -71.93 160.03 33.24 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.582 -0.699 . . . . 0.0 109.482 179.802 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 50.9 p-90 -58.87 -29.57 67.09 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.281 -0.887 . . . . 0.0 110.017 -179.647 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 61.2 mtp180 -62.73 -39.86 95.39 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.03 -1.043 . . . . 0.0 109.847 179.559 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.82 -49.41 52.86 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.128 -0.982 . . . . 0.0 109.254 179.932 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 77.7 mtm -61.35 -39.89 92.26 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.227 -0.921 . . . . 0.0 109.573 179.785 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.92 -49.26 77.37 Favored 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 119.347 -0.941 . . . . 0.0 109.443 179.872 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 16.5 m -70.73 -34.83 72.3 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.317 -0.864 . . . . 0.0 109.918 179.952 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 56.9 t0 -60.34 -44.76 95.23 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.178 -0.951 . . . . 0.0 110.831 -178.965 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -105.98 0.43 25.71 Favored 'General case' 0 N--CA 1.503 2.203 0 O-C-N 121.17 -0.956 . . . . 0.0 109.623 179.877 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 51.8 t30 59.75 49.31 8.24 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.433 -0.792 . . . . 0.0 109.958 179.588 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 51.9 mt -113.61 152.36 45.36 Favored Pre-proline 0 N--CA 1.5 2.029 0 O-C-N 121.145 -0.972 . . . . 0.0 108.688 179.755 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_endo -60.81 163.28 16.37 Favored 'Trans proline' 0 N--CA 1.492 1.406 0 C-N-CA 121.752 1.635 . . . . 0.0 110.954 179.245 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -56.5 -37.11 97.97 Favored 'Trans proline' 0 C--N 1.302 -1.881 0 C-N-CA 122.45 2.1 . . . . 0.0 112.909 -179.464 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 91.2 t -57.59 -45.65 86.31 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.037 -1.039 . . . . 0.0 110.232 -178.839 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 44.9 t -68.36 -48.57 72.41 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.782 0 C-N-CA 118.492 -1.283 . . . . 0.0 109.018 -179.48 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.68 -47.98 73.62 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.336 -0.853 . . . . 0.0 110.319 179.964 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -60.99 -34.17 74.37 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.111 -0.993 . . . . 0.0 110.141 -179.879 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.441 ' CG ' HG13 ' B' ' 31' ' ' VAL . 14.9 tm-20 -62.13 -38.34 88.58 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 120.861 -1.15 . . . . 0.0 110.065 -179.766 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 83.3 mt -59.64 -40.11 81.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 120.9 -1.125 . . . . 0.0 108.803 -179.683 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 88.9 t -62.88 -39.89 86.73 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.082 -1.011 . . . . 0.0 108.645 179.598 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.23 -31.07 69.83 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.564 -0.71 . . . . 0.0 109.279 179.573 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.1 m -76.87 -30.08 56.09 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 121.36 -0.837 . . . . 0.0 109.325 -179.814 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 46.3 t -81.9 101.95 10.56 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.288 -0.883 . . . . 0.0 109.242 179.968 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -60.08 -29.79 68.8 Favored 'General case' 0 C--N 1.297 -1.683 0 O-C-N 121.465 -0.772 . . . . 0.0 109.879 179.644 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -70.56 -43.87 68.6 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.03 -1.044 . . . . 0.0 111.204 -179.215 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 90.8 m -82.59 -22.97 34.62 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 120.722 -1.236 . . . . 0.0 109.71 -179.889 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 . . . . . 0 C--N 1.301 -1.523 0 O-C-N 121.241 -0.912 . . . . 0.0 108.835 -179.746 . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 . . . . . 0 N--CA 1.493 1.698 0 CA-C-O 121.431 0.634 . . . . 0.0 109.771 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 27.1 mt -73.61 -20.87 60.48 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.536 -0.728 . . . . 0.0 111.943 -178.105 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -64.92 -59.0 4.67 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 120.349 -1.469 . . . . 0.0 111.01 -178.292 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.52 -40.51 96.18 Favored Glycine 0 N--CA 1.495 2.567 0 C-N-CA 119.688 -1.244 . . . . 0.0 110.236 -179.483 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . 0.453 ' O ' ' N ' ' B' ' 9' ' ' GLN . 96.5 mt -60.33 -40.7 84.71 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.18 -1.188 . . . . 0.0 110.497 -179.241 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -56.3 -45.05 80.39 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 120.98 -1.075 . . . . 0.0 108.658 179.99 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -69.95 -42.9 72.6 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.025 -1.047 . . . . 0.0 108.864 178.805 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.3 -35.63 80.88 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.4 -0.812 . . . . 0.0 109.765 179.695 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . 0.453 ' N ' ' O ' ' B' ' 5' ' ' ILE . 57.7 tt0 -57.58 -40.5 79.15 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 119.588 -0.845 . . . . 0.0 109.072 -179.391 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -60.28 -40.38 90.2 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 119.054 -1.058 . . . . 0.0 108.71 179.265 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 20.9 tp10 -59.87 -40.41 88.56 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 119.423 -0.911 . . . . 0.0 108.566 179.582 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 12' ' ' HIS . . . . . 0.546 ' O ' ' N ' ' B' ' 16' ' ' HIS . 19.0 t60 -60.37 -45.16 94.51 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.152 -0.968 . . . . 0.0 109.877 179.453 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -60.83 -42.34 97.54 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.394 -0.816 . . . . 0.0 110.327 -179.376 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 57.1 mtpt -62.79 -30.09 71.2 Favored 'General case' 0 C--N 1.298 -1.672 0 N-CA-C 112.863 0.69 . . . . 0.0 112.863 -178.118 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -139.91 -6.06 1.29 Allowed 'General case' 0 N--CA 1.506 2.372 0 O-C-N 120.603 -1.311 . . . . 0.0 112.293 -177.05 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.546 ' N ' ' O ' ' B' ' 12' ' ' HIS . 82.7 m-70 53.17 39.93 30.44 Favored 'General case' 0 N--CA 1.493 1.708 0 N-CA-C 107.317 -1.364 . . . . 0.0 107.317 -177.34 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 97.0 p -65.23 158.41 26.26 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.424 -0.797 . . . . 0.0 110.712 -178.707 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -72.64 160.46 32.2 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.337 -0.852 . . . . 0.0 109.425 179.777 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 52.3 p-90 -58.69 -30.07 67.12 Favored 'General case' 0 C--N 1.303 -1.415 0 C-N-CA 119.55 -0.86 . . . . 0.0 109.952 -179.794 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 60.3 mtp180 -62.53 -40.01 95.39 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.016 -1.053 . . . . 0.0 109.756 179.917 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.27 -49.5 55.51 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.24 -0.912 . . . . 0.0 109.277 179.691 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 77.8 mtm -61.72 -39.79 92.78 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.313 -0.867 . . . . 0.0 109.667 179.615 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.93 -49.22 77.5 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 119.233 -0.987 . . . . 0.0 109.137 -179.914 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 15.6 m -70.81 -34.44 71.73 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.253 -0.905 . . . . 0.0 110.113 179.933 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 55.2 t0 -60.32 -46.06 91.23 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.175 -0.953 . . . . 0.0 110.499 -178.988 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -104.96 0.7 28.03 Favored 'General case' 0 N--CA 1.502 2.17 0 O-C-N 121.276 -0.89 . . . . 0.0 110.055 179.961 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 50.7 t30 59.5 49.92 8.05 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.341 -0.849 . . . . 0.0 109.848 179.513 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 53.9 mt -114.12 151.99 45.43 Favored Pre-proline 0 N--CA 1.502 2.166 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 179.711 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 27.2 Cg_endo -60.96 163.24 16.84 Favored 'Trans proline' 0 N--CA 1.49 1.301 0 C-N-CA 121.795 1.663 . . . . 0.0 110.858 179.295 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -56.37 -37.16 97.51 Favored 'Trans proline' 0 C--N 1.3 -2.009 0 C-N-CA 122.485 2.123 . . . . 0.0 112.489 -179.251 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.441 HG13 ' CG ' ' A' ' 35' ' ' GLU . 95.9 t -57.78 -45.45 87.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 120.913 -1.117 . . . . 0.0 110.369 -178.7 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 45.1 t -68.65 -47.58 76.02 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.71 0 C-N-CA 118.264 -1.374 . . . . 0.0 109.1 -179.242 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.95 -47.33 71.96 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.403 -0.811 . . . . 0.0 110.198 179.739 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -60.85 -34.85 75.22 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.801 -1.187 . . . . 0.0 110.32 179.847 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.1 tm-20 -61.13 -38.91 88.09 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 120.997 -1.064 . . . . 0.0 110.083 -179.978 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 84.8 mt -59.36 -40.36 81.32 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 120.985 -1.072 . . . . 0.0 109.205 -179.859 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 86.6 t -62.7 -39.72 85.8 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.478 0 C-N-CA 119.21 -0.996 . . . . 0.0 108.584 179.64 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . 0.524 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -60.37 -30.72 69.75 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.528 -0.732 . . . . 0.0 109.193 179.511 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 17.0 m -77.3 -29.79 53.84 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.401 -0.812 . . . . 0.0 109.169 -179.607 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 44.3 t -82.56 102.25 11.28 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.306 -0.871 . . . . 0.0 109.43 -179.939 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -60.83 -28.6 68.93 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.496 -0.753 . . . . 0.0 109.822 -179.857 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -71.79 -42.7 66.8 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.177 -0.952 . . . . 0.0 110.875 -178.837 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 87.1 m -83.09 -23.44 33.08 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 120.742 -1.224 . . . . 0.0 109.645 179.684 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . 0.524 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 6.8 tt0 . . . . . 0 C--N 1.303 -1.422 0 O-C-N 121.415 -0.803 . . . . 0.0 109.057 -179.686 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . 0.573 ' O ' HD12 ' A' ' 5' ' ' ILE . 76.9 m-85 . . . . . 0 N--CA 1.493 1.707 0 CA-C-O 121.627 0.727 . . . . 0.0 109.679 . . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 15.2 mt -72.92 -27.22 61.74 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 121.341 -0.85 . . . . 0.0 111.081 -178.258 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.516 ' OD1' ' N ' ' A' ' 3' ' ' ASP . 18.3 p-10 -69.44 -61.79 1.64 Allowed 'General case' 0 N--CA 1.496 1.847 0 O-C-N 120.805 -1.185 . . . . 0.0 111.542 -178.302 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.421 ' H ' ' CG ' ' A' ' 3' ' ' ASP . . . -60.13 -40.77 97.63 Favored Glycine 0 N--CA 1.495 2.591 0 C-N-CA 119.886 -1.149 . . . . 0.0 110.446 -178.773 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.573 HD12 ' O ' ' A' ' 1' ' ' PHE . 96.4 mt -59.75 -39.36 79.55 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 O-C-N 121.199 -1.177 . . . . 0.0 109.729 -179.976 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 51.7 t0 -54.15 -47.16 72.25 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 120.76 -1.212 . . . . 0.0 108.463 -179.345 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 64.8 mttm -68.59 -43.62 76.09 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.199 -0.938 . . . . 0.0 109.761 178.972 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.94 -37.38 85.88 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.266 -0.896 . . . . 0.0 109.754 -179.892 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -57.8 -40.14 79.19 Favored 'General case' 0 C--N 1.305 -1.353 0 C-N-CA 119.365 -0.934 . . . . 0.0 109.263 -179.137 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -61.92 -42.22 98.84 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.176 -0.952 . . . . 0.0 109.011 178.521 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 25.3 tp10 -59.65 -40.86 89.1 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 179.44 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.555 ' O ' ' N ' ' A' ' 16' ' ' HIS . 13.0 t60 -60.44 -47.98 83.77 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.268 -0.895 . . . . 0.0 109.489 179.455 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -59.99 -40.41 89.06 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.979 -1.076 . . . . 0.0 110.08 -179.913 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.3 mtpp -62.06 -37.27 84.36 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.193 -0.942 . . . . 0.0 112.628 -178.98 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -135.2 -3.12 2.47 Favored 'General case' 0 N--CA 1.51 2.533 0 O-C-N 120.883 -1.136 . . . . 0.0 112.61 -177.069 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.555 ' N ' ' O ' ' A' ' 12' ' ' HIS . 89.6 m-70 53.78 40.68 31.79 Favored 'General case' 0 N--CA 1.495 1.824 0 N-CA-C 107.331 -1.359 . . . . 0.0 107.331 -177.649 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 78.3 p -62.51 158.0 18.98 Favored 'General case' 0 C--N 1.302 -1.478 0 CA-C-O 121.357 0.598 . . . . 0.0 110.509 -178.888 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 28.0 m120 -73.43 157.55 36.65 Favored 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 179.816 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 31.2 p-90 -57.6 -29.72 64.73 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.158 -0.964 . . . . 0.0 110.102 -179.33 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -62.91 -39.68 95.28 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.128 -0.983 . . . . 0.0 109.975 179.557 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.19 -49.7 54.21 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.356 -0.84 . . . . 0.0 109.6 -179.592 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 77.6 mtm -60.16 -39.49 86.61 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.224 -0.922 . . . . 0.0 109.379 179.062 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -58.38 -49.39 77.4 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.29 -0.881 . . . . 0.0 109.132 -179.923 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 21.6 t -70.33 -34.29 72.5 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.473 -0.767 . . . . 0.0 109.71 179.291 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 57.8 t0 -60.22 -42.41 95.1 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.223 -0.923 . . . . 0.0 110.466 -179.211 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -111.19 4.08 18.96 Favored 'General case' 0 N--CA 1.502 2.152 0 O-C-N 121.431 -0.793 . . . . 0.0 109.925 -179.867 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.433 ' N ' ' O ' ' A' ' 23' ' ' ALA . 13.2 m120 56.89 43.29 25.07 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.238 -0.913 . . . . 0.0 110.105 -179.95 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 86.8 mt -108.19 152.49 41.88 Favored Pre-proline 0 N--CA 1.5 2.025 0 O-C-N 121.319 -0.863 . . . . 0.0 109.105 -179.936 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_endo -62.48 150.35 87.77 Favored 'Trans proline' 0 N--CA 1.493 1.462 0 C-N-CA 121.858 1.706 . . . . 0.0 111.532 -179.813 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -44.32 -37.16 10.06 Favored 'Trans proline' 0 C--N 1.309 -1.52 0 C-N-CA 121.494 1.463 . . . . 0.0 111.647 -179.92 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 49.9 t -52.78 -51.39 36.68 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.638 0 C-N-CA 119.657 -0.817 . . . . 0.0 110.739 -178.279 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.413 HG13 HD11 ' A' ' 5' ' ' ILE . 61.6 t -64.86 -46.81 90.76 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.958 0 C-N-CA 118.324 -1.35 . . . . 0.0 109.942 -178.452 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.97 -45.85 76.44 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.142 -0.974 . . . . 0.0 110.293 179.981 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -60.8 -36.06 78.06 Favored 'General case' 0 C--N 1.302 -1.496 0 C-N-CA 119.273 -0.971 . . . . 0.0 110.205 -179.334 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -61.35 -38.57 87.42 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 120.991 -1.068 . . . . 0.0 109.835 -179.619 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 81.7 mt -60.92 -39.72 82.98 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.451 0 O-C-N 120.825 -1.172 . . . . 0.0 109.845 -179.893 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 85.9 t -62.35 -39.93 86.02 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.603 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 179.888 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.05 -30.25 69.07 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.475 -0.765 . . . . 0.0 109.379 179.841 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 63.9 m -77.17 -28.93 54.25 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.356 -0.84 . . . . 0.0 109.212 -179.762 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 42.7 t -81.76 104.08 11.9 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.53 -0.731 . . . . 0.0 109.403 179.769 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -62.0 -28.98 69.95 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.223 -0.923 . . . . 0.0 110.311 -179.842 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 81.2 mttt -70.09 -40.68 74.82 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.157 -0.964 . . . . 0.0 110.671 -177.987 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 66.2 m -83.26 -28.05 29.44 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.046 -1.034 . . . . 0.0 109.697 179.977 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.472 ' NE2' ' OE1' ' B' ' 44' ' ' GLN . 57.2 tt0 . . . . . 0 N--CA 1.487 1.411 0 O-C-N 121.197 -0.94 . . . . 0.0 109.086 179.986 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . 0.614 ' O ' HD12 ' B' ' 5' ' ' ILE . 77.0 m-85 . . . . . 0 N--CA 1.491 1.606 0 CA-C-O 121.558 0.694 . . . . 0.0 109.71 . . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 16.6 mt -73.04 -27.97 62.06 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.52 -0.737 . . . . 0.0 111.747 -178.106 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . 0.515 ' OD1' ' N ' ' B' ' 3' ' ' ASP . 17.2 p-10 -70.0 -61.26 1.85 Allowed 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.572 -1.33 . . . . 0.0 111.016 -178.395 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 4' ' ' GLY . . . . . 0.43 ' H ' ' CG ' ' B' ' 3' ' ' ASP . . . -58.5 -43.08 96.15 Favored Glycine 0 N--CA 1.493 2.474 0 N-CA-C 110.104 -1.198 . . . . 0.0 110.104 -178.992 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . 0.614 HD12 ' O ' ' B' ' 1' ' ' PHE . 97.8 mt -58.81 -38.87 75.17 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.562 0 O-C-N 121.441 -1.035 . . . . 0.0 110.386 -179.935 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 49.1 t0 -54.42 -47.16 73.13 Favored 'General case' 0 C--N 1.304 -1.411 0 C-N-CA 118.412 -1.315 . . . . 0.0 108.54 -179.461 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -68.11 -44.1 76.93 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 119.414 -0.914 . . . . 0.0 109.602 179.258 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.11 -36.48 83.26 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.353 -0.842 . . . . 0.0 109.797 -179.835 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -58.82 -40.34 83.84 Favored 'General case' 0 C--N 1.305 -1.328 0 O-C-N 121.235 -0.916 . . . . 0.0 109.033 -179.382 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -61.25 -41.76 97.46 Favored 'General case' 0 C--N 1.302 -1.457 0 C-N-CA 118.984 -1.086 . . . . 0.0 108.812 178.665 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 25.0 tp10 -60.4 -40.07 89.64 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.244 -0.91 . . . . 0.0 109.193 179.705 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 12' ' ' HIS . . . . . 0.544 ' O ' ' N ' ' B' ' 16' ' ' HIS . 13.0 t60 -61.03 -47.29 87.09 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 119.29 -0.964 . . . . 0.0 109.066 179.472 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -59.8 -40.84 89.69 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.1 -1.0 . . . . 0.0 109.971 -179.86 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp -62.33 -36.41 82.1 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.316 -0.865 . . . . 0.0 112.532 -178.609 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -135.78 -2.67 2.36 Favored 'General case' 0 N--CA 1.509 2.499 0 O-C-N 120.678 -1.264 . . . . 0.0 112.732 -177.547 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.544 ' N ' ' O ' ' B' ' 12' ' ' HIS . 90.1 m-70 53.98 40.7 31.87 Favored 'General case' 0 N--CA 1.497 1.905 0 N-CA-C 107.209 -1.404 . . . . 0.0 107.209 -177.048 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 83.1 p -63.57 158.78 20.26 Favored 'General case' 0 C--N 1.303 -1.417 0 CA-C-O 121.504 0.669 . . . . 0.0 110.69 -178.303 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 27.2 m120 -73.61 157.39 36.73 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.748 -0.595 . . . . 0.0 109.65 -179.819 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 27.9 p-90 -57.72 -30.22 65.35 Favored 'General case' 0 C--N 1.301 -1.508 0 C-N-CA 119.485 -0.886 . . . . 0.0 109.814 -179.601 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -62.85 -39.57 94.78 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.236 -0.915 . . . . 0.0 109.677 179.439 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.68 -50.36 51.64 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.106 -0.996 . . . . 0.0 109.762 -179.908 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 77.3 mtm -60.05 -38.93 84.26 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.151 -0.968 . . . . 0.0 109.559 178.948 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.405 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -59.64 -49.16 78.82 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.304 -0.872 . . . . 0.0 108.844 -179.57 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 12.7 t -70.47 -33.39 71.21 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.728 -0.607 . . . . 0.0 109.834 179.613 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 59.9 t0 -60.66 -44.05 96.9 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.414 -0.804 . . . . 0.0 110.371 -179.116 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -109.62 3.85 21.49 Favored 'General case' 0 N--CA 1.504 2.227 0 O-C-N 121.615 -0.678 . . . . 0.0 110.184 -179.462 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.405 ' N ' ' O ' ' B' ' 23' ' ' ALA . 13.7 m120 56.17 45.45 23.29 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.405 -0.809 . . . . 0.0 109.682 -179.658 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 91.2 mt -110.24 150.88 42.15 Favored Pre-proline 0 N--CA 1.498 1.966 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 179.545 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -60.54 152.28 69.37 Favored 'Trans proline' 0 N--CA 1.489 1.222 0 C-N-CA 121.728 1.619 . . . . 0.0 111.247 -179.844 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_exo -45.44 -37.97 15.27 Favored 'Trans proline' 0 C--N 1.313 -1.327 0 C-N-CA 121.821 1.681 . . . . 0.0 111.851 179.413 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 60.0 t -52.24 -49.52 40.74 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.813 0 O-C-N 121.446 -0.784 . . . . 0.0 110.657 -178.043 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . 0.48 HG13 HD11 ' B' ' 5' ' ' ILE . 58.6 t -67.32 -47.36 81.43 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.922 0 C-N-CA 118.221 -1.392 . . . . 0.0 109.486 -178.34 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.82 -45.46 82.21 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.397 -0.814 . . . . 0.0 110.046 179.826 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 52.1 mtpt -61.06 -36.65 80.18 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.026 -1.046 . . . . 0.0 109.991 -179.528 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.8 tm-20 -60.69 -39.11 87.28 Favored 'General case' 0 C--N 1.303 -1.433 0 C-N-CA 118.994 -1.082 . . . . 0.0 110.032 -179.705 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 81.1 mt -60.68 -39.7 82.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 120.608 -1.308 . . . . 0.0 109.592 179.863 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 83.0 t -62.65 -39.54 85.07 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.55 0 O-C-N 121.261 -0.899 . . . . 0.0 108.676 -179.969 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . 0.44 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -60.29 -30.1 69.25 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.383 -0.823 . . . . 0.0 109.424 179.396 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 71.1 m -77.88 -28.27 49.91 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.565 -0.709 . . . . 0.0 109.589 -179.598 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 43.2 t -82.4 103.22 11.8 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.322 -0.861 . . . . 0.0 109.278 179.664 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -60.98 -28.29 68.91 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.318 -0.863 . . . . 0.0 110.054 -179.899 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 82.8 mttt -71.38 -40.34 70.63 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.167 -0.958 . . . . 0.0 110.678 -178.008 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 63.8 m -83.33 -29.03 28.62 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 120.797 -1.189 . . . . 0.0 109.275 -179.786 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . 0.472 ' OE1' ' NE2' ' A' ' 44' ' ' GLN . 6.9 tt0 . . . . . 0 N--CA 1.489 1.5 0 O-C-N 121.179 -0.95 . . . . 0.0 109.51 179.821 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . 0.415 ' O ' HD12 ' A' ' 5' ' ' ILE . 43.6 m-85 . . . . . 0 N--CA 1.494 1.745 0 CA-C-O 121.562 0.696 . . . . 0.0 109.926 . . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 41.7 mt -69.37 -30.24 68.2 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.366 -0.834 . . . . 0.0 111.221 -178.459 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 57.1 t0 -61.67 -51.14 69.67 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.723 -1.236 . . . . 0.0 110.729 -179.257 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.97 -44.47 45.98 Favored Glycine 0 N--CA 1.492 2.426 0 N-CA-C 109.78 -1.328 . . . . 0.0 109.78 -179.562 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.476 ' O ' ' N ' ' A' ' 9' ' ' GLN . 84.7 mt -58.07 -39.68 73.66 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.497 0 O-C-N 121.516 -0.99 . . . . 0.0 109.557 -179.801 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -56.42 -46.54 80.17 Favored 'General case' 0 C--N 1.302 -1.466 0 C-N-CA 119.161 -1.016 . . . . 0.0 108.891 -179.685 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 63.4 mttm -69.19 -40.3 78.14 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 120.979 -1.075 . . . . 0.0 108.622 178.479 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.46 -37.18 84.58 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.309 -0.87 . . . . 0.0 109.571 179.47 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.476 ' N ' ' O ' ' A' ' 5' ' ' ILE . 56.6 tt0 -57.3 -40.09 77.12 Favored 'General case' 0 N--CA 1.486 1.37 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 -178.844 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 19.5 tp10 -60.62 -43.79 97.08 Favored 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 178.682 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.7 tm-20 -60.56 -41.49 94.69 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.361 -0.837 . . . . 0.0 108.849 178.875 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.529 ' O ' ' N ' ' A' ' 16' ' ' HIS . 13.8 t60 -61.54 -47.0 87.54 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.215 -0.928 . . . . 0.0 109.954 179.482 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.8 tp10 -60.83 -42.67 98.22 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.222 -0.924 . . . . 0.0 110.363 -179.196 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -62.63 -30.74 71.59 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.509 -0.744 . . . . 0.0 112.913 -178.207 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -140.81 -3.78 1.25 Allowed 'General case' 0 N--CA 1.509 2.487 0 O-C-N 120.755 -1.216 . . . . 0.0 112.453 -176.946 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.529 ' N ' ' O ' ' A' ' 12' ' ' HIS . 89.2 m-70 53.83 46.8 25.0 Favored 'General case' 0 N--CA 1.497 1.916 0 N-CA-C 107.359 -1.349 . . . . 0.0 107.359 -177.464 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 88.6 p -67.36 156.03 37.48 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.286 -0.884 . . . . 0.0 110.607 -178.197 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -71.72 154.29 41.45 Favored 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 179.872 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 47.2 p-90 -55.03 -31.41 61.07 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.182 -0.949 . . . . 0.0 110.384 -179.065 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 75.4 mtm180 -62.58 -40.1 95.8 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 120.9 -1.125 . . . . 0.0 109.802 -179.965 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.36 -47.7 63.52 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.329 -0.857 . . . . 0.0 109.476 -179.251 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 77.8 mtm -60.93 -39.67 90.3 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.17 -0.956 . . . . 0.0 109.469 179.545 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.491 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -57.67 -47.74 81.44 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.431 -0.793 . . . . 0.0 109.5 -179.631 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 33.2 t -70.26 -36.86 74.71 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.176 -0.953 . . . . 0.0 110.455 179.955 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -60.32 -39.83 88.42 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.211 -0.931 . . . . 0.0 110.532 -179.01 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -111.3 -1.74 15.93 Favored 'General case' 0 N--CA 1.505 2.288 0 O-C-N 121.362 -0.836 . . . . 0.0 109.817 -179.581 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.491 ' N ' ' O ' ' A' ' 23' ' ' ALA . 59.1 t30 58.54 49.92 9.88 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.136 -0.978 . . . . 0.0 110.594 179.884 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 81.4 mt -115.1 151.81 46.04 Favored Pre-proline 0 N--CA 1.507 2.386 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 179.374 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_endo -60.75 153.27 63.62 Favored 'Trans proline' 0 N--CA 1.496 1.639 0 C-N-CA 121.603 1.535 . . . . 0.0 111.38 -179.82 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_exo -45.3 -35.12 11.02 Favored 'Trans proline' 0 C--N 1.311 -1.447 0 C-N-CA 122.037 1.824 . . . . 0.0 112.042 179.579 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 70.4 t -54.13 -50.01 57.96 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.742 0 O-C-N 121.43 -0.794 . . . . 0.0 110.24 -178.225 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 62.2 t -67.01 -48.87 78.15 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.791 0 C-N-CA 118.594 -1.242 . . . . 0.0 109.092 -179.291 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.99 -45.21 86.57 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.295 -0.878 . . . . 0.0 110.646 -179.794 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 50.6 mtpt -61.77 -37.43 84.29 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.04 -1.038 . . . . 0.0 110.253 -179.911 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -61.44 -37.96 85.43 Favored 'General case' 0 N--CA 1.484 1.239 0 O-C-N 120.83 -1.169 . . . . 0.0 110.147 -178.647 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 43.6 mt -59.68 -39.67 80.24 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.387 0 C-N-CA 118.472 -1.291 . . . . 0.0 107.588 179.606 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 69.4 t -62.42 -39.49 84.5 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.403 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 178.678 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.75 -35.75 75.22 Favored 'General case' 0 C--N 1.305 -1.327 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 179.545 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 23.1 m -74.36 -33.63 63.15 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 121.435 -0.791 . . . . 0.0 109.661 -179.999 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 35.6 t -80.97 101.88 9.79 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.343 -0.848 . . . . 0.0 109.655 -179.441 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 -60.84 -28.57 68.92 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.451 -0.781 . . . . 0.0 110.526 -179.669 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 89.4 mttt -69.86 -40.42 75.78 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.545 -1.347 . . . . 0.0 110.205 -179.146 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 69.4 m -84.34 -23.17 30.32 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.093 -1.005 . . . . 0.0 109.377 179.76 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.5 ' NE2' ' OE1' ' B' ' 44' ' ' GLN . 56.4 tt0 . . . . . 0 N--CA 1.491 1.622 0 O-C-N 121.065 -1.022 . . . . 0.0 108.688 -179.87 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . 0.421 ' O ' HD12 ' B' ' 5' ' ' ILE . 42.4 m-85 . . . . . 0 N--CA 1.491 1.608 0 CA-C-O 121.482 0.658 . . . . 0.0 109.869 . . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 47.0 mt -69.23 -31.54 70.18 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.061 -1.024 . . . . 0.0 111.048 -178.264 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -60.94 -51.13 70.59 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 120.856 -1.153 . . . . 0.0 110.95 -178.699 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.36 -43.38 46.16 Favored Glycine 0 N--CA 1.492 2.414 0 N-CA-C 109.553 -1.419 . . . . 0.0 109.553 -179.372 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . 0.44 ' O ' ' N ' ' B' ' 9' ' ' GLN . 86.2 mt -59.02 -39.67 78.89 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.705 0 O-C-N 121.396 -1.061 . . . . 0.0 109.802 179.987 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -56.81 -45.75 82.05 Favored 'General case' 0 C--N 1.302 -1.458 0 C-N-CA 119.263 -0.975 . . . . 0.0 108.573 -179.583 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 64.6 mttm -69.71 -40.35 76.33 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 120.899 -1.126 . . . . 0.0 108.792 178.362 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.46 -36.96 84.07 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.276 -0.89 . . . . 0.0 109.537 179.444 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . 0.44 ' N ' ' O ' ' B' ' 5' ' ' ILE . 54.5 tt0 -57.32 -40.4 77.83 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.229 -0.919 . . . . 0.0 108.691 -179.178 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 19.4 tp10 -60.35 -43.29 96.62 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 178.875 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 13.1 tm-20 -60.75 -42.01 96.57 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.182 -0.949 . . . . 0.0 108.953 179.006 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 12' ' ' HIS . . . . . 0.522 ' O ' ' N ' ' B' ' 16' ' ' HIS . 13.5 t60 -61.57 -46.64 89.0 Favored 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 119.689 -0.805 . . . . 0.0 110.085 179.814 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 42.4 tp10 -60.47 -42.07 95.48 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.044 -1.035 . . . . 0.0 110.404 -179.492 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 25.7 mtpp -63.65 -30.68 71.76 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.572 -0.705 . . . . 0.0 112.854 -178.379 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -140.84 -3.73 1.25 Allowed 'General case' 0 N--CA 1.507 2.386 0 O-C-N 120.496 -1.378 . . . . 0.0 112.78 -177.08 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.522 ' N ' ' O ' ' B' ' 12' ' ' HIS . 91.0 m-70 53.34 47.15 24.86 Favored 'General case' 0 N--CA 1.498 1.933 0 N-CA-C 107.29 -1.374 . . . . 0.0 107.29 -177.533 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 84.4 p -67.34 155.64 38.42 Favored 'General case' 0 C--N 1.3 -1.55 0 C-N-CA 119.771 -0.772 . . . . 0.0 110.201 -178.37 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -71.94 155.65 40.13 Favored 'General case' 0 N--CA 1.489 1.475 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 179.95 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 44.6 p-90 -55.41 -31.34 61.78 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.177 -0.952 . . . . 0.0 110.48 -179.078 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 76.3 mtm180 -62.61 -40.2 96.19 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 120.888 -1.132 . . . . 0.0 109.991 -179.97 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.94 -47.99 64.34 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.19 -0.944 . . . . 0.0 109.853 -179.175 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 78.9 mtm -60.51 -39.7 88.74 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.231 -0.918 . . . . 0.0 109.289 179.671 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.483 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -57.41 -47.43 81.75 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 119.654 -0.818 . . . . 0.0 109.528 -179.602 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 34.0 t -70.18 -38.39 75.38 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.263 -0.898 . . . . 0.0 110.754 -179.847 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -59.95 -39.82 86.86 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.246 -0.909 . . . . 0.0 110.588 -178.76 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -110.48 -2.38 16.56 Favored 'General case' 0 N--CA 1.501 2.075 0 O-C-N 121.457 -0.777 . . . . 0.0 109.992 -179.686 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.483 ' N ' ' O ' ' B' ' 23' ' ' ALA . 53.8 t30 58.85 50.0 9.14 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.294 -0.879 . . . . 0.0 110.548 179.603 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 83.9 mt -115.51 151.25 45.87 Favored Pre-proline 0 N--CA 1.504 2.239 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 179.142 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -60.14 154.47 51.47 Favored 'Trans proline' 0 N--CA 1.492 1.427 0 C-N-CA 121.461 1.44 . . . . 0.0 111.116 -179.854 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -46.04 -36.23 15.8 Favored 'Trans proline' 0 N--CA 1.491 1.339 0 C-N-CA 121.998 1.798 . . . . 0.0 112.107 179.608 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 76.4 t -52.74 -49.75 45.1 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.67 0 O-C-N 121.412 -0.805 . . . . 0.0 110.544 -178.414 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 61.6 t -67.85 -48.01 77.13 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.759 0 C-N-CA 118.705 -1.198 . . . . 0.0 109.387 -179.082 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.67 -45.41 83.0 Favored 'General case' 0 C--N 1.301 -1.536 0 C-N-CA 119.692 -0.803 . . . . 0.0 110.124 -179.767 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 51.6 mtpt -60.67 -38.55 85.28 Favored 'General case' 0 N--CA 1.486 1.369 0 O-C-N 120.987 -1.071 . . . . 0.0 110.237 179.822 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 14.6 tm-20 -60.8 -38.14 84.36 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.019 -1.05 . . . . 0.0 110.132 -178.45 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 47.8 mt -59.76 -39.9 81.05 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.406 0 O-C-N 120.655 -1.278 . . . . 0.0 107.624 179.828 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 72.8 t -62.42 -39.61 84.96 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 178.631 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . 0.478 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -59.41 -35.45 74.0 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 179.366 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 21.5 m -75.69 -32.05 59.95 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.224 -0.923 . . . . 0.0 109.997 -179.881 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 38.8 t -81.62 101.12 9.81 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.309 -0.869 . . . . 0.0 109.635 -179.421 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -60.4 -29.3 68.87 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.275 -0.891 . . . . 0.0 110.515 -179.476 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 88.8 mttt -68.81 -40.83 79.33 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.588 -1.32 . . . . 0.0 110.062 -178.897 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 87.7 m -84.12 -24.54 30.23 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 120.781 -1.199 . . . . 0.0 109.766 179.607 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . 0.5 ' OE1' ' NE2' ' A' ' 44' ' ' GLN . 7.0 tt0 . . . . . 0 N--CA 1.488 1.455 0 O-C-N 120.863 -1.148 . . . . 0.0 108.89 -179.885 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . 0.515 ' O ' HD12 ' A' ' 5' ' ' ILE . 43.3 m-85 . . . . . 0 N--CA 1.49 1.562 0 CA-C-O 121.535 0.683 . . . . 0.0 109.587 . . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 20.0 mt -67.95 -32.2 72.48 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.691 -0.63 . . . . 0.0 111.553 -178.045 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 58.9 t0 -65.16 -55.39 18.9 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.828 -1.17 . . . . 0.0 110.975 -178.609 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.39 -42.51 97.64 Favored Glycine 0 N--CA 1.488 2.145 0 N-CA-C 109.531 -1.427 . . . . 0.0 109.531 -179.623 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.515 HD12 ' O ' ' A' ' 1' ' ' PHE . 81.2 mt -59.86 -40.0 81.52 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.536 0 O-C-N 121.499 -1.0 . . . . 0.0 110.201 -179.882 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -54.8 -46.79 74.54 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 120.618 -1.301 . . . . 0.0 108.941 -179.375 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 50.8 mttp -69.58 -40.73 76.55 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.06 -1.025 . . . . 0.0 108.869 179.225 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.98 -35.4 78.28 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.313 -0.867 . . . . 0.0 109.453 -179.872 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.441 ' N ' ' O ' ' A' ' 5' ' ' ILE . 59.6 tt0 -58.16 -41.22 83.33 Favored 'General case' 0 C--N 1.305 -1.353 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 -179.677 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -61.9 -40.82 96.77 Favored 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 119.659 -0.816 . . . . 0.0 109.192 179.269 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.464 ' CD ' ' HG ' ' A' ' 17' ' ' SER . 12.1 tm-20 -60.43 -40.37 90.84 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.094 -1.004 . . . . 0.0 108.635 179.284 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.536 ' O ' ' N ' ' A' ' 16' ' ' HIS . 14.9 t60 -62.68 -46.09 89.76 Favored 'General case' 0 C--N 1.305 -1.327 0 O-C-N 121.238 -0.913 . . . . 0.0 110.322 179.903 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -60.38 -44.42 95.67 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.082 -1.011 . . . . 0.0 110.369 -179.083 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.0 mtpp -61.93 -31.08 71.37 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.274 -0.891 . . . . 0.0 113.111 -178.452 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 33.7 m-85 -139.11 -5.27 1.47 Allowed 'General case' 0 N--CA 1.506 2.345 0 O-C-N 120.647 -1.283 . . . . 0.0 112.687 -176.502 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.536 ' N ' ' O ' ' A' ' 12' ' ' HIS . 91.0 m-70 54.25 41.91 31.76 Favored 'General case' 0 N--CA 1.495 1.799 0 N-CA-C 107.317 -1.364 . . . . 0.0 107.317 -177.676 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.464 ' HG ' ' CD ' ' A' ' 11' ' ' GLU . 80.2 p -64.44 153.51 38.53 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.6 -0.688 . . . . 0.0 110.104 -178.509 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -71.32 157.84 37.39 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.462 -0.773 . . . . 0.0 109.186 179.602 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 48.6 p-90 -56.67 -32.16 65.14 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.407 -0.808 . . . . 0.0 110.606 -179.265 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -60.97 -40.16 92.32 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 120.955 -1.091 . . . . 0.0 109.179 -179.944 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.59 -48.76 63.35 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.595 -0.691 . . . . 0.0 109.159 -179.917 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 78.6 mtm -61.59 -40.74 95.88 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.165 -0.959 . . . . 0.0 109.005 179.411 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.497 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -57.86 -47.31 83.09 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.229 -0.919 . . . . 0.0 109.069 179.661 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 43.7 m -70.32 -34.71 73.03 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.273 -0.892 . . . . 0.0 110.199 179.984 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -61.55 -42.15 98.41 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.008 -1.057 . . . . 0.0 110.038 -179.038 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -109.54 1.32 19.66 Favored 'General case' 0 N--CA 1.501 2.08 0 O-C-N 121.5 -0.75 . . . . 0.0 110.229 -179.416 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.497 ' N ' ' O ' ' A' ' 23' ' ' ALA . 64.1 m-20 54.72 51.1 14.41 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.422 -0.799 . . . . 0.0 109.684 179.804 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 85.3 mt -115.37 153.01 47.53 Favored Pre-proline 0 N--CA 1.503 2.178 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 179.833 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_endo -61.57 144.04 97.42 Favored 'Trans proline' 0 N--CA 1.496 1.634 0 C-N-CA 121.97 1.78 . . . . 0.0 111.715 -179.896 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -39.69 -34.74 0.83 Allowed 'Trans proline' 0 N--CA 1.487 1.137 0 C-N-CA 122.281 1.987 . . . . 0.0 112.23 -179.417 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 89.0 t -54.87 -49.68 67.94 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.804 0 O-C-N 121.345 -0.847 . . . . 0.0 110.257 -178.599 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 61.7 t -66.83 -48.38 79.98 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.009 0 C-N-CA 118.421 -1.311 . . . . 0.0 109.539 -178.939 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.4 -44.67 82.38 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.391 -0.818 . . . . 0.0 109.665 -179.673 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.17 -38.0 81.89 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.931 -1.106 . . . . 0.0 109.797 -179.942 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.4 tm-20 -60.07 -39.74 87.1 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.195 -0.94 . . . . 0.0 110.452 -178.911 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 53.1 mt -59.72 -39.58 80.09 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 120.882 -1.136 . . . . 0.0 108.657 179.993 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 62.8 t -62.43 -39.41 84.23 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.706 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 179.078 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.88 -32.14 71.59 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.522 -0.736 . . . . 0.0 109.994 179.448 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.0 m -78.49 -26.4 45.99 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.935 -1.103 . . . . 0.0 109.747 -179.705 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 41.2 t -81.26 103.29 10.94 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.137 -0.977 . . . . 0.0 109.067 -179.912 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -60.36 -31.2 70.1 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.315 -0.866 . . . . 0.0 110.016 -179.745 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -69.56 -40.17 76.95 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.028 -1.045 . . . . 0.0 111.233 -178.587 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 67.9 m -84.6 -26.38 27.95 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 120.771 -1.206 . . . . 0.0 109.493 179.97 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 . . . . . 0 N--CA 1.486 1.341 0 N-CA-C 107.553 -1.277 . . . . 0.0 107.553 179.387 . . . . . . . . 0 0 . 1 . 037 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . 0.49 ' O ' HD12 ' B' ' 5' ' ' ILE . 41.8 m-85 . . . . . 0 N--CA 1.494 1.727 0 CA-C-O 121.444 0.64 . . . . 0.0 110.044 . . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 19.7 mt -67.98 -33.15 74.1 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.688 -0.632 . . . . 0.0 111.487 -178.003 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 58.4 t0 -64.16 -55.05 24.55 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.776 -1.202 . . . . 0.0 111.237 -178.865 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.56 -43.03 97.13 Favored Glycine 0 N--CA 1.492 2.387 0 N-CA-C 109.429 -1.469 . . . . 0.0 109.429 -179.685 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . 0.49 HD12 ' O ' ' B' ' 1' ' ' PHE . 83.5 mt -59.52 -38.78 77.07 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.701 -0.882 . . . . 0.0 110.726 -179.959 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -56.19 -47.21 78.77 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 120.875 -1.141 . . . . 0.0 108.682 -179.286 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 50.2 mttp -69.06 -40.13 78.69 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.27 -0.894 . . . . 0.0 109.105 179.459 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.34 -35.38 77.68 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.612 -0.68 . . . . 0.0 109.32 179.733 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -58.47 -41.66 85.72 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.227 -0.92 . . . . 0.0 108.632 -179.786 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -60.98 -41.22 96.02 Favored 'General case' 0 N--CA 1.49 1.559 0 C-N-CA 119.405 -0.918 . . . . 0.0 109.292 179.021 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 11.9 tm-20 -60.19 -40.02 88.56 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.063 -1.023 . . . . 0.0 108.582 179.708 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 12' ' ' HIS . . . . . 0.517 ' O ' ' N ' ' B' ' 16' ' ' HIS . 15.3 t60 -63.26 -45.63 90.59 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.333 -0.854 . . . . 0.0 110.267 -179.989 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -61.1 -44.72 96.92 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 120.929 -1.107 . . . . 0.0 110.389 -178.995 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 23.5 mtpp -61.32 -32.51 72.37 Favored 'General case' 0 N--CA 1.491 1.588 0 N-CA-C 112.937 0.717 . . . . 0.0 112.937 -178.744 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -137.72 -5.05 1.76 Allowed 'General case' 0 N--CA 1.505 2.319 0 O-C-N 120.592 -1.318 . . . . 0.0 112.826 -176.833 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.517 ' N ' ' O ' ' B' ' 12' ' ' HIS . 91.8 m-70 53.84 43.28 31.17 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.494 -1.379 . . . . 0.0 107.307 -177.613 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 79.7 p -65.77 154.37 39.25 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.689 -0.632 . . . . 0.0 110.306 -178.846 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 83.8 m-20 -71.74 157.98 36.95 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.3 -0.875 . . . . 0.0 109.035 179.318 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 48.3 p-90 -57.12 -31.63 65.5 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.516 -0.74 . . . . 0.0 110.705 -179.279 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -61.29 -39.92 92.21 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.853 -1.155 . . . . 0.0 108.989 179.669 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.41 -49.58 58.98 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.41 -0.806 . . . . 0.0 109.005 179.771 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 79.3 mtm -60.72 -40.56 92.78 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.974 -1.079 . . . . 0.0 109.086 179.369 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.461 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -57.81 -47.3 83.01 Favored 'General case' 0 C--N 1.303 -1.432 0 C-N-CA 119.465 -0.894 . . . . 0.0 109.308 179.882 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 42.0 m -70.26 -35.63 73.91 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.303 -0.873 . . . . 0.0 110.241 -179.937 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 66.8 t0 -60.69 -42.24 96.76 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.031 -1.043 . . . . 0.0 110.446 -178.791 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -109.46 1.28 19.75 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 121.313 -0.867 . . . . 0.0 110.142 -179.584 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.461 ' N ' ' O ' ' B' ' 23' ' ' ALA . 66.5 m-20 55.22 49.88 16.28 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.347 -0.846 . . . . 0.0 109.677 179.985 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 77.0 mt -114.06 152.5 45.85 Favored Pre-proline 0 N--CA 1.502 2.128 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 179.767 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_endo -61.3 144.97 98.84 Favored 'Trans proline' 0 N--CA 1.497 1.734 0 C-N-CA 121.937 1.758 . . . . 0.0 111.769 -179.898 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 30' ' ' PRO . . . . . 0.404 ' O ' ' CG ' ' B' ' 34' ' ' LYS . 38.4 Cg_exo -40.17 -34.5 1.03 Allowed 'Trans proline' 0 N--CA 1.491 1.359 0 C-N-CA 122.302 2.002 . . . . 0.0 112.473 -179.364 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 87.1 t -55.75 -49.81 71.99 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.639 0 O-C-N 121.36 -0.837 . . . . 0.0 110.325 -178.508 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 57.1 t -66.28 -47.79 83.2 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.915 0 C-N-CA 118.56 -1.256 . . . . 0.0 109.538 -179.194 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.97 -44.77 79.65 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.477 -0.764 . . . . 0.0 110.211 -179.801 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.404 ' CG ' ' O ' ' B' ' 30' ' ' PRO . 1.1 mmmp? -60.06 -37.12 78.94 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.032 -1.043 . . . . 0.0 109.735 179.876 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.2 tm-20 -61.08 -39.87 91.55 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.064 -1.023 . . . . 0.0 110.353 -178.883 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 54.4 mt -59.65 -39.69 80.24 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 121.109 -0.994 . . . . 0.0 108.376 -179.834 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 60.2 t -62.65 -39.44 84.68 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 179.372 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . 0.522 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -60.63 -31.84 71.02 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.657 -0.652 . . . . 0.0 110.121 179.195 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 38.0 m -78.73 -26.32 44.68 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.011 -1.056 . . . . 0.0 109.703 -179.593 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 41.5 t -81.38 103.57 11.23 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.426 -0.796 . . . . 0.0 109.503 -179.982 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -60.15 -31.26 69.93 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.3 -0.875 . . . . 0.0 110.289 -179.91 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -69.92 -40.89 75.29 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.894 -1.129 . . . . 0.0 111.187 -178.684 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 70.6 m -84.01 -25.67 29.77 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 120.827 -1.171 . . . . 0.0 109.792 179.959 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . 0.522 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 14.9 tt0 . . . . . 0 N--CA 1.491 1.618 0 N-CA-C 107.436 -1.32 . . . . 0.0 107.436 179.26 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 . . . . . 0 N--CA 1.492 1.652 0 CA-C-O 121.841 0.829 . . . . 0.0 109.858 . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 20.0 mt -69.04 -31.85 70.93 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.572 -0.705 . . . . 0.0 111.155 -177.742 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.506 ' OD1' ' N ' ' A' ' 3' ' ' ASP . 22.0 p-10 -65.82 -57.71 7.31 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.771 -1.205 . . . . 0.0 111.169 -178.759 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.8 -41.74 97.75 Favored Glycine 0 N--CA 1.491 2.313 0 N-CA-C 110.398 -1.081 . . . . 0.0 110.398 -179.089 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.422 HD11 HG11 ' B' ' 31' ' ' VAL . 93.4 mt -60.08 -40.42 83.23 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.799 0 O-C-N 120.939 -1.33 . . . . 0.0 110.409 -179.721 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 61.8 t0 -54.93 -45.87 74.87 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 120.773 -1.205 . . . . 0.0 109.33 -179.135 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 48.1 mtmt -70.1 -41.51 73.94 Favored 'General case' 0 N--CA 1.488 1.455 0 C-N-CA 118.978 -1.089 . . . . 0.0 109.358 179.412 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.98 -36.69 80.45 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.514 -0.742 . . . . 0.0 109.277 179.662 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -57.3 -40.08 77.08 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.345 -0.847 . . . . 0.0 109.777 -179.588 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -63.43 -44.21 95.21 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.093 -1.004 . . . . 0.0 109.32 179.401 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 23.9 tp10 -59.91 -39.94 87.12 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.177 -0.952 . . . . 0.0 108.9 179.288 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.512 ' O ' ' N ' ' A' ' 16' ' ' HIS . 13.0 t60 -60.54 -47.28 86.87 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.218 -0.926 . . . . 0.0 109.897 179.4 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -60.7 -40.38 92.02 Favored 'General case' 0 C--N 1.298 -1.647 0 O-C-N 121.383 -0.823 . . . . 0.0 109.958 -179.21 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -64.03 -30.3 71.38 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.147 -0.971 . . . . 0.0 113.066 -179.089 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -140.59 -7.31 1.13 Allowed 'General case' 0 N--CA 1.506 2.362 0 O-C-N 120.572 -1.33 . . . . 0.0 112.62 -176.999 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.512 ' N ' ' O ' ' A' ' 12' ' ' HIS . 90.3 m-70 55.07 42.38 30.91 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 107.133 -1.432 . . . . 0.0 107.133 -177.559 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 92.1 p -66.52 157.64 31.7 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.652 -0.655 . . . . 0.0 110.476 -178.548 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -71.89 157.59 37.58 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.48 -0.762 . . . . 0.0 109.062 179.669 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 46.0 p-90 -56.42 -30.96 63.45 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.115 -0.991 . . . . 0.0 110.523 -179.563 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -61.37 -40.56 94.76 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.834 -1.166 . . . . 0.0 109.594 179.875 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.65 -48.12 64.82 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.264 -0.897 . . . . 0.0 109.218 -179.591 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 78.3 mtm -62.24 -40.58 96.65 Favored 'General case' 0 C--N 1.301 -1.51 0 C-N-CA 119.63 -0.828 . . . . 0.0 109.942 -179.82 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.504 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -58.69 -45.56 89.18 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.15 -0.969 . . . . 0.0 109.561 -179.628 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 25.5 t -70.2 -36.66 74.76 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.303 -0.873 . . . . 0.0 110.298 -179.637 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -60.36 -42.08 95.01 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.416 -0.802 . . . . 0.0 110.189 -178.893 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -108.87 1.07 20.58 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.528 -0.732 . . . . 0.0 110.31 -179.832 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.504 ' N ' ' O ' ' A' ' 23' ' ' ALA . 95.5 m-20 55.75 49.95 15.2 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.165 -0.959 . . . . 0.0 110.27 179.405 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 77.8 mt -116.11 150.62 45.48 Favored Pre-proline 0 N--CA 1.497 1.907 0 N-CA-C 107.609 -1.256 . . . . 0.0 107.609 179.4 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -60.52 152.97 64.35 Favored 'Trans proline' 0 C--N 1.307 -1.614 0 C-N-CA 121.411 1.407 . . . . 0.0 111.484 -179.667 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -45.55 -37.51 15.25 Favored 'Trans proline' 0 C--N 1.31 -1.467 0 C-N-CA 121.923 1.749 . . . . 0.0 112.053 179.869 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.464 HG11 HD11 ' B' ' 5' ' ' ILE . 60.0 t -53.77 -49.27 58.83 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.792 0 O-C-N 120.837 -1.164 . . . . 0.0 110.685 -178.272 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 58.5 t -66.84 -48.74 78.9 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.768 0 C-N-CA 118.383 -1.327 . . . . 0.0 109.442 -178.581 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.61 -42.16 87.27 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.32 -0.863 . . . . 0.0 110.027 179.689 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.0 mtpm? -62.27 -36.02 80.77 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 120.765 -1.209 . . . . 0.0 109.889 179.715 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.433 ' HG3' HG13 ' B' ' 31' ' ' VAL . 15.5 tm-20 -60.05 -38.63 83.36 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 121.255 -0.903 . . . . 0.0 109.385 -179.008 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 69.0 mt -59.84 -39.89 81.2 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 120.957 -1.089 . . . . 0.0 108.807 179.428 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 92.5 t -63.25 -40.03 87.49 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 178.944 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.04 -30.56 70.39 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.428 -0.795 . . . . 0.0 109.531 179.446 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 64.1 m -81.45 -24.04 37.09 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.181 -0.949 . . . . 0.0 109.692 -179.544 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 42.7 t -85.1 105.78 16.09 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.09 -1.006 . . . . 0.0 109.585 -179.872 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -62.32 -29.91 70.78 Favored 'General case' 0 C--N 1.301 -1.542 0 C-N-CA 120.072 -0.651 . . . . 0.0 109.882 179.907 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -70.45 -41.32 72.98 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.144 -0.973 . . . . 0.0 110.615 -178.922 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 85.0 m -87.24 -25.78 23.82 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 120.861 -1.149 . . . . 0.0 110.356 -179.986 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 . . . . . 0 N--CA 1.498 1.974 0 O-C-N 120.995 -1.065 . . . . 0.0 109.089 -179.043 . . . . . . . . 0 0 . 1 . 038 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 . . . . . 0 N--CA 1.492 1.633 0 CA-C-O 121.821 0.819 . . . . 0.0 109.853 . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 20.3 mt -69.58 -31.06 68.99 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.475 -0.765 . . . . 0.0 110.737 -177.912 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . 0.52 ' OD1' ' N ' ' B' ' 3' ' ' ASP . 18.6 p-10 -65.21 -58.39 6.09 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.854 -1.154 . . . . 0.0 111.226 -178.921 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.88 -41.14 97.61 Favored Glycine 0 N--CA 1.499 2.871 0 N-CA-C 110.282 -1.127 . . . . 0.0 110.282 -178.626 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . 0.464 HD11 HG11 ' A' ' 31' ' ' VAL . 92.6 mt -60.71 -39.91 83.15 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 O-C-N 121.263 -1.139 . . . . 0.0 110.349 -179.627 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -55.85 -45.23 78.5 Favored 'General case' 0 C--N 1.298 -1.642 0 C-N-CA 118.933 -1.107 . . . . 0.0 108.999 -178.906 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 47.1 mtmt -69.92 -42.24 73.57 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.148 -0.97 . . . . 0.0 109.232 178.941 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.45 -37.32 82.77 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 121.354 -0.841 . . . . 0.0 109.605 -179.954 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 55.4 tt0 -56.73 -41.99 78.44 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.516 -0.74 . . . . 0.0 109.678 -179.402 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -62.57 -42.81 99.78 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.124 -0.985 . . . . 0.0 108.988 179.554 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 28.1 tp10 -60.9 -40.03 91.54 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 120.897 -1.127 . . . . 0.0 108.619 178.934 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 12' ' ' HIS . . . . . 0.531 ' O ' ' N ' ' B' ' 16' ' ' HIS . 12.6 t60 -60.41 -47.36 86.44 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.235 -0.916 . . . . 0.0 109.858 179.806 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -60.26 -40.52 90.62 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.144 -0.973 . . . . 0.0 110.265 -179.717 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp -63.86 -30.44 71.53 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.331 -0.855 . . . . 0.0 112.746 -178.604 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -140.15 -8.94 1.16 Allowed 'General case' 0 N--CA 1.508 2.435 0 O-C-N 120.701 -1.249 . . . . 0.0 112.799 -177.109 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.531 ' N ' ' O ' ' B' ' 12' ' ' HIS . 90.3 m-70 55.77 43.35 27.95 Favored 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 107.175 -1.417 . . . . 0.0 107.175 -177.117 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 95.0 p -68.28 158.87 32.44 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.633 -0.667 . . . . 0.0 110.342 -178.618 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -73.0 157.93 36.45 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.378 -0.826 . . . . 0.0 109.43 179.886 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 43.4 p-90 -56.27 -30.1 62.0 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.338 -0.851 . . . . 0.0 110.653 -179.557 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -62.64 -40.13 96.05 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.067 -1.021 . . . . 0.0 109.665 -179.926 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.08 -48.88 61.57 Favored 'General case' 0 C--N 1.297 -1.702 0 O-C-N 121.516 -0.74 . . . . 0.0 109.151 179.965 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 78.0 mtm -61.61 -40.08 93.55 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.512 -0.743 . . . . 0.0 109.794 -179.943 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.508 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -59.51 -45.47 91.64 Favored 'General case' 0 N--CA 1.49 1.566 0 C-N-CA 119.244 -0.982 . . . . 0.0 109.613 -179.649 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 32.8 t -69.94 -37.26 75.82 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.271 -0.893 . . . . 0.0 110.311 179.798 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -59.43 -41.76 90.29 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.256 -0.902 . . . . 0.0 109.843 -178.836 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -109.71 2.83 20.37 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.275 -0.891 . . . . 0.0 109.959 -179.757 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.508 ' N ' ' O ' ' B' ' 23' ' ' ALA . 97.8 m-20 53.35 49.84 18.85 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.294 -0.879 . . . . 0.0 110.089 179.39 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 77.3 mt -115.39 151.47 45.98 Favored Pre-proline 0 N--CA 1.497 1.913 0 N-CA-C 107.437 -1.32 . . . . 0.0 107.437 179.123 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -60.77 153.64 61.16 Favored 'Trans proline' 0 C--N 1.311 -1.429 0 C-N-CA 121.655 1.57 . . . . 0.0 111.664 -179.813 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_exo -46.19 -38.37 19.61 Favored 'Trans proline' 0 C--N 1.312 -1.377 0 C-N-CA 121.776 1.651 . . . . 0.0 111.897 179.619 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.433 HG13 ' HG3' ' A' ' 35' ' ' GLU . 61.4 t -53.0 -49.32 49.84 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.789 0 O-C-N 120.959 -1.088 . . . . 0.0 110.791 -178.653 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 59.9 t -67.21 -48.62 77.86 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.71 0 C-N-CA 118.188 -1.405 . . . . 0.0 109.47 -178.656 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.78 -41.26 87.98 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.087 -1.008 . . . . 0.0 110.057 -179.806 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 10.0 mtpm? -62.48 -36.43 82.48 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.905 -1.122 . . . . 0.0 109.997 179.397 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . 0.452 ' HG3' HG13 ' A' ' 31' ' ' VAL . 15.7 tm-20 -59.8 -37.59 79.55 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 120.999 -1.063 . . . . 0.0 109.52 -179.126 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 65.2 mt -59.87 -40.1 81.84 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.103 -0.998 . . . . 0.0 108.803 179.098 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 86.1 t -64.06 -39.7 86.39 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.403 0 N-CA-C 108.493 -0.929 . . . . 0.0 108.493 179.051 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . 0.447 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -61.22 -30.05 70.2 Favored 'General case' 0 C--N 1.3 -1.561 0 C-N-CA 119.801 -0.76 . . . . 0.0 109.496 179.534 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 56.0 m -81.53 -23.44 37.26 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.902 -1.124 . . . . 0.0 109.76 -179.962 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 42.4 t -85.65 104.52 15.46 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.182 -0.949 . . . . 0.0 109.776 -179.759 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 58.7 m-20 -60.8 -30.67 70.2 Favored 'General case' 0 C--N 1.299 -1.625 0 O-C-N 121.353 -0.842 . . . . 0.0 110.094 179.884 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -70.15 -42.2 72.85 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.012 -1.055 . . . . 0.0 110.782 -178.791 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 90.2 m -85.87 -24.99 26.46 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.881 -1.137 . . . . 0.0 110.263 -179.716 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . 0.447 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 7.0 tt0 . . . . . 0 N--CA 1.493 1.695 0 O-C-N 120.919 -1.113 . . . . 0.0 109.408 -179.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.427 ' O ' HD12 ' A' ' 5' ' ' ILE . 62.2 m-85 . . . . . 0 N--CA 1.491 1.606 0 CA-C-O 121.428 0.633 . . . . 0.0 109.744 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 19.3 mt -72.67 -28.96 63.02 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.494 -0.754 . . . . 0.0 111.32 -178.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -61.89 -56.63 17.29 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 120.784 -1.198 . . . . 0.0 111.505 -178.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.91 -41.81 99.8 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.849 -1.3 . . . . 0.0 109.849 -179.324 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.427 HD12 ' O ' ' A' ' 1' ' ' PHE . 95.2 mt -59.5 -40.04 80.83 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.522 0 O-C-N 121.496 -1.002 . . . . 0.0 110.682 -179.58 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 63.5 t0 -55.35 -49.12 73.07 Favored 'General case' 0 C--N 1.303 -1.418 0 C-N-CA 118.809 -1.156 . . . . 0.0 108.975 -179.285 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 58.8 mttp -69.08 -40.38 78.48 Favored 'General case' 0 C--N 1.302 -1.467 0 C-N-CA 119.077 -1.049 . . . . 0.0 109.313 178.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.22 -37.13 83.09 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.379 -0.826 . . . . 0.0 110.015 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 57.7 tt0 -59.08 -40.21 84.53 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.089 -1.007 . . . . 0.0 109.29 -179.165 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 -61.93 -42.32 98.97 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.004 -1.06 . . . . 0.0 109.102 179.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 26.8 tp10 -60.7 -40.54 92.6 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.119 -0.988 . . . . 0.0 108.746 179.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.526 ' O ' ' N ' ' A' ' 16' ' ' HIS . 14.4 t60 -59.89 -45.95 90.89 Favored 'General case' 0 C--N 1.304 -1.408 0 C-N-CA 119.37 -0.932 . . . . 0.0 109.711 179.67 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -61.16 -41.49 96.87 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.463 -0.773 . . . . 0.0 110.426 -179.304 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.3 mtpp -61.33 -38.24 86.18 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.366 -0.834 . . . . 0.0 112.7 -178.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -134.36 -2.04 2.82 Favored 'General case' 0 N--CA 1.507 2.398 0 O-C-N 120.867 -1.146 . . . . 0.0 112.414 -176.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.526 ' N ' ' O ' ' A' ' 12' ' ' HIS . 81.3 m-70 53.85 40.31 31.39 Favored 'General case' 0 N--CA 1.494 1.775 0 N-CA-C 107.214 -1.402 . . . . 0.0 107.214 -177.373 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 89.9 p -60.68 156.33 17.03 Favored 'General case' 0 C--N 1.305 -1.357 0 C-N-CA 120.161 -0.616 . . . . 0.0 110.282 -178.496 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -75.01 161.51 29.4 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.347 -0.846 . . . . 0.0 109.116 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 33.8 p-90 -57.87 -30.15 65.6 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.11 -0.993 . . . . 0.0 110.262 -179.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -62.49 -40.14 95.75 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.868 -1.145 . . . . 0.0 110.324 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.82 -48.87 57.38 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.218 -0.926 . . . . 0.0 109.358 -179.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 79.3 mtm -60.22 -39.75 87.75 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.386 -0.821 . . . . 0.0 109.852 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -59.15 -46.54 88.1 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.172 -0.955 . . . . 0.0 109.044 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 73.1 m -69.69 -37.39 76.61 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.452 -0.78 . . . . 0.0 110.44 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -60.56 -40.58 92.18 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.23 -0.918 . . . . 0.0 110.612 -178.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -111.61 4.99 19.07 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.44 -0.787 . . . . 0.0 109.701 -179.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.433 ' N ' ' O ' ' A' ' 23' ' ' ALA . 82.1 m-20 54.58 42.69 31.13 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.508 -0.745 . . . . 0.0 109.823 179.505 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 69.8 mt -107.63 151.45 41.06 Favored Pre-proline 0 N--CA 1.501 2.091 0 N-CA-C 108.493 -0.929 . . . . 0.0 108.493 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_endo -60.07 162.04 17.66 Favored 'Trans proline' 0 N--CA 1.494 1.534 0 C-N-CA 121.781 1.654 . . . . 0.0 111.177 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_endo -56.67 -34.45 95.87 Favored 'Trans proline' 0 C--N 1.303 -1.817 0 C-N-CA 122.233 1.955 . . . . 0.0 111.379 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 55.0 t -54.45 -49.75 63.1 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.633 0 O-C-N 121.054 -1.029 . . . . 0.0 110.171 -179.287 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 93.3 t -66.85 -48.6 79.3 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.745 0 C-N-CA 118.614 -1.234 . . . . 0.0 109.7 -179.195 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.46 -43.27 90.86 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.383 -0.823 . . . . 0.0 110.187 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.7 mtpm? -61.25 -36.99 81.5 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 120.836 -1.165 . . . . 0.0 110.473 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.3 tm-20 -61.77 -38.13 86.89 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 119.025 -1.07 . . . . 0.0 110.371 -178.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 77.5 mt -59.85 -40.23 82.15 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 120.745 -1.222 . . . . 0.0 108.387 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 90.4 t -64.1 -38.33 82.16 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.576 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 178.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.403 ' O ' ' OE1' ' A' ' 44' ' ' GLN . . . -60.21 -33.38 72.17 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.488 -0.757 . . . . 0.0 109.851 179.696 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 25.5 m -80.2 -25.92 39.44 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.936 -1.103 . . . . 0.0 109.435 -179.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 44.7 t -81.11 103.98 11.28 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.384 -0.822 . . . . 0.0 109.694 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -60.96 -30.88 70.51 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.474 -0.766 . . . . 0.0 110.828 -179.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -71.15 -41.19 70.75 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.817 -1.177 . . . . 0.0 110.676 -178.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 90.5 m -85.12 -23.53 28.4 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.953 -1.092 . . . . 0.0 109.656 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.403 ' OE1' ' O ' ' A' ' 38' ' ' ALA . 58.6 tt0 -75.08 -68.94 0.5 Allowed 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.235 -0.916 . . . . 0.0 110.144 -179.436 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 65.0 mt -81.83 104.59 12.32 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.152 -0.967 . . . . 0.0 109.571 -179.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -101.22 65.96 1.1 Allowed 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.368 -0.832 . . . . 0.0 109.016 179.417 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 60.3 -124.96 37.44 Favored Glycine 0 N--CA 1.493 2.476 0 N-CA-C 109.585 -1.406 . . . . 0.0 109.585 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.555 ' O ' ' N ' ' A' ' 50' ' ' MET . 38.7 tt0 46.52 -113.98 0.48 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.204 -1.174 . . . . 0.0 109.525 179.659 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 49.42 -86.07 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.257 -0.902 . . . . 0.0 110.19 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.555 ' N ' ' O ' ' A' ' 48' ' ' GLU . 57.9 mtt -145.01 -113.26 0.09 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.36 -0.838 . . . . 0.0 109.499 -179.659 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 72.7 t60 53.48 49.7 19.0 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.23 -0.919 . . . . 0.0 108.955 -179.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -56.12 -172.66 0.14 Allowed Glycine 0 N--CA 1.49 2.257 0 N-CA-C 109.432 -1.467 . . . . 0.0 109.432 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.432 ' O ' ' O ' ' A' ' 54' ' ' VAL . 82.4 mt-30 -92.24 21.79 4.92 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.191 -1.182 . . . . 0.0 109.031 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.432 ' O ' ' O ' ' A' ' 53' ' ' GLN . 2.7 t 58.53 156.4 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 O-C-N 121.64 -0.662 . . . . 0.0 109.519 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 55.8 t0 . . . . . 0 N--CA 1.493 1.686 0 CA-C-O 118.056 -0.973 . . . . 0.0 109.576 -179.777 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . 0.459 ' O ' HD12 ' B' ' 5' ' ' ILE . 62.5 m-85 . . . . . 0 N--CA 1.492 1.631 0 CA-C-O 121.531 0.681 . . . . 0.0 109.861 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 20.8 mt -72.9 -28.51 62.52 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.39 -0.819 . . . . 0.0 111.148 -178.328 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -62.21 -56.97 13.35 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 120.765 -1.21 . . . . 0.0 111.51 -178.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.76 -41.28 99.87 Favored Glycine 0 N--CA 1.493 2.477 0 N-CA-C 109.847 -1.301 . . . . 0.0 109.847 -179.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.459 HD12 ' O ' ' B' ' 1' ' ' PHE . 93.6 mt -60.21 -39.94 82.15 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.598 0 O-C-N 121.387 -1.067 . . . . 0.0 110.633 -179.557 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 66.0 t0 -55.1 -49.15 72.43 Favored 'General case' 0 C--N 1.301 -1.538 0 C-N-CA 118.861 -1.136 . . . . 0.0 108.845 -179.195 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 58.6 mttp -69.59 -39.8 77.08 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.093 -1.005 . . . . 0.0 109.275 179.094 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.52 -37.36 82.66 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.456 -0.777 . . . . 0.0 109.905 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . 0.427 ' N ' ' O ' ' B' ' 5' ' ' ILE . 58.3 tt0 -59.06 -39.68 82.8 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.071 -1.018 . . . . 0.0 109.573 -179.007 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 78.4 tt0 -62.27 -42.91 99.75 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.152 -0.968 . . . . 0.0 108.827 179.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 26.4 tp10 -60.0 -40.43 89.2 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.253 -0.904 . . . . 0.0 108.867 179.253 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . 0.554 ' O ' ' N ' ' B' ' 16' ' ' HIS . 14.0 t60 -60.23 -45.6 92.67 Favored 'General case' 0 C--N 1.305 -1.365 0 C-N-CA 119.295 -0.962 . . . . 0.0 109.614 179.731 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.15 -41.98 97.73 Favored 'General case' 0 C--N 1.296 -1.738 0 O-C-N 121.414 -0.804 . . . . 0.0 110.313 -179.129 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 26.3 mtpp -61.09 -37.95 84.52 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.459 -0.776 . . . . 0.0 112.911 -178.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -134.63 -2.2 2.72 Favored 'General case' 0 N--CA 1.506 2.331 0 O-C-N 120.984 -1.073 . . . . 0.0 112.361 -176.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.554 ' N ' ' O ' ' B' ' 12' ' ' HIS . 81.7 m-70 54.09 40.46 31.67 Favored 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 107.14 -1.43 . . . . 0.0 107.14 -177.451 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 87.1 p -60.81 156.26 17.56 Favored 'General case' 0 C--N 1.303 -1.425 0 C-N-CA 119.966 -0.694 . . . . 0.0 110.314 -178.266 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 18.8 m120 -74.59 160.96 30.18 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.459 -0.775 . . . . 0.0 109.08 179.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 34.6 p-90 -57.4 -30.51 64.99 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.034 -1.041 . . . . 0.0 110.266 -179.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -61.92 -40.45 95.54 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.987 -1.071 . . . . 0.0 110.266 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.82 -48.75 57.83 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.176 -0.953 . . . . 0.0 109.591 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 79.0 mtm -60.55 -39.73 88.98 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.318 -0.864 . . . . 0.0 109.665 -179.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.435 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -59.45 -46.0 90.01 Favored 'General case' 0 N--CA 1.491 1.592 0 C-N-CA 119.328 -0.949 . . . . 0.0 109.114 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 73.1 m -69.81 -37.43 76.26 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.409 -0.807 . . . . 0.0 110.428 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -60.46 -40.33 90.84 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.431 -0.793 . . . . 0.0 110.767 -178.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -111.76 5.0 18.84 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.516 -0.74 . . . . 0.0 109.847 -179.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.435 ' N ' ' O ' ' B' ' 23' ' ' ALA . 81.1 m-20 54.52 42.32 31.4 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.508 -0.745 . . . . 0.0 109.859 179.602 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 68.4 mt -107.24 151.18 40.72 Favored Pre-proline 0 N--CA 1.502 2.152 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 179.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_endo -60.02 162.03 17.54 Favored 'Trans proline' 0 N--CA 1.493 1.487 0 C-N-CA 121.862 1.708 . . . . 0.0 111.185 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_endo -56.39 -34.58 94.74 Favored 'Trans proline' 0 C--N 1.304 -1.777 0 C-N-CA 122.243 1.962 . . . . 0.0 111.43 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 55.7 t -54.41 -49.36 65.45 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.646 0 O-C-N 121.192 -0.943 . . . . 0.0 110.057 -179.201 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 92.6 t -67.39 -48.74 76.56 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.756 0 C-N-CA 118.633 -1.227 . . . . 0.0 109.644 -179.196 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.52 -42.92 91.48 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.383 -0.823 . . . . 0.0 110.278 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 10.7 mtpm? -61.41 -36.96 81.76 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.864 -1.148 . . . . 0.0 110.461 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 14.7 tm-20 -61.58 -38.62 88.19 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 120.952 -1.092 . . . . 0.0 110.349 -178.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 79.2 mt -59.25 -40.59 81.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 120.683 -1.261 . . . . 0.0 108.248 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 88.9 t -63.94 -38.64 82.91 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.587 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 178.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . 0.553 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -59.96 -33.48 71.98 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.551 -0.718 . . . . 0.0 109.798 179.607 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 25.4 m -80.18 -25.99 39.47 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.981 -1.074 . . . . 0.0 109.395 -179.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 47.4 t -81.12 104.51 11.65 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.335 -0.853 . . . . 0.0 109.667 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -61.37 -30.66 70.67 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.384 -0.822 . . . . 0.0 110.825 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 65.0 mttm -71.1 -40.97 71.19 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.647 -1.283 . . . . 0.0 110.76 -178.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 89.8 m -85.36 -23.7 27.91 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.922 -1.112 . . . . 0.0 109.645 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . 0.553 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 7.1 tt0 -74.92 -69.0 0.49 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.124 -0.985 . . . . 0.0 110.014 -179.383 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 62.5 mt -81.77 104.45 12.17 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.025 -1.047 . . . . 0.0 109.652 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -101.25 66.39 1.11 Allowed 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.372 -0.83 . . . . 0.0 109.158 179.421 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 60.27 -125.67 39.36 Favored Glycine 0 N--CA 1.494 2.526 0 N-CA-C 109.378 -1.489 . . . . 0.0 109.378 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . 0.543 ' O ' ' N ' ' B' ' 50' ' ' MET . 38.2 tt0 47.02 -114.74 0.56 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.165 -1.197 . . . . 0.0 109.502 179.549 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . 50.16 -87.49 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.257 -0.902 . . . . 0.0 110.121 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . 0.543 ' N ' ' O ' ' B' ' 48' ' ' GLU . 58.5 mtt -143.92 -113.64 0.1 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.307 -0.871 . . . . 0.0 109.344 -179.657 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 71.0 t60 53.95 49.63 18.55 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.251 -0.906 . . . . 0.0 109.046 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -56.33 -171.56 0.13 Allowed Glycine 0 N--CA 1.489 2.17 0 N-CA-C 109.316 -1.514 . . . . 0.0 109.316 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . 0.414 ' O ' ' O ' ' B' ' 54' ' ' VAL . 82.7 mt-30 -93.27 21.72 5.78 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.198 -1.178 . . . . 0.0 109.011 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.414 ' O ' ' O ' ' B' ' 53' ' ' GLN . 2.8 t 58.77 157.19 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.704 -0.622 . . . . 0.0 109.475 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 57.0 t0 . . . . . 0 N--CA 1.491 1.611 0 O-C-N 121.078 -1.014 . . . . 0.0 109.394 179.992 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 . . . . . 0 N--CA 1.487 1.414 0 CA-C-O 121.599 0.714 . . . . 0.0 109.686 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 33.7 mt -70.48 -38.5 74.4 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.466 -0.771 . . . . 0.0 111.367 -178.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -63.27 -46.96 84.37 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.744 -1.222 . . . . 0.0 110.274 -178.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.13 -47.53 72.14 Favored Glycine 0 N--CA 1.492 2.418 0 N-CA-C 109.651 -1.379 . . . . 0.0 109.651 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.547 HD11 HG11 ' B' ' 31' ' ' VAL . 81.6 mt -59.4 -39.78 79.96 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.71 0 O-C-N 121.61 -0.936 . . . . 0.0 111.14 -179.609 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -53.97 -46.7 71.73 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.723 -1.235 . . . . 0.0 109.148 -179.174 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -69.51 -43.23 73.5 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 120.884 -1.135 . . . . 0.0 109.726 178.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.31 -35.32 79.2 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.16 -0.963 . . . . 0.0 109.95 179.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -59.46 -39.66 84.35 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.142 -0.974 . . . . 0.0 109.256 -179.625 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -60.96 -40.86 94.94 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.199 -0.938 . . . . 0.0 109.051 179.025 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.4 tm-20 -61.71 -42.23 98.67 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.365 -0.834 . . . . 0.0 109.251 179.518 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.552 ' O ' ' N ' ' A' ' 16' ' ' HIS . 22.2 t60 -60.45 -45.51 93.43 Favored 'General case' 0 N--CA 1.486 1.362 0 O-C-N 121.086 -1.009 . . . . 0.0 109.747 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.13 -44.13 95.15 Favored 'General case' 0 C--N 1.298 -1.672 0 O-C-N 121.221 -0.924 . . . . 0.0 110.327 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.7 mtpp -62.11 -32.87 73.49 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.2 -0.938 . . . . 0.0 112.953 -178.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 27.4 m-85 -139.21 -1.65 1.72 Allowed 'General case' 0 N--CA 1.508 2.429 0 O-C-N 120.624 -1.298 . . . . 0.0 112.464 -177.105 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.552 ' N ' ' O ' ' A' ' 12' ' ' HIS . 89.7 m-70 54.76 39.71 31.52 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.498 -1.377 . . . . 0.0 107.317 -178.026 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 95.6 p -60.2 156.49 15.23 Favored 'General case' 0 C--N 1.303 -1.441 0 CA-C-O 121.39 0.614 . . . . 0.0 110.732 -178.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -74.1 155.88 38.0 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 179.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 39.5 p-90 -56.2 -29.83 61.46 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.958 -1.089 . . . . 0.0 109.561 -179.484 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 55.9 mtp180 -62.86 -40.23 96.85 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.834 -1.166 . . . . 0.0 109.868 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.21 -48.59 61.59 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.172 -0.955 . . . . 0.0 108.964 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 77.1 mtm -59.97 -41.46 92.02 Favored 'General case' 0 N--CA 1.49 1.53 0 C-N-CA 119.43 -0.908 . . . . 0.0 109.237 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -58.11 -46.0 86.31 Favored 'General case' 0 C--N 1.297 -1.701 0 C-N-CA 118.864 -1.134 . . . . 0.0 109.56 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 18.6 t -70.65 -38.02 73.78 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.345 -0.847 . . . . 0.0 111.212 -179.313 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -59.64 -43.05 93.99 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.075 -1.016 . . . . 0.0 109.907 -178.46 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -107.25 1.22 23.76 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.6 -0.687 . . . . 0.0 110.378 -179.493 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.453 ' N ' ' O ' ' A' ' 23' ' ' ALA . 66.9 t30 55.45 52.14 11.74 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.152 -0.967 . . . . 0.0 110.138 179.225 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 90.4 mt -118.61 150.59 48.46 Favored Pre-proline 0 N--CA 1.498 1.969 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 179.567 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_endo -59.97 149.27 85.08 Favored 'Trans proline' 0 N--CA 1.493 1.462 0 C-N-CA 121.934 1.756 . . . . 0.0 112.053 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.502 ' O ' ' N ' ' A' ' 34' ' ' LYS . 31.6 Cg_exo -43.24 -35.78 5.54 Favored 'Trans proline' 0 N--CA 1.486 1.047 0 C-N-CA 121.767 1.645 . . . . 0.0 112.029 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.59 HG11 HD11 ' B' ' 5' ' ' ILE . 88.8 t -52.8 -50.33 43.18 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.863 0 O-C-N 121.302 -0.874 . . . . 0.0 110.146 -178.099 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 47.4 t -67.1 -49.76 70.2 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.669 0 C-N-CA 118.578 -1.249 . . . . 0.0 109.495 -178.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.71 -41.87 91.81 Favored 'General case' 0 C--N 1.303 -1.448 0 C-N-CA 119.631 -0.828 . . . . 0.0 109.798 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.502 ' N ' ' O ' ' A' ' 30' ' ' PRO . 1.9 mmmp? -61.77 -38.11 86.82 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.005 -1.059 . . . . 0.0 110.233 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.6 tm-20 -61.15 -38.32 86.02 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 120.895 -1.128 . . . . 0.0 109.337 -178.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 81.2 mt -59.88 -39.88 81.25 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.342 0 O-C-N 121.092 -1.005 . . . . 0.0 109.678 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 71.2 t -63.43 -39.92 87.11 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.465 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 179.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.401 ' O ' ' OE1' ' A' ' 44' ' ' GLN . . . -61.1 -30.61 70.46 Favored 'General case' 0 C--N 1.301 -1.522 0 CA-C-O 121.378 0.609 . . . . 0.0 110.288 179.41 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.1 m -80.85 -20.5 42.24 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 120.824 -1.173 . . . . 0.0 109.965 -178.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 43.7 t -85.03 107.12 17.0 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.365 -0.834 . . . . 0.0 109.212 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -60.05 -32.59 71.07 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.348 -0.845 . . . . 0.0 110.259 -179.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 58.5 mttm -70.9 -42.91 69.35 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 120.989 -1.069 . . . . 0.0 110.935 -178.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 94.0 m -86.34 -23.68 26.13 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.447 -1.408 . . . . 0.0 109.754 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.401 ' OE1' ' O ' ' A' ' 38' ' ' ALA . 13.9 tt0 -78.52 -71.82 0.41 Allowed 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.157 -0.965 . . . . 0.0 109.193 -179.526 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 32.5 mt -81.93 94.73 7.18 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.585 -1.322 . . . . 0.0 109.214 179.333 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 63.7 mttm -89.11 9.81 24.11 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.432 -0.792 . . . . 0.0 109.218 179.389 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.07 30.55 22.64 Favored Glycine 0 N--CA 1.497 2.73 0 N-CA-C 109.794 -1.322 . . . . 0.0 109.794 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -81.82 -8.92 59.73 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.252 -1.146 . . . . 0.0 110.585 -179.264 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.694 ' HB3' ' HB3' ' B' ' 49' ' ' ALA . . . -101.8 59.69 0.86 Allowed 'General case' 0 N--CA 1.504 2.23 0 O-C-N 121.088 -1.007 . . . . 0.0 110.28 -179.681 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 64.0 mtt -74.94 129.29 37.39 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.136 -0.977 . . . . 0.0 109.938 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 76.9 t60 -59.58 -44.12 93.42 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.225 -0.922 . . . . 0.0 109.252 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 135.11 162.17 9.65 Favored Glycine 0 N--CA 1.495 2.584 0 N-CA-C 108.428 -1.869 . . . . 0.0 108.428 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.414 ' O ' ' O ' ' A' ' 54' ' ' VAL . 13.7 pt20 -90.38 15.47 10.55 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.091 -1.24 . . . . 0.0 109.65 -179.792 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.414 ' O ' ' O ' ' A' ' 53' ' ' GLN . 8.8 t 56.84 164.65 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.484 -0.76 . . . . 0.0 109.839 179.252 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 61.6 t0 . . . . . 0 N--CA 1.495 1.811 0 CA-C-O 118.187 -0.911 . . . . 0.0 109.884 -179.066 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 121.319 0.581 . . . . 0.0 109.942 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 34.7 mt -70.54 -37.6 74.07 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.367 -0.833 . . . . 0.0 111.583 -178.551 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -63.94 -46.32 85.25 Favored 'General case' 0 C--N 1.298 -1.632 0 O-C-N 120.838 -1.164 . . . . 0.0 110.371 -178.517 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.49 -47.32 63.39 Favored Glycine 0 N--CA 1.492 2.418 0 N-CA-C 109.469 -1.452 . . . . 0.0 109.469 -179.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.59 HD11 HG11 ' A' ' 31' ' ' VAL . 82.3 mt -59.01 -39.35 78.12 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.559 0 O-C-N 121.557 -0.967 . . . . 0.0 110.331 179.791 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 79.5 m-20 -54.2 -47.52 72.0 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 118.424 -1.31 . . . . 0.0 108.951 -179.108 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -69.36 -41.69 76.24 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.904 -1.122 . . . . 0.0 110.051 179.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.7 -35.44 77.19 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.067 -1.021 . . . . 0.0 109.582 179.484 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . 0.409 ' N ' ' O ' ' B' ' 5' ' ' ILE . 55.3 tt0 -57.83 -40.67 80.59 Favored 'General case' 0 C--N 1.302 -1.458 0 C-N-CA 119.171 -1.012 . . . . 0.0 109.237 -179.581 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -60.16 -42.0 93.97 Favored 'General case' 0 N--CA 1.491 1.575 0 C-N-CA 119.602 -0.839 . . . . 0.0 109.154 178.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -60.51 -41.36 94.18 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 120.774 -1.204 . . . . 0.0 109.215 179.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . 0.536 ' O ' ' N ' ' B' ' 16' ' ' HIS . 20.6 t60 -60.9 -46.22 91.5 Favored 'General case' 0 C--N 1.3 -1.55 0 C-N-CA 119.404 -0.919 . . . . 0.0 110.083 -179.673 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -60.22 -41.14 92.42 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.229 -0.919 . . . . 0.0 110.329 -179.309 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . 0.403 ' HB3' ' CE2' ' B' ' 15' ' ' TYR . 26.1 mtpp -64.34 -33.03 74.91 Favored 'General case' 0 C--N 1.297 -1.682 0 O-C-N 121.303 -0.873 . . . . 0.0 112.859 -178.55 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' TYR . . . . . 0.403 ' CE2' ' HB3' ' B' ' 14' ' ' LYS . 31.7 m-85 -139.62 -1.92 1.61 Allowed 'General case' 0 N--CA 1.508 2.46 0 O-C-N 120.764 -1.21 . . . . 0.0 112.383 -176.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.536 ' N ' ' O ' ' B' ' 12' ' ' HIS . 90.0 m-70 55.31 40.81 31.6 Favored 'General case' 0 N--CA 1.491 1.582 0 N-CA-C 106.932 -1.507 . . . . 0.0 106.932 -178.076 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 92.8 p -61.08 155.35 20.62 Favored 'General case' 0 N--CA 1.492 1.664 0 CA-C-O 121.581 0.705 . . . . 0.0 110.576 -178.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -73.21 157.57 36.89 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.484 -0.76 . . . . 0.0 108.981 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 46.0 p-90 -57.31 -29.89 64.29 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.837 -1.164 . . . . 0.0 109.535 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 55.6 mtp180 -61.97 -40.44 95.6 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.015 -1.053 . . . . 0.0 109.829 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.44 -48.49 60.77 Favored 'General case' 0 C--N 1.302 -1.493 0 C-N-CA 119.253 -0.979 . . . . 0.0 109.282 179.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 78.5 mtm -60.44 -40.84 92.56 Favored 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 119.441 -0.903 . . . . 0.0 109.746 -179.188 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -59.05 -45.98 89.4 Favored 'General case' 0 C--N 1.295 -1.797 0 O-C-N 120.992 -1.067 . . . . 0.0 109.539 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 23.2 t -70.38 -38.84 74.8 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.181 -0.95 . . . . 0.0 110.685 -179.534 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -58.91 -42.27 89.25 Favored 'General case' 0 N--CA 1.494 1.741 0 C-N-CA 119.468 -0.893 . . . . 0.0 110.334 -178.356 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -107.89 1.1 22.47 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.422 -0.799 . . . . 0.0 109.997 -179.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.444 ' N ' ' O ' ' B' ' 23' ' ' ALA . 67.1 t30 55.8 53.12 9.79 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.126 -0.983 . . . . 0.0 110.083 179.74 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 86.6 mt -119.37 151.42 51.24 Favored Pre-proline 0 N--CA 1.501 2.081 0 N-CA-C 108.188 -1.041 . . . . 0.0 108.188 179.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_endo -60.69 150.71 80.96 Favored 'Trans proline' 0 N--CA 1.493 1.447 0 C-N-CA 121.781 1.654 . . . . 0.0 111.933 -179.353 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . 0.5 ' O ' ' N ' ' B' ' 34' ' ' LYS . 34.0 Cg_exo -43.81 -35.7 7.1 Favored 'Trans proline' 0 C--N 1.312 -1.369 0 C-N-CA 121.861 1.707 . . . . 0.0 111.722 179.612 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.547 HG11 HD11 ' A' ' 5' ' ' ILE . 86.0 t -53.02 -50.67 43.73 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.731 0 O-C-N 121.142 -0.974 . . . . 0.0 110.454 -178.072 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 46.5 t -67.25 -49.3 73.65 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.642 0 C-N-CA 118.947 -1.101 . . . . 0.0 109.118 -179.131 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.86 -42.86 89.87 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.029 -1.044 . . . . 0.0 110.15 179.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.5 ' N ' ' O ' ' B' ' 30' ' ' PRO . 2.0 mmmp? -61.56 -38.76 88.64 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 120.987 -1.07 . . . . 0.0 110.207 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 14.6 tm-20 -60.19 -38.32 82.9 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 119.07 -1.052 . . . . 0.0 109.115 -179.036 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 86.3 mt -59.88 -40.27 82.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 120.965 -1.085 . . . . 0.0 109.698 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 77.9 t -62.99 -39.44 85.21 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.658 0 O-C-N 120.93 -1.106 . . . . 0.0 108.673 179.546 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . 0.552 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -61.81 -32.1 72.38 Favored 'General case' 0 N--CA 1.49 1.551 0 CA-C-O 121.404 0.621 . . . . 0.0 109.591 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 6.3 m -78.09 -23.98 47.77 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.153 -0.967 . . . . 0.0 110.356 -179.01 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 40.4 t -82.94 107.3 15.45 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.1 -1.0 . . . . 0.0 109.841 179.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -59.97 -31.31 69.77 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.388 -0.82 . . . . 0.0 110.798 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 62.7 mttm -72.16 -40.75 67.75 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 120.898 -1.126 . . . . 0.0 110.776 -178.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 84.3 m -89.0 -23.47 22.61 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 120.774 -1.203 . . . . 0.0 109.333 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . 0.552 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 51.0 tt0 -77.4 -69.5 0.53 Allowed 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.333 -0.854 . . . . 0.0 109.645 -179.726 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 31.9 mt -84.83 96.08 9.19 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.118 -0.989 . . . . 0.0 108.948 179.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 63.0 mttm -89.8 8.96 29.26 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.097 -1.002 . . . . 0.0 109.451 179.214 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.04 31.5 17.2 Favored Glycine 0 N--CA 1.501 2.988 0 N-CA-C 109.425 -1.47 . . . . 0.0 109.425 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -83.67 -5.71 59.25 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.396 -1.061 . . . . 0.0 110.459 -179.27 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . 0.694 ' HB3' ' HB3' ' A' ' 49' ' ' ALA . . . -104.57 59.3 0.7 Allowed 'General case' 0 N--CA 1.502 2.141 0 O-C-N 121.137 -0.977 . . . . 0.0 109.581 -179.45 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 61.9 mtt -75.73 131.13 39.64 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.068 -1.02 . . . . 0.0 110.262 -179.479 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 75.2 t60 -62.16 -42.18 99.01 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.091 -1.006 . . . . 0.0 109.218 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 133.68 162.67 10.14 Favored Glycine 0 N--CA 1.493 2.496 0 N-CA-C 108.34 -1.904 . . . . 0.0 108.34 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . 0.406 ' O ' ' O ' ' B' ' 54' ' ' VAL . 12.2 pt20 -91.11 15.85 10.9 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.466 -1.02 . . . . 0.0 109.498 -179.787 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.406 ' O ' ' O ' ' B' ' 53' ' ' GLN . 12.5 t 56.76 164.3 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.617 -0.677 . . . . 0.0 110.356 179.576 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.405 ' N ' HG12 ' B' ' 54' ' ' VAL . 61.0 t0 . . . . . 0 N--CA 1.494 1.728 0 CA-C-O 118.176 -0.916 . . . . 0.0 109.66 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 . . . . . 0 N--CA 1.491 1.586 0 CA-C-O 121.358 0.599 . . . . 0.0 110.173 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 33.1 mt -72.47 -43.46 63.68 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.269 -0.894 . . . . 0.0 111.463 -177.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -66.9 -48.26 69.26 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.989 -1.069 . . . . 0.0 111.06 -178.126 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.75 -47.34 90.95 Favored Glycine 0 N--CA 1.494 2.5 0 N-CA-C 109.892 -1.283 . . . . 0.0 109.892 -179.294 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.659 HD11 HG11 ' B' ' 31' ' ' VAL . 87.1 mt -59.24 -39.87 79.82 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.511 0 O-C-N 121.345 -1.091 . . . . 0.0 110.116 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 -53.59 -43.6 68.71 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 120.81 -1.181 . . . . 0.0 109.097 -179.31 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -69.7 -45.28 68.61 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.965 -1.084 . . . . 0.0 108.985 178.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.33 -33.83 76.61 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.39 -0.819 . . . . 0.0 109.304 179.418 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.492 ' N ' ' O ' ' A' ' 5' ' ' ILE . 53.0 tt0 -58.71 -40.08 82.66 Favored 'General case' 0 C--N 1.302 -1.485 0 C-N-CA 119.367 -0.933 . . . . 0.0 109.158 -179.72 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 34.4 tp10 -62.34 -42.13 99.14 Favored 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 119.281 -0.968 . . . . 0.0 108.734 179.141 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 35.6 tp10 -60.49 -41.84 95.08 Favored 'General case' 0 N--CA 1.492 1.643 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 179.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.545 ' O ' ' N ' ' A' ' 16' ' ' HIS . 15.0 t60 -60.88 -47.8 84.72 Favored 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 119.705 -0.798 . . . . 0.0 109.909 179.635 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 32.9 tp10 -60.41 -41.35 93.73 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.287 -0.883 . . . . 0.0 110.029 -179.024 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 56.5 mtpt -60.73 -35.81 77.29 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.326 -0.859 . . . . 0.0 112.753 -178.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -136.38 -3.86 2.13 Favored 'General case' 0 N--CA 1.508 2.473 0 O-C-N 120.772 -1.205 . . . . 0.0 112.759 -177.29 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.545 ' N ' ' O ' ' A' ' 12' ' ' HIS . 87.5 m-70 54.54 43.61 30.01 Favored 'General case' 0 N--CA 1.498 1.955 0 N-CA-C 107.421 -1.326 . . . . 0.0 107.421 -177.432 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 87.3 p -64.95 155.31 34.85 Favored 'General case' 0 N--CA 1.486 1.331 0 CA-C-O 121.611 0.719 . . . . 0.0 110.626 -178.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -71.15 159.13 35.24 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.22 -0.925 . . . . 0.0 108.679 179.338 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 37.8 p-90 -56.91 -29.83 63.4 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.005 -1.059 . . . . 0.0 111.214 -178.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 62.1 mtp180 -61.56 -40.8 96.02 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.889 -1.132 . . . . 0.0 110.334 -179.635 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.54 -49.06 65.07 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.155 -0.965 . . . . 0.0 109.389 -179.602 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 78.3 mtm -60.23 -41.13 92.45 Favored 'General case' 0 C--N 1.303 -1.452 0 C-N-CA 119.588 -0.845 . . . . 0.0 109.386 179.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.51 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -58.76 -47.07 85.97 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.413 -0.804 . . . . 0.0 108.964 179.799 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 35.7 t -69.71 -38.22 76.84 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.594 -0.691 . . . . 0.0 110.464 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -60.59 -40.07 90.4 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.23 -0.919 . . . . 0.0 110.014 -179.012 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -108.93 -0.06 19.88 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.435 -0.79 . . . . 0.0 109.871 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.51 ' N ' ' O ' ' A' ' 23' ' ' ALA . 18.4 t-20 56.21 47.44 19.38 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.277 -0.889 . . . . 0.0 109.264 -179.802 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 83.4 mt -113.64 153.04 45.93 Favored Pre-proline 0 N--CA 1.501 2.086 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -60.13 163.27 14.69 Favored 'Trans proline' 0 C--N 1.314 -1.261 0 C-N-CA 121.449 1.433 . . . . 0.0 110.819 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -58.96 -32.23 97.1 Favored 'Trans proline' 0 C--N 1.296 -2.2 0 C-N-CA 122.223 1.949 . . . . 0.0 111.743 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.613 HG11 HD11 ' B' ' 5' ' ' ILE . 49.3 t -56.56 -47.71 81.57 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.693 0 O-C-N 120.715 -1.241 . . . . 0.0 109.858 -178.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 57.8 t -67.46 -50.13 64.76 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.688 0 C-N-CA 118.852 -1.139 . . . . 0.0 108.976 -179.326 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.39 -46.15 84.55 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.328 -0.857 . . . . 0.0 110.301 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.2 mtpm? -60.88 -36.1 78.34 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.776 -1.203 . . . . 0.0 109.88 179.604 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -60.87 -38.66 86.35 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 119.062 -1.055 . . . . 0.0 110.358 -178.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 48.3 mt -59.86 -39.97 81.48 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 120.921 -1.112 . . . . 0.0 108.335 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 95.5 t -61.18 -39.92 84.12 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 178.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.79 -32.05 70.26 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.54 -0.725 . . . . 0.0 109.775 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.9 m -78.88 -29.1 44.21 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.194 -0.941 . . . . 0.0 109.229 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 51.2 t -81.19 102.09 10.1 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.21 -0.931 . . . . 0.0 109.447 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -60.89 -31.24 70.73 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.213 -0.929 . . . . 0.0 110.213 -179.551 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp -67.86 -40.76 83.6 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.283 -0.886 . . . . 0.0 110.401 -178.496 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 88.4 m -86.67 -28.72 22.98 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.757 -1.215 . . . . 0.0 110.153 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 47.2 tt0 -72.07 -59.52 2.7 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.002 -1.061 . . . . 0.0 110.867 -178.428 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 92.0 mt -80.93 36.87 0.41 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.233 -0.917 . . . . 0.0 109.975 -178.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.441 ' O ' ' O ' ' A' ' 47' ' ' GLY . 51.7 tttp -81.88 116.51 21.57 Favored 'General case' 0 C--N 1.297 -1.674 0 O-C-N 121.299 -0.875 . . . . 0.0 109.453 -179.522 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.441 ' O ' ' O ' ' A' ' 46' ' ' LYS . . . 57.67 154.66 0.01 OUTLIER Glycine 0 N--CA 1.493 2.442 0 N-CA-C 110.257 -1.137 . . . . 0.0 110.257 179.648 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.4 mp0 57.46 44.14 21.84 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.495 -1.003 . . . . 0.0 110.196 179.359 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -128.65 -87.48 0.55 Allowed 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.469 -0.769 . . . . 0.0 109.114 179.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 56.2 mtt -79.66 139.01 37.54 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.093 -1.004 . . . . 0.0 109.644 -179.631 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 51.5 t-80 -58.49 -38.45 77.67 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.155 -0.965 . . . . 0.0 108.975 179.448 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.449 ' O ' ' O ' ' A' ' 53' ' ' GLN . . . 76.72 -152.16 40.47 Favored Glycine 0 N--CA 1.491 2.353 0 N-CA-C 110.48 -1.048 . . . . 0.0 110.48 179.253 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.449 ' O ' ' O ' ' A' ' 52' ' ' GLY . 90.7 mt-30 55.44 113.57 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.728 -0.866 . . . . 0.0 110.35 -179.711 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.681 HG13 ' N ' ' A' ' 55' ' ' ASP . 0.4 OUTLIER 69.5 -170.76 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.807 0 O-C-N 121.566 -0.709 . . . . 0.0 109.089 -179.804 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.681 ' N ' HG13 ' A' ' 54' ' ' VAL . 47.3 t0 . . . . . 0 C--N 1.299 -1.595 0 CA-C-O 118.021 -0.99 . . . . 0.0 109.564 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 . . . . . 0 N--CA 1.49 1.561 0 CA-C-O 121.379 0.609 . . . . 0.0 110.169 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 30.7 mt -72.27 -43.84 63.7 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.323 -0.86 . . . . 0.0 111.558 -178.032 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -66.65 -47.73 71.61 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.837 -1.164 . . . . 0.0 111.112 -178.101 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.33 -47.27 90.82 Favored Glycine 0 N--CA 1.492 2.419 0 N-CA-C 109.918 -1.273 . . . . 0.0 109.918 -179.247 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.613 HD11 HG11 ' A' ' 31' ' ' VAL . 86.8 mt -59.55 -39.05 78.34 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.516 0 O-C-N 121.595 -0.944 . . . . 0.0 110.209 -179.775 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -53.88 -43.44 69.61 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 120.682 -1.261 . . . . 0.0 109.243 -179.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -69.79 -45.1 68.72 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.072 -1.017 . . . . 0.0 108.983 179.124 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.3 -34.38 77.85 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.444 -0.785 . . . . 0.0 109.14 179.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -58.52 -40.3 82.51 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.277 -0.89 . . . . 0.0 109.075 -179.683 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 36.0 tp10 -62.06 -42.36 99.11 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.036 -1.04 . . . . 0.0 108.857 178.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 33.7 tp10 -60.77 -41.52 95.66 Favored 'General case' 0 N--CA 1.491 1.576 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 179.488 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . 0.56 ' O ' ' N ' ' B' ' 16' ' ' HIS . 14.9 t60 -60.82 -48.28 82.54 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.294 -0.879 . . . . 0.0 109.988 179.379 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 33.4 tp10 -60.11 -41.63 92.98 Favored 'General case' 0 C--N 1.297 -1.715 0 O-C-N 121.252 -0.905 . . . . 0.0 110.316 -178.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -60.9 -34.71 75.09 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.423 -0.798 . . . . 0.0 112.571 -178.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -136.95 -4.02 1.98 Allowed 'General case' 0 N--CA 1.512 2.636 0 O-C-N 120.721 -1.237 . . . . 0.0 112.819 -177.157 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.56 ' N ' ' O ' ' B' ' 12' ' ' HIS . 87.8 m-70 54.37 43.39 30.53 Favored 'General case' 0 N--CA 1.497 1.904 0 N-CA-C 107.529 -1.286 . . . . 0.0 107.529 -177.421 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 92.2 p -64.47 155.24 33.37 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.624 -0.672 . . . . 0.0 110.536 -178.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -71.61 159.56 34.21 Favored 'General case' 0 N--CA 1.489 1.512 0 N-CA-C 108.766 -0.828 . . . . 0.0 108.766 179.211 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 34.7 p-90 -56.98 -29.92 63.68 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.023 -1.048 . . . . 0.0 110.929 -178.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 61.4 mtp180 -61.68 -41.4 97.52 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.619 -1.301 . . . . 0.0 110.393 -179.593 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.83 -49.24 66.38 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.211 -0.931 . . . . 0.0 109.279 -179.38 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 78.4 mtm -60.1 -40.92 91.32 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 119.662 -0.815 . . . . 0.0 109.524 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.524 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -58.88 -47.04 86.33 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.46 -0.775 . . . . 0.0 109.174 179.738 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 31.9 t -69.85 -38.28 76.4 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.459 -0.775 . . . . 0.0 110.436 179.683 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -60.06 -40.51 89.72 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.016 -1.053 . . . . 0.0 109.961 -179.056 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -109.05 -0.1 19.65 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.451 -0.781 . . . . 0.0 109.947 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.524 ' N ' ' O ' ' B' ' 23' ' ' ALA . 17.6 t-20 56.24 47.03 20.15 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.312 -0.867 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 83.6 mt -112.97 153.4 45.26 Favored Pre-proline 0 N--CA 1.502 2.168 0 N-CA-C 108.361 -0.977 . . . . 0.0 108.361 179.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -60.21 163.0 15.43 Favored 'Trans proline' 0 C--N 1.314 -1.268 0 C-N-CA 121.545 1.496 . . . . 0.0 110.991 179.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -58.84 -32.2 96.77 Favored 'Trans proline' 0 C--N 1.3 -2.0 0 C-N-CA 122.171 1.914 . . . . 0.0 111.563 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.659 HG11 HD11 ' A' ' 5' ' ' ILE . 61.9 t -56.47 -48.29 80.39 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.716 0 O-C-N 121.035 -1.041 . . . . 0.0 109.795 -178.611 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 60.3 t -67.2 -49.96 67.7 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.711 0 C-N-CA 118.786 -1.165 . . . . 0.0 109.052 -179.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.15 -45.92 86.32 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.316 -0.865 . . . . 0.0 110.124 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 10.3 mtpm? -61.15 -36.19 79.12 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.767 -1.208 . . . . 0.0 109.849 179.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.0 tm-20 -60.86 -39.05 87.7 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.005 -1.06 . . . . 0.0 110.065 -178.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 49.3 mt -59.12 -40.51 81.12 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 120.795 -1.191 . . . . 0.0 108.65 179.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 84.3 t -61.37 -39.84 84.15 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 N-CA-C 108.081 -1.081 . . . . 0.0 108.081 179.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . 0.535 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -59.89 -32.48 70.78 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.555 -0.716 . . . . 0.0 109.501 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 49.6 m -78.39 -28.8 47.0 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.14 -0.975 . . . . 0.0 109.373 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 53.1 t -81.42 102.15 10.32 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.295 -0.878 . . . . 0.0 109.433 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -61.14 -31.16 70.88 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.342 -0.849 . . . . 0.0 110.23 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 26.9 mtpp -68.35 -39.96 81.66 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.081 -1.012 . . . . 0.0 110.518 -178.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 88.9 m -86.95 -29.06 22.34 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 120.931 -1.105 . . . . 0.0 110.252 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . 0.535 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 6.3 tt0 -71.89 -59.5 2.72 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.049 -1.032 . . . . 0.0 111.003 -178.618 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 92.7 mt -80.97 37.12 0.42 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.255 -0.903 . . . . 0.0 110.053 -179.028 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . 0.444 ' O ' ' O ' ' B' ' 47' ' ' GLY . 51.7 tttp -82.04 116.27 21.56 Favored 'General case' 0 C--N 1.296 -1.747 0 O-C-N 121.465 -0.772 . . . . 0.0 109.349 -179.743 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . 0.444 ' O ' ' O ' ' B' ' 46' ' ' LYS . . . 57.56 154.44 0.01 OUTLIER Glycine 0 N--CA 1.492 2.373 0 N-CA-C 110.401 -1.08 . . . . 0.0 110.401 179.709 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . 0.405 ' CD ' ' N ' ' B' ' 48' ' ' GLU . 8.7 mp0 57.85 43.99 20.78 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.605 -0.938 . . . . 0.0 110.408 179.31 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -128.76 -87.29 0.55 Allowed 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.57 -0.706 . . . . 0.0 109.193 179.416 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 56.6 mtt -79.36 139.55 37.73 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.283 -0.886 . . . . 0.0 109.644 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 52.0 t-80 -58.97 -38.57 79.43 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.252 -0.905 . . . . 0.0 108.99 179.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . 0.441 ' O ' ' O ' ' B' ' 53' ' ' GLN . . . 77.12 -152.38 40.07 Favored Glycine 0 N--CA 1.492 2.432 0 N-CA-C 110.261 -1.136 . . . . 0.0 110.261 179.419 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . 0.441 ' O ' ' O ' ' B' ' 52' ' ' GLY . 91.8 mt-30 55.59 113.83 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.734 -0.862 . . . . 0.0 110.315 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.686 HG13 ' N ' ' B' ' 55' ' ' ASP . 0.4 OUTLIER 69.1 -169.97 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.916 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 -179.746 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.686 ' N ' HG13 ' B' ' 54' ' ' VAL . 45.8 t0 . . . . . 0 N--CA 1.491 1.61 0 CA-C-O 117.876 -1.059 . . . . 0.0 109.417 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.413 ' O ' HD12 ' A' ' 5' ' ' ILE . 77.4 m-85 . . . . . 0 N--CA 1.491 1.613 0 CA-C-O 121.291 0.567 . . . . 0.0 110.253 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 14.6 mt -70.76 -37.95 73.43 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.372 -0.83 . . . . 0.0 111.747 -177.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 85.6 m-20 -64.33 -45.5 87.57 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.612 -1.305 . . . . 0.0 111.643 -177.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.13 -44.82 59.11 Favored Glycine 0 N--CA 1.492 2.393 0 N-CA-C 109.768 -1.333 . . . . 0.0 109.768 -179.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.491 HD11 HG11 ' B' ' 31' ' ' VAL . 94.7 mt -60.05 -40.28 82.77 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.773 0 O-C-N 121.628 -0.925 . . . . 0.0 110.888 -179.371 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -57.16 -47.97 79.87 Favored 'General case' 0 C--N 1.3 -1.571 0 C-N-CA 118.549 -1.26 . . . . 0.0 108.836 -179.452 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -68.8 -43.56 75.36 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.371 -0.831 . . . . 0.0 109.037 178.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.1 -36.09 83.21 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.353 -0.842 . . . . 0.0 109.911 179.327 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.464 ' N ' ' O ' ' A' ' 5' ' ' ILE . 62.0 tt0 -57.9 -40.81 81.22 Favored 'General case' 0 C--N 1.301 -1.523 0 C-N-CA 119.091 -1.044 . . . . 0.0 108.988 -179.022 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -60.26 -41.91 94.25 Favored 'General case' 0 C--N 1.297 -1.68 0 O-C-N 120.81 -1.181 . . . . 0.0 109.168 179.201 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -60.04 -40.37 89.17 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.303 -0.873 . . . . 0.0 108.729 179.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.551 ' O ' ' N ' ' A' ' 16' ' ' HIS . 15.3 t60 -61.67 -45.38 94.26 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.029 -1.044 . . . . 0.0 110.313 179.546 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -61.38 -43.79 98.26 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.041 -1.037 . . . . 0.0 110.96 -179.145 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 54.5 mtpt -61.42 -28.99 69.66 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.577 -0.702 . . . . 0.0 112.635 -178.331 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -139.77 -9.13 1.21 Allowed 'General case' 0 N--CA 1.506 2.35 0 O-C-N 120.818 -1.176 . . . . 0.0 112.154 -177.077 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.551 ' N ' ' O ' ' A' ' 12' ' ' HIS . 92.6 m-70 55.71 42.3 29.45 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.403 -1.436 . . . . 0.0 107.244 -177.707 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 84.8 p -65.04 160.26 21.35 Favored 'General case' 0 N--CA 1.484 1.23 0 O-C-N 121.351 -0.843 . . . . 0.0 110.375 -178.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -74.17 158.02 34.9 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.38 -0.825 . . . . 0.0 109.36 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 28.1 p-90 -57.14 -29.04 63.26 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.137 -0.977 . . . . 0.0 109.778 -179.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 77.6 mtm180 -64.24 -39.89 94.89 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.92 -1.113 . . . . 0.0 109.848 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.56 -50.0 60.56 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.642 -0.661 . . . . 0.0 109.396 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 79.0 mtm -60.67 -40.14 90.99 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.292 -0.88 . . . . 0.0 110.399 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -59.12 -44.42 92.01 Favored 'General case' 0 C--N 1.301 -1.538 0 C-N-CA 119.365 -0.934 . . . . 0.0 109.305 -179.282 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 13.7 m -71.5 -36.99 71.3 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.408 -0.807 . . . . 0.0 110.211 179.395 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -60.65 -39.99 90.4 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.321 -0.862 . . . . 0.0 110.316 -178.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -110.74 0.01 17.22 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.623 -0.673 . . . . 0.0 110.305 -179.259 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.442 ' N ' ' O ' ' A' ' 23' ' ' ALA . 11.3 m120 55.85 49.61 15.7 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.263 -0.898 . . . . 0.0 109.981 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 86.9 mt -116.76 153.49 49.24 Favored Pre-proline 0 N--CA 1.504 2.242 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -59.46 161.43 17.29 Favored 'Trans proline' 0 N--CA 1.492 1.418 0 C-N-CA 121.68 1.587 . . . . 0.0 111.496 179.311 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_endo -56.62 -32.1 89.26 Favored 'Trans proline' 0 C--N 1.304 -1.815 0 C-N-CA 122.589 2.193 . . . . 0.0 111.52 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.545 HG11 HD11 ' B' ' 5' ' ' ILE . 46.6 t -58.26 -49.65 81.09 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.843 0 O-C-N 120.872 -1.142 . . . . 0.0 110.1 -178.451 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 59.7 t -66.28 -47.26 84.88 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.739 0 C-N-CA 118.646 -1.221 . . . . 0.0 109.203 -178.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.48 -48.13 76.37 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.158 -0.964 . . . . 0.0 109.984 179.648 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.1 mtpm? -61.45 -35.42 77.56 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.089 -1.007 . . . . 0.0 110.726 -179.517 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.8 tm-20 -60.25 -38.39 83.3 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 120.979 -1.076 . . . . 0.0 109.466 -178.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 72.0 mt -60.46 -39.68 81.89 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 120.929 -1.107 . . . . 0.0 108.668 179.165 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 94.8 t -62.96 -38.22 81.39 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.61 0 O-C-N 121.492 -0.755 . . . . 0.0 108.994 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.26 -31.62 70.39 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.507 -0.746 . . . . 0.0 109.708 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.4 m -81.56 -23.06 37.4 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.149 -0.969 . . . . 0.0 110.875 -178.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 43.7 t -82.78 104.27 12.89 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.088 -1.008 . . . . 0.0 108.956 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -60.24 -30.38 69.38 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.398 -0.814 . . . . 0.0 110.405 -179.397 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -71.26 -40.17 71.13 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.164 -0.96 . . . . 0.0 111.404 -178.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 90.0 m -86.77 -17.97 32.23 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.001 -1.062 . . . . 0.0 110.138 -179.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 -74.45 -71.88 0.32 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.954 -1.091 . . . . 0.0 108.786 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 51.8 mt -78.0 112.64 15.12 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 107.201 -1.407 . . . . 0.0 107.201 178.342 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -89.56 130.82 35.82 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.304 -0.873 . . . . 0.0 109.885 -178.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 46.5 -138.88 7.57 Favored Glycine 0 N--CA 1.491 2.316 0 N-CA-C 109.854 -1.299 . . . . 0.0 109.854 179.236 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -72.37 134.55 45.51 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.456 -1.026 . . . . 0.0 109.336 179.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.06 -44.96 17.23 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 120.96 -1.087 . . . . 0.0 109.127 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 22.2 ttt -160.73 113.81 2.02 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.033 -1.042 . . . . 0.0 110.553 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 13.8 t60 -135.73 107.34 6.96 Favored 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 178.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -68.5 167.79 43.68 Favored Glycine 0 N--CA 1.487 2.044 0 N-CA-C 109.322 -1.511 . . . . 0.0 109.322 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -82.39 18.44 1.46 Allowed 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.438 -1.036 . . . . 0.0 109.01 179.642 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.484 HG12 ' H ' ' A' ' 55' ' ' ASP . 0.8 OUTLIER 50.2 -155.36 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 O-C-N 121.309 -0.87 . . . . 0.0 109.659 179.683 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.484 ' H ' HG12 ' A' ' 54' ' ' VAL . 74.1 m-20 . . . . . 0 N--CA 1.49 1.541 0 CA-C-O 117.986 -1.007 . . . . 0.0 109.348 -179.605 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . 0.402 ' O ' HD12 ' B' ' 5' ' ' ILE . 74.2 m-85 . . . . . 0 N--CA 1.49 1.559 0 CA-C-O 121.311 0.577 . . . . 0.0 110.011 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 13.8 mt -74.05 -35.66 64.3 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.543 -0.723 . . . . 0.0 111.96 -178.054 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -66.19 -44.07 85.01 Favored 'General case' 0 C--N 1.297 -1.686 0 O-C-N 120.828 -1.17 . . . . 0.0 111.046 -177.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.92 -44.72 45.61 Favored Glycine 0 N--CA 1.488 2.151 0 N-CA-C 109.385 -1.486 . . . . 0.0 109.385 -179.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.545 HD11 HG11 ' A' ' 31' ' ' VAL . 94.3 mt -60.07 -40.03 82.1 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.733 0 O-C-N 121.618 -0.93 . . . . 0.0 110.699 -179.487 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -56.39 -48.46 76.84 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 120.524 -1.36 . . . . 0.0 109.079 -179.419 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 37.1 ttmt -68.11 -43.74 77.72 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.066 -1.021 . . . . 0.0 108.914 178.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.81 -36.86 85.71 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.312 -0.868 . . . . 0.0 109.828 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 60.8 tt0 -56.73 -40.54 75.89 Favored 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 119.631 -0.828 . . . . 0.0 109.375 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.73 -42.89 98.21 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.037 -1.039 . . . . 0.0 109.165 179.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -60.18 -39.89 88.05 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . 0.552 ' O ' ' N ' ' B' ' 16' ' ' HIS . 15.1 t60 -62.56 -44.66 95.79 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.141 -0.974 . . . . 0.0 109.852 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -62.08 -44.23 97.13 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.167 -0.958 . . . . 0.0 110.352 -179.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 57.0 mtpt -60.14 -30.17 69.12 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.418 -0.801 . . . . 0.0 113.101 -177.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -139.59 -8.51 1.26 Allowed 'General case' 0 N--CA 1.507 2.419 0 O-C-N 120.91 -1.119 . . . . 0.0 112.248 -176.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.552 ' N ' ' O ' ' B' ' 12' ' ' HIS . 92.7 m-70 55.22 43.06 29.88 Favored 'General case' 0 N--CA 1.497 1.924 0 N-CA-C 107.452 -1.314 . . . . 0.0 107.452 -177.169 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 84.7 p -64.55 159.46 21.65 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 121.48 -0.762 . . . . 0.0 110.267 -178.664 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -73.62 157.24 37.0 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.461 -0.774 . . . . 0.0 109.543 179.389 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 24.4 p-90 -56.17 -30.09 61.74 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.053 -1.029 . . . . 0.0 110.525 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 81.7 mtm180 -63.83 -40.3 96.27 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.855 -1.153 . . . . 0.0 109.618 179.688 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.17 -49.47 64.56 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.41 -0.806 . . . . 0.0 109.751 -179.473 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 77.9 mtm -60.18 -39.53 86.81 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.483 -0.761 . . . . 0.0 109.689 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.502 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -59.51 -46.76 87.91 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.248 -0.908 . . . . 0.0 109.619 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 15.2 m -69.97 -37.21 75.7 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.095 -1.003 . . . . 0.0 109.838 179.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -60.64 -40.83 93.41 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.372 -0.83 . . . . 0.0 110.548 -178.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -110.08 -0.14 18.13 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 121.425 -0.797 . . . . 0.0 109.851 179.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.502 ' N ' ' O ' ' B' ' 23' ' ' ALA . 12.7 m120 56.25 49.09 15.95 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.913 -1.117 . . . . 0.0 109.547 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 88.6 mt -115.91 152.74 47.88 Favored Pre-proline 0 N--CA 1.493 1.714 0 N-CA-C 107.873 -1.158 . . . . 0.0 107.873 179.424 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -59.52 162.79 14.15 Favored 'Trans proline' 0 C--N 1.311 -1.424 0 C-N-CA 121.536 1.491 . . . . 0.0 111.554 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -57.9 -32.06 94.16 Favored 'Trans proline' 0 C--N 1.304 -1.795 0 C-N-CA 122.368 2.045 . . . . 0.0 111.862 -179.612 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.491 HG11 HD11 ' A' ' 5' ' ' ILE . 48.6 t -57.97 -48.91 82.92 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.783 0 O-C-N 121.053 -1.029 . . . . 0.0 110.097 -178.794 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 59.5 t -66.07 -47.96 83.17 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.615 0 C-N-CA 118.765 -1.174 . . . . 0.0 109.406 -178.527 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.73 -47.23 79.04 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.301 -0.874 . . . . 0.0 109.971 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 10.4 mtpm? -61.33 -36.48 80.27 Favored 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 119.29 -0.964 . . . . 0.0 110.275 -179.349 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 -60.09 -38.68 83.65 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.009 -1.057 . . . . 0.0 109.76 -178.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 78.2 mt -59.76 -40.37 82.31 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.412 0 O-C-N 120.963 -1.086 . . . . 0.0 108.797 179.187 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 94.5 t -62.31 -39.22 83.37 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.477 0 O-C-N 121.564 -0.71 . . . . 0.0 109.203 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . 0.485 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -59.66 -32.12 70.17 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.411 -0.806 . . . . 0.0 109.707 179.766 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 57.9 m -80.82 -22.75 39.73 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.293 -0.88 . . . . 0.0 110.508 -179.397 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 44.3 t -82.91 103.58 12.49 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.817 -1.177 . . . . 0.0 109.513 -179.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -60.12 -30.13 69.07 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.097 -1.002 . . . . 0.0 110.416 -179.455 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -71.31 -40.47 70.79 Favored 'General case' 0 N--CA 1.495 1.818 0 C-N-CA 119.203 -0.999 . . . . 0.0 110.931 -178.09 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 97.8 m -85.66 -19.67 30.58 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 120.739 -1.226 . . . . 0.0 109.857 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . 0.485 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 30.0 tt0 -71.45 -71.22 0.27 Allowed 'General case' 0 C--N 1.298 -1.661 0 O-C-N 121.169 -0.957 . . . . 0.0 109.397 -179.147 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 55.9 mt -79.91 114.14 18.61 Favored 'General case' 0 N--CA 1.493 1.685 0 N-CA-C 107.451 -1.315 . . . . 0.0 107.451 178.507 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -90.19 130.14 36.36 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.366 -0.834 . . . . 0.0 109.879 -178.511 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 45.51 -134.44 8.47 Favored Glycine 0 N--CA 1.488 2.144 0 N-CA-C 109.838 -1.305 . . . . 0.0 109.838 179.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -75.04 133.21 41.67 Favored 'General case' 0 C--N 1.304 -1.413 0 O-C-N 121.529 -0.983 . . . . 0.0 109.42 179.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -78.7 -51.45 9.8 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.452 -0.78 . . . . 0.0 108.912 179.6 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 22.3 ttt -155.44 114.31 3.54 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.206 -0.934 . . . . 0.0 110.126 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 17.0 t60 -136.03 104.55 5.73 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.294 -0.879 . . . . 0.0 109.105 179.36 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -65.97 167.34 34.93 Favored Glycine 0 N--CA 1.495 2.582 0 N-CA-C 110.219 -1.152 . . . . 0.0 110.219 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -80.24 16.43 1.27 Allowed 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.517 -0.99 . . . . 0.0 108.882 179.318 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.532 HG12 ' H ' ' B' ' 55' ' ' ASP . 1.4 t 52.3 -155.33 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.907 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 179.79 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.532 ' H ' HG12 ' B' ' 54' ' ' VAL . 72.1 m-20 . . . . . 0 N--CA 1.491 1.615 0 CA-C-O 117.949 -1.024 . . . . 0.0 109.586 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 121.473 0.654 . . . . 0.0 109.881 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 15.3 mt -69.98 -34.7 73.71 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.107 -0.996 . . . . 0.0 111.746 -178.287 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -61.51 -46.3 90.56 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.678 -1.264 . . . . 0.0 110.621 -178.662 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.63 -46.4 31.56 Favored Glycine 0 N--CA 1.494 2.515 0 N-CA-C 109.416 -1.474 . . . . 0.0 109.416 179.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.463 ' O ' ' N ' ' A' ' 9' ' ' GLN . 78.2 mt -58.69 -39.98 78.04 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.512 0 O-C-N 121.501 -0.999 . . . . 0.0 109.798 -179.702 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 58.7 t0 -56.61 -46.46 80.88 Favored 'General case' 0 C--N 1.301 -1.503 0 C-N-CA 118.635 -1.226 . . . . 0.0 109.096 -179.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -69.51 -43.22 73.52 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.062 -1.024 . . . . 0.0 109.159 178.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.15 -36.95 84.47 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.237 -0.914 . . . . 0.0 109.579 179.075 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.463 ' N ' ' O ' ' A' ' 5' ' ' ILE . 60.4 tt0 -55.62 -40.43 72.11 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.273 -0.892 . . . . 0.0 109.052 -179.367 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 80.0 tt0 -60.02 -41.13 91.53 Favored 'General case' 0 C--N 1.304 -1.387 0 C-N-CA 119.381 -0.927 . . . . 0.0 108.986 179.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -61.47 -39.72 91.92 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.147 -0.97 . . . . 0.0 108.923 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.534 ' O ' ' N ' ' A' ' 16' ' ' HIS . 15.2 t60 -61.73 -43.77 98.2 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.098 -1.001 . . . . 0.0 109.777 179.28 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -60.16 -44.26 95.16 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.157 -0.964 . . . . 0.0 110.166 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 46.8 mtmt -61.5 -32.02 72.04 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.418 -0.802 . . . . 0.0 112.964 -178.597 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -138.27 -4.47 1.68 Allowed 'General case' 0 N--CA 1.506 2.327 0 O-C-N 120.541 -1.349 . . . . 0.0 112.845 -176.329 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.534 ' N ' ' O ' ' A' ' 12' ' ' HIS . 89.8 m-70 53.87 41.24 32.11 Favored 'General case' 0 N--CA 1.493 1.713 0 N-CA-C 107.578 -1.268 . . . . 0.0 107.578 -177.67 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 89.1 p -60.84 155.44 19.58 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.643 -0.661 . . . . 0.0 111.122 -178.34 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -71.32 159.21 34.99 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 108.863 -0.792 . . . . 0.0 108.863 179.235 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 41.8 p-90 -58.59 -30.79 67.47 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.158 -0.964 . . . . 0.0 110.385 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -63.45 -41.45 98.64 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.841 -1.162 . . . . 0.0 109.889 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.71 -47.79 71.26 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.316 -0.865 . . . . 0.0 109.883 -179.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 77.7 mtm -61.09 -39.47 90.03 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.104 -0.997 . . . . 0.0 109.331 179.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.521 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -57.35 -48.25 79.5 Favored 'General case' 0 C--N 1.303 -1.424 0 C-N-CA 119.552 -0.859 . . . . 0.0 109.242 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 20.4 t -70.05 -36.4 74.99 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.402 -0.811 . . . . 0.0 110.42 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -60.57 -40.23 90.92 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.25 -0.906 . . . . 0.0 110.174 -178.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -113.45 2.49 15.43 Favored 'General case' 0 N--CA 1.505 2.278 0 O-C-N 121.35 -0.844 . . . . 0.0 110.305 179.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.521 ' N ' ' O ' ' A' ' 23' ' ' ALA . 62.7 m-20 55.62 50.34 14.64 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.296 -0.877 . . . . 0.0 110.123 179.785 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 75.3 mt -115.49 151.85 46.46 Favored Pre-proline 0 N--CA 1.503 2.211 0 O-C-N 121.334 -0.854 . . . . 0.0 108.761 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_endo -61.16 150.83 82.64 Favored 'Trans proline' 0 N--CA 1.493 1.489 0 C-N-CA 121.938 1.759 . . . . 0.0 111.882 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -43.7 -41.22 11.35 Favored 'Trans proline' 0 C--N 1.313 -1.302 0 C-N-CA 122.202 1.935 . . . . 0.0 112.441 179.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 88.5 t -51.67 -50.24 31.86 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.913 0 O-C-N 121.138 -0.976 . . . . 0.0 110.441 -178.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 63.6 t -64.89 -48.61 83.55 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.646 0 C-N-CA 118.255 -1.378 . . . . 0.0 109.307 -178.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.58 -46.04 80.92 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.512 -0.743 . . . . 0.0 110.506 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 42.3 mtmt -62.44 -34.58 77.06 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 120.796 -1.19 . . . . 0.0 109.502 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.0 tm-20 -61.05 -39.32 89.37 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.135 -0.978 . . . . 0.0 109.725 -179.369 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 50.7 mt -59.36 -39.98 80.36 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 179.361 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 93.7 t -62.96 -39.63 85.87 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 O-C-N 121.357 -0.839 . . . . 0.0 108.791 179.169 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.72 -31.98 70.11 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.385 -0.822 . . . . 0.0 108.942 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.8 m -76.04 -29.14 57.96 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.531 -0.73 . . . . 0.0 109.413 179.602 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 51.4 t -82.62 103.76 12.38 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.368 -0.833 . . . . 0.0 109.492 179.63 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -61.66 -29.96 70.41 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.415 -0.803 . . . . 0.0 110.442 -179.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 60.8 mttp -70.06 -40.55 75.01 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.035 -1.04 . . . . 0.0 110.583 -179.036 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 99.6 m -85.7 -30.96 22.75 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 120.99 -1.069 . . . . 0.0 110.914 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.499 HE21 ' CD ' ' B' ' 44' ' ' GLN . 39.6 tt0 -70.37 -48.64 55.36 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 120.969 -1.082 . . . . 0.0 110.897 -178.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.2 mt -85.39 26.24 0.94 Allowed 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.091 -1.006 . . . . 0.0 110.781 -179.239 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 40.3 tttp -81.66 -7.05 59.55 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 121.113 -0.992 . . . . 0.0 108.649 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -82.23 -163.43 32.6 Favored Glycine 0 N--CA 1.491 2.342 0 N-CA-C 108.732 -1.747 . . . . 0.0 108.732 178.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 83.3 mt-10 -73.38 140.75 46.84 Favored 'General case' 0 C--N 1.304 -1.413 0 O-C-N 121.332 -1.099 . . . . 0.0 109.85 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -178.31 75.15 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.361 -0.837 . . . . 0.0 108.945 179.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 25.9 ptt? -170.39 165.02 8.78 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 120.822 -1.173 . . . . 0.0 110.051 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.537 ' NE2' ' O ' ' A' ' 55' ' ' ASP . 52.0 t60 57.41 46.15 18.67 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.758 -0.589 . . . . 0.0 110.051 179.215 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -85.23 -75.67 1.23 Allowed Glycine 0 N--CA 1.491 2.326 0 N-CA-C 108.857 -1.697 . . . . 0.0 108.857 179.292 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 92.5 mm-40 -62.3 163.67 8.12 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.22 -1.165 . . . . 0.0 110.125 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.3 t 63.7 157.01 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.819 0 CA-C-O 121.37 0.605 . . . . 0.0 109.909 -179.555 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.537 ' O ' ' NE2' ' A' ' 51' ' ' HIS . 92.4 m-20 . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 117.898 -1.049 . . . . 0.0 108.907 179.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 44.5 m-85 . . . . . 0 N--CA 1.49 1.555 0 CA-C-O 121.554 0.693 . . . . 0.0 109.902 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 16.3 mt -70.57 -34.25 72.0 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.304 -0.872 . . . . 0.0 111.663 -178.251 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -62.33 -45.8 91.59 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 120.567 -1.333 . . . . 0.0 110.632 -178.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.68 -46.03 26.0 Favored Glycine 0 N--CA 1.493 2.441 0 N-CA-C 109.375 -1.49 . . . . 0.0 109.375 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.497 ' O ' ' N ' ' B' ' 9' ' ' GLN . 81.0 mt -58.24 -39.44 73.6 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.642 0 O-C-N 121.355 -1.085 . . . . 0.0 110.055 -179.725 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 61.5 t0 -57.62 -45.63 85.13 Favored 'General case' 0 C--N 1.301 -1.502 0 C-N-CA 119.139 -1.024 . . . . 0.0 108.956 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -69.52 -43.35 73.24 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.953 -1.092 . . . . 0.0 108.981 178.597 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.27 -36.82 83.97 Favored 'General case' 0 N--CA 1.486 1.369 0 O-C-N 121.256 -0.903 . . . . 0.0 109.324 179.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . 0.497 ' N ' ' O ' ' B' ' 5' ' ' ILE . 58.4 tt0 -55.83 -40.22 72.51 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.424 -0.797 . . . . 0.0 109.002 -179.334 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -60.07 -40.92 91.16 Favored 'General case' 0 C--N 1.3 -1.545 0 C-N-CA 119.392 -0.923 . . . . 0.0 109.023 179.369 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -61.78 -40.01 93.69 Favored 'General case' 0 N--CA 1.489 1.498 0 C-N-CA 119.145 -1.022 . . . . 0.0 109.095 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . 0.524 ' O ' ' N ' ' B' ' 16' ' ' HIS . 14.9 t60 -61.58 -42.4 98.8 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.009 -1.057 . . . . 0.0 109.626 179.4 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -60.63 -45.22 94.89 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.054 -1.029 . . . . 0.0 110.169 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 47.4 mtmt -61.25 -31.32 71.12 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.443 -0.786 . . . . 0.0 112.87 -178.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 47.2 m-85 -139.21 -3.98 1.53 Allowed 'General case' 0 N--CA 1.505 2.301 0 O-C-N 120.607 -1.308 . . . . 0.0 112.708 -176.228 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.524 ' N ' ' O ' ' B' ' 12' ' ' HIS . 90.1 m-70 54.04 40.62 31.81 Favored 'General case' 0 N--CA 1.493 1.677 0 N-CA-C 107.749 -1.204 . . . . 0.0 107.749 -178.031 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 90.7 p -60.08 155.86 16.2 Favored 'General case' 0 C--N 1.301 -1.529 0 CA-C-O 121.652 0.739 . . . . 0.0 111.189 -178.327 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -72.35 157.95 36.71 Favored 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 179.292 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 42.6 p-90 -57.05 -30.95 64.69 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.127 -0.983 . . . . 0.0 110.455 -179.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -63.37 -41.73 98.82 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.948 -1.095 . . . . 0.0 109.934 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.9 -47.07 72.93 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.403 -0.811 . . . . 0.0 109.842 -179.491 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 77.7 mtm -61.47 -39.91 92.61 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.038 -1.039 . . . . 0.0 109.198 179.503 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.514 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -56.69 -48.71 77.07 Favored 'General case' 0 C--N 1.3 -1.57 0 C-N-CA 119.623 -0.831 . . . . 0.0 109.186 179.815 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 19.8 t -70.22 -36.05 74.28 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.306 -0.871 . . . . 0.0 110.492 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -60.73 -39.97 90.63 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.215 -0.928 . . . . 0.0 110.464 -178.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -114.44 1.96 14.51 Favored 'General case' 0 N--CA 1.503 2.211 0 O-C-N 121.6 -0.687 . . . . 0.0 110.191 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.514 ' N ' ' O ' ' B' ' 23' ' ' ALA . 67.8 m-20 56.11 50.61 13.29 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.445 -0.785 . . . . 0.0 110.228 179.782 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 70.2 mt -115.97 151.6 46.68 Favored Pre-proline 0 N--CA 1.503 2.216 0 N-CA-C 108.52 -0.919 . . . . 0.0 108.52 179.662 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo -61.75 150.85 84.1 Favored 'Trans proline' 0 N--CA 1.497 1.693 0 C-N-CA 121.942 1.761 . . . . 0.0 111.996 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -43.17 -40.57 9.25 Favored 'Trans proline' 0 N--CA 1.489 1.226 0 C-N-CA 122.032 1.822 . . . . 0.0 112.308 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 86.7 t -51.89 -50.64 32.61 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 121.218 -0.926 . . . . 0.0 110.418 -178.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 62.6 t -64.77 -48.95 82.4 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.737 0 C-N-CA 118.33 -1.348 . . . . 0.0 109.476 -179.086 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.22 -45.8 83.24 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 121.416 -0.802 . . . . 0.0 110.639 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 42.0 mtmt -62.49 -34.12 76.22 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.036 -1.04 . . . . 0.0 109.777 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 13.2 tm-20 -61.91 -38.48 88.54 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.166 -0.958 . . . . 0.0 110.006 -179.419 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 45.9 mt -60.28 -39.78 81.82 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 N-CA-C 107.619 -1.252 . . . . 0.0 107.619 179.539 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 80.9 t -62.98 -39.92 87.03 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 179.175 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . 0.484 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -59.5 -32.17 70.03 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 179.4 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 51.8 m -76.0 -28.94 57.99 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.48 -0.763 . . . . 0.0 109.336 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 45.0 t -83.4 104.68 13.74 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.253 -0.904 . . . . 0.0 109.397 179.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -62.2 -29.68 70.54 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.327 -0.858 . . . . 0.0 110.518 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -70.01 -40.92 74.96 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.886 -1.134 . . . . 0.0 110.559 -178.699 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 94.2 m -85.13 -31.85 23.08 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.776 -1.202 . . . . 0.0 110.767 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . 0.499 ' CD ' HE21 ' A' ' 44' ' ' GLN . 5.8 tt0 -69.75 -46.68 65.32 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 120.828 -1.17 . . . . 0.0 111.055 -178.769 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 98.4 mt -88.13 27.34 1.22 Allowed 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.045 -1.035 . . . . 0.0 110.579 -178.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 41.8 tttp -82.22 -7.42 59.62 Favored 'General case' 0 C--N 1.298 -1.641 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 179.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -82.75 -166.79 39.69 Favored Glycine 0 N--CA 1.493 2.436 0 N-CA-C 108.904 -1.678 . . . . 0.0 108.904 179.041 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 87.2 mt-10 -70.14 140.89 52.71 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.201 -1.176 . . . . 0.0 109.839 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -178.99 75.83 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.559 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 179.432 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 25.5 ptt? -171.14 164.99 7.41 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 120.966 -1.084 . . . . 0.0 110.053 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' HIS . . . . . 0.546 ' NE2' ' O ' ' B' ' 55' ' ' ASP . 55.4 t60 57.29 46.34 18.72 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.425 -0.797 . . . . 0.0 109.982 178.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -86.43 -74.06 1.27 Allowed Glycine 0 N--CA 1.492 2.421 0 N-CA-C 109.046 -1.622 . . . . 0.0 109.046 179.381 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 92.3 mm-40 -63.21 162.82 11.3 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.239 -1.154 . . . . 0.0 109.739 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 7.6 t 64.08 157.12 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.77 0 CA-C-O 121.564 0.697 . . . . 0.0 110.205 -179.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.546 ' O ' ' NE2' ' B' ' 51' ' ' HIS . 90.7 m-20 . . . . . 0 N--CA 1.485 1.321 0 CA-C-O 118.072 -0.966 . . . . 0.0 109.34 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.423 ' CE2' ' CE2' ' B' ' 1' ' ' PHE . 60.4 m-85 . . . . . 0 N--CA 1.492 1.639 0 CA-C-O 121.472 0.653 . . . . 0.0 109.764 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 20.2 mt -70.27 -35.19 73.6 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.202 -0.937 . . . . 0.0 111.114 -178.033 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -64.04 -45.72 87.6 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.868 -1.145 . . . . 0.0 110.774 -178.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.15 -41.96 52.29 Favored Glycine 0 N--CA 1.492 2.377 0 N-CA-C 109.338 -1.505 . . . . 0.0 109.338 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.417 HD12 ' O ' ' A' ' 1' ' ' PHE . 72.6 mt -60.42 -39.19 80.31 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.374 -1.074 . . . . 0.0 109.867 179.536 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 47.1 t0 -56.08 -48.27 76.42 Favored 'General case' 0 C--N 1.303 -1.417 0 C-N-CA 119.116 -1.034 . . . . 0.0 108.919 -179.068 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -69.12 -40.92 78.0 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.79 -1.194 . . . . 0.0 109.317 178.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.6 -40.24 88.77 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.351 -0.843 . . . . 0.0 109.856 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -55.65 -40.41 72.18 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.256 -0.902 . . . . 0.0 109.637 -179.24 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -62.24 -40.18 95.28 Favored 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 119.521 -0.872 . . . . 0.0 109.239 179.327 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -61.4 -40.63 95.09 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.064 -1.022 . . . . 0.0 108.677 179.465 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.535 ' O ' ' N ' ' A' ' 16' ' ' HIS . 12.8 t60 -60.22 -46.84 88.38 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.336 -0.853 . . . . 0.0 110.091 179.614 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -60.05 -42.97 95.61 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.346 -0.846 . . . . 0.0 110.905 -179.636 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.5 mtpp -61.7 -32.38 72.58 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.329 -0.857 . . . . 0.0 112.479 -178.121 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 -139.36 -3.97 1.5 Allowed 'General case' 0 N--CA 1.506 2.362 0 O-C-N 120.727 -1.233 . . . . 0.0 112.835 -176.534 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.535 ' N ' ' O ' ' A' ' 12' ' ' HIS . 81.3 m-70 54.55 44.28 28.98 Favored 'General case' 0 N--CA 1.499 1.979 0 N-CA-C 107.004 -1.48 . . . . 0.0 107.004 -177.422 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 91.8 p -67.49 157.01 35.26 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.605 -0.684 . . . . 0.0 110.307 -178.477 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 36.0 m120 -73.52 158.65 34.48 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.355 -0.841 . . . . 0.0 109.055 179.413 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 55.3 p-90 -57.76 -30.54 65.69 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.355 -0.841 . . . . 0.0 110.302 -179.485 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 79.3 mtm180 -61.29 -39.85 91.96 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.835 -1.166 . . . . 0.0 109.554 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.08 -49.37 57.94 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.697 -0.627 . . . . 0.0 110.321 -179.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 79.3 mtm -60.6 -39.23 87.37 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.051 -1.031 . . . . 0.0 109.631 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.559 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -57.19 -47.74 80.5 Favored 'General case' 0 C--N 1.299 -1.613 0 C-N-CA 119.505 -0.878 . . . . 0.0 109.57 -179.667 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 18.3 t -68.27 -36.41 79.37 Favored 'General case' 0 C--N 1.298 -1.672 0 O-C-N 121.181 -0.949 . . . . 0.0 110.04 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -59.88 -40.03 87.29 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.279 -0.888 . . . . 0.0 110.428 -178.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -114.43 1.6 14.42 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.38 -0.825 . . . . 0.0 110.121 -179.385 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.559 ' N ' ' O ' ' A' ' 23' ' ' ALA . 85.9 m-20 56.12 45.09 24.12 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.411 -0.806 . . . . 0.0 110.168 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 61.0 mt -107.77 150.98 40.94 Favored Pre-proline 0 N--CA 1.503 2.224 0 O-C-N 121.176 -0.953 . . . . 0.0 108.473 179.39 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -61.78 149.76 88.68 Favored 'Trans proline' 0 N--CA 1.489 1.234 0 C-N-CA 121.526 1.484 . . . . 0.0 111.325 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -42.75 -38.43 6.59 Favored 'Trans proline' 0 C--N 1.313 -1.309 0 C-N-CA 122.315 2.01 . . . . 0.0 113.171 -179.374 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.435 HG11 HD11 ' B' ' 5' ' ' ILE . 59.2 t -54.09 -50.91 51.46 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.943 0 O-C-N 120.949 -1.095 . . . . 0.0 110.231 -177.557 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 57.7 t -64.19 -48.21 86.65 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.736 0 C-N-CA 118.739 -1.184 . . . . 0.0 109.339 -178.584 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.89 -45.28 82.58 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.46 -0.775 . . . . 0.0 109.692 179.631 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 53.4 mtpt -60.25 -37.37 80.18 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.111 -0.993 . . . . 0.0 110.491 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.6 tm-20 -60.53 -39.47 87.98 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.821 -1.174 . . . . 0.0 110.349 -179.469 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 89.6 mt -60.02 -39.54 80.57 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.493 0 O-C-N 120.65 -1.281 . . . . 0.0 107.751 178.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 92.9 t -66.05 -39.4 84.4 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.397 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 178.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.29 -38.11 76.37 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.773 -0.579 . . . . 0.0 110.661 -179.699 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 47.4 m -77.24 -22.79 51.69 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.417 -0.802 . . . . 0.0 109.597 -179.212 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 45.4 t -81.05 98.77 8.13 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.27 -0.894 . . . . 0.0 109.195 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.436 ' O ' ' O ' ' A' ' 45' ' ' LEU . 91.5 m-20 -60.83 -28.9 69.16 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.597 -0.69 . . . . 0.0 110.442 -179.764 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 60.8 mttm -68.85 -39.68 79.77 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 120.963 -1.085 . . . . 0.0 110.423 -178.229 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 57.6 m -83.45 -51.87 7.0 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 120.903 -1.123 . . . . 0.0 110.34 -179.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.728 HE22 ' NE2' ' B' ' 44' ' ' GLN . 13.1 tt0 -71.09 -59.78 2.59 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.926 -1.109 . . . . 0.0 110.083 -179.356 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.436 ' O ' ' O ' ' A' ' 41' ' ' ASP . 27.5 mt -84.11 101.51 11.87 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.926 -1.109 . . . . 0.0 109.104 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 46.2 tttp -87.55 -12.63 45.23 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.103 -0.998 . . . . 0.0 109.552 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.89 29.19 39.27 Favored Glycine 0 N--CA 1.496 2.68 0 C-N-CA 119.793 -1.194 . . . . 0.0 111.072 178.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -60.54 -22.34 63.52 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.949 -1.324 . . . . 0.0 109.943 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -94.33 133.49 37.83 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.054 -1.029 . . . . 0.0 109.255 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 13.9 ttp -173.22 176.5 2.9 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.439 -0.788 . . . . 0.0 108.99 -179.546 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 64.3 t60 -48.61 -33.68 10.26 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.233 -0.917 . . . . 0.0 109.752 179.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 93.51 4.2 64.2 Favored Glycine 0 N--CA 1.499 2.839 0 N-CA-C 110.269 -1.133 . . . . 0.0 110.269 179.402 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 51.86 64.43 1.85 Allowed 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.05 -1.264 . . . . 0.0 109.863 179.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.6 t -95.62 152.53 3.73 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.381 0 O-C-N 120.875 -1.141 . . . . 0.0 109.634 -179.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 68.0 t0 . . . . . 0 N--CA 1.493 1.678 0 CA-C-O 118.168 -0.92 . . . . 0.0 109.614 -179.52 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . 0.474 ' O ' HD12 ' B' ' 5' ' ' ILE . 58.1 m-85 . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 121.545 0.688 . . . . 0.0 109.458 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 19.2 mt -70.52 -34.99 72.92 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.341 -0.849 . . . . 0.0 110.879 -178.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -64.27 -45.5 87.79 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.821 -1.174 . . . . 0.0 110.837 -178.681 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.39 -41.49 52.1 Favored Glycine 0 N--CA 1.492 2.411 0 N-CA-C 109.289 -1.524 . . . . 0.0 109.289 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.474 HD12 ' O ' ' B' ' 1' ' ' PHE . 67.3 mt -60.12 -39.63 81.05 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.438 0 O-C-N 121.359 -1.083 . . . . 0.0 109.807 179.618 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 46.7 t0 -55.85 -49.02 74.46 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.036 -1.04 . . . . 0.0 109.017 -178.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -68.99 -40.36 78.82 Favored 'General case' 0 C--N 1.3 -1.581 0 C-N-CA 118.453 -1.299 . . . . 0.0 109.428 178.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.63 -38.12 83.45 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.097 -1.002 . . . . 0.0 109.779 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . 0.421 ' N ' ' O ' ' B' ' 5' ' ' ILE . 60.4 tt0 -56.27 -41.22 75.47 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.144 -0.973 . . . . 0.0 109.628 -179.477 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 78.9 tt0 -61.75 -41.08 97.21 Favored 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 119.618 -0.833 . . . . 0.0 108.906 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 23.6 tp10 -60.28 -39.83 88.26 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.041 -1.037 . . . . 0.0 108.557 179.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . 0.529 ' O ' ' N ' ' B' ' 16' ' ' HIS . 16.5 t60 -60.62 -47.59 85.55 Favored 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 119.917 -0.713 . . . . 0.0 109.494 179.45 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -60.24 -43.72 95.85 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.375 -0.828 . . . . 0.0 110.718 -178.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 25.3 mtpp -60.52 -32.67 71.68 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.193 -0.942 . . . . 0.0 112.736 -178.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -139.66 -3.21 1.49 Allowed 'General case' 0 N--CA 1.505 2.297 0 O-C-N 120.723 -1.235 . . . . 0.0 112.88 -176.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.529 ' N ' ' O ' ' B' ' 12' ' ' HIS . 82.2 m-70 54.17 45.46 27.36 Favored 'General case' 0 N--CA 1.498 1.932 0 N-CA-C 106.871 -1.529 . . . . 0.0 106.871 -177.435 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 96.3 p -69.49 154.12 42.49 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.544 -0.723 . . . . 0.0 110.248 -178.333 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 35.7 m120 -70.4 158.51 35.86 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.302 -0.874 . . . . 0.0 108.973 179.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 56.9 p-90 -57.29 -31.65 65.85 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.351 -0.843 . . . . 0.0 110.503 -179.334 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 80.1 mtm180 -60.51 -39.24 87.05 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.143 -0.973 . . . . 0.0 109.817 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.69 -50.3 45.15 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.229 -0.919 . . . . 0.0 109.905 -179.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 79.4 mtm -59.99 -39.46 85.8 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.127 -0.983 . . . . 0.0 109.455 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.519 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -57.83 -46.37 84.82 Favored 'General case' 0 C--N 1.303 -1.421 0 C-N-CA 119.266 -0.974 . . . . 0.0 109.409 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 24.9 t -69.64 -36.34 76.02 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.224 -0.923 . . . . 0.0 110.058 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -60.01 -40.2 88.43 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.132 -0.98 . . . . 0.0 110.295 -179.033 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -113.1 0.13 14.87 Favored 'General case' 0 N--CA 1.505 2.297 0 O-C-N 121.308 -0.87 . . . . 0.0 110.448 -179.303 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.519 ' N ' ' O ' ' B' ' 23' ' ' ALA . 78.0 m-20 56.86 46.65 19.36 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.42 -0.8 . . . . 0.0 110.272 179.792 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 68.4 mt -109.76 151.24 42.21 Favored Pre-proline 0 N--CA 1.496 1.852 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 179.322 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -61.12 151.09 81.11 Favored 'Trans proline' 0 C--N 1.309 -1.531 0 C-N-CA 121.439 1.426 . . . . 0.0 111.262 179.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_exo -44.26 -37.78 10.5 Favored 'Trans proline' 0 C--N 1.311 -1.405 0 C-N-CA 122.421 2.081 . . . . 0.0 112.728 -179.652 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 49.8 t -54.53 -49.83 63.21 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.781 0 O-C-N 121.156 -0.965 . . . . 0.0 110.488 -177.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 63.4 t -65.25 -47.5 87.09 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.763 0 C-N-CA 118.44 -1.304 . . . . 0.0 109.575 -178.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.41 -44.36 83.19 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.454 -0.779 . . . . 0.0 109.904 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 56.0 mtpt -61.98 -37.16 83.76 Favored 'General case' 0 C--N 1.306 -1.312 0 O-C-N 121.288 -0.883 . . . . 0.0 110.632 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 16.7 tm-20 -59.85 -39.91 86.78 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.785 -1.197 . . . . 0.0 109.767 -179.344 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 91.4 mt -59.7 -40.28 81.93 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 O-C-N 120.782 -1.199 . . . . 0.0 108.175 179.036 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 86.9 t -65.69 -38.7 82.91 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 178.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.05 -38.37 79.19 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.577 -0.702 . . . . 0.0 109.883 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 26.4 m -76.41 -23.17 54.0 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.03 -1.044 . . . . 0.0 109.53 -179.441 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 53.1 t -80.38 99.61 8.03 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.122 -0.986 . . . . 0.0 109.048 179.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . 0.454 ' O ' ' O ' ' B' ' 45' ' ' LEU . 96.9 m-20 -61.48 -30.03 70.35 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.615 -0.678 . . . . 0.0 110.095 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 62.4 mttm -68.11 -38.13 81.91 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.028 -1.045 . . . . 0.0 110.531 -178.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 54.1 m -84.17 -53.63 5.38 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.932 -1.105 . . . . 0.0 110.333 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . 0.728 ' NE2' HE22 ' A' ' 44' ' ' GLN . 44.2 tt0 -69.99 -60.04 2.54 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 120.847 -1.158 . . . . 0.0 109.715 -179.023 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.454 ' O ' ' O ' ' B' ' 41' ' ' ASP . 26.4 mt -83.05 102.66 11.93 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.16 -0.963 . . . . 0.0 109.469 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 45.1 tttp -88.38 -13.0 41.67 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.214 -0.929 . . . . 0.0 108.994 179.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.05 33.1 33.86 Favored Glycine 0 N--CA 1.493 2.456 0 C-N-CA 119.84 -1.171 . . . . 0.0 110.369 179.158 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -64.0 -20.66 66.06 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.975 -1.309 . . . . 0.0 109.649 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -95.39 134.46 38.18 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.145 -0.972 . . . . 0.0 109.018 179.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . 0.439 ' HG2' ' H ' ' B' ' 51' ' ' HIS . 15.1 ttp -172.99 177.41 2.78 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.313 -0.867 . . . . 0.0 109.363 -179.742 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' HIS . . . . . 0.439 ' H ' ' HG2' ' B' ' 50' ' ' MET . 70.2 t60 -49.64 -33.2 14.84 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.255 -0.903 . . . . 0.0 109.759 179.756 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 94.79 1.06 63.75 Favored Glycine 0 N--CA 1.499 2.899 0 N-CA-C 110.205 -1.158 . . . . 0.0 110.205 179.568 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 52.92 65.67 1.45 Allowed 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.331 -1.1 . . . . 0.0 109.015 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 2.4 t -95.4 152.84 3.64 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.993 0 O-C-N 121.154 -0.966 . . . . 0.0 109.747 -179.019 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 64.1 t0 . . . . . 0 N--CA 1.492 1.657 0 CA-C-O 118.016 -0.992 . . . . 0.0 109.766 -179.185 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.442 ' O ' HD12 ' A' ' 5' ' ' ILE . 91.1 m-85 . . . . . 0 N--CA 1.49 1.544 0 CA-C-O 121.567 0.699 . . . . 0.0 109.54 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 23.1 mt -75.91 -41.83 50.72 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.501 -0.749 . . . . 0.0 110.994 -178.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 58.9 t0 -65.36 -50.01 67.19 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.878 -1.139 . . . . 0.0 110.459 -178.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.78 -48.95 66.43 Favored Glycine 0 N--CA 1.494 2.563 0 N-CA-C 109.975 -1.25 . . . . 0.0 109.975 -179.32 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.515 HD11 HG11 ' B' ' 31' ' ' VAL . 77.6 mt -58.9 -39.67 78.29 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.13 -1.218 . . . . 0.0 110.361 -179.588 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -54.16 -46.17 72.22 Favored 'General case' 0 C--N 1.296 -1.737 0 O-C-N 120.491 -1.38 . . . . 0.0 108.946 -179.214 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -70.08 -42.75 72.37 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.911 -1.118 . . . . 0.0 109.583 178.271 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.39 -38.28 84.45 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.284 -0.885 . . . . 0.0 109.292 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.462 ' N ' ' O ' ' A' ' 5' ' ' ILE . 60.1 tt0 -57.44 -40.64 78.86 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.613 -0.679 . . . . 0.0 109.41 -179.671 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -61.13 -40.48 93.96 Favored 'General case' 0 C--N 1.301 -1.502 0 C-N-CA 118.992 -1.083 . . . . 0.0 108.836 179.393 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 15.2 tm-20 -62.44 -40.7 97.41 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.046 -1.034 . . . . 0.0 109.331 179.145 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.556 ' O ' ' N ' ' A' ' 16' ' ' HIS . 13.2 t60 -59.96 -44.16 94.59 Favored 'General case' 0 C--N 1.304 -1.401 0 C-N-CA 119.225 -0.99 . . . . 0.0 109.029 179.723 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -60.68 -45.64 93.41 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.839 -1.163 . . . . 0.0 110.934 -179.526 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 54.5 mtmt -60.47 -32.21 71.19 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.09 -1.006 . . . . 0.0 112.595 -178.314 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 45.3 m-85 -137.87 -4.98 1.73 Allowed 'General case' 0 N--CA 1.509 2.475 0 O-C-N 120.65 -1.281 . . . . 0.0 113.043 -177.04 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.556 ' N ' ' O ' ' A' ' 12' ' ' HIS . 92.7 m-70 54.71 42.72 31.01 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 120.503 -1.373 . . . . 0.0 107.511 -177.788 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 78.6 p -63.89 158.01 23.27 Favored 'General case' 0 C--N 1.297 -1.689 0 CA-C-O 121.504 0.669 . . . . 0.0 110.73 -178.232 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 -74.31 159.03 32.97 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.594 -0.691 . . . . 0.0 109.261 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 38.6 p-90 -57.71 -29.79 64.99 Favored 'General case' 0 C--N 1.303 -1.432 0 C-N-CA 119.33 -0.948 . . . . 0.0 109.909 -179.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 80.4 mtm180 -63.87 -40.29 96.2 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 120.898 -1.126 . . . . 0.0 110.364 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.83 -47.81 61.34 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.125 -0.984 . . . . 0.0 108.984 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 78.2 mtm -61.05 -40.23 92.86 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.316 -0.865 . . . . 0.0 109.447 179.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.5 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -59.63 -45.87 90.67 Favored 'General case' 0 N--CA 1.492 1.626 0 C-N-CA 119.513 -0.875 . . . . 0.0 109.174 179.569 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 43.6 t -70.76 -37.16 73.38 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.506 -0.746 . . . . 0.0 110.249 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -60.24 -39.31 86.24 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.258 -0.901 . . . . 0.0 109.962 -178.397 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -111.51 -2.52 15.47 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.566 -0.709 . . . . 0.0 110.045 -179.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.5 ' N ' ' O ' ' A' ' 23' ' ' ALA . 11.1 t-20 59.74 47.09 10.79 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.639 -0.663 . . . . 0.0 109.562 179.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 53.0 mt -113.62 152.15 45.18 Favored Pre-proline 0 N--CA 1.502 2.157 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 179.353 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -60.13 149.39 85.16 Favored 'Trans proline' 0 C--N 1.312 -1.345 0 C-N-CA 121.65 1.566 . . . . 0.0 111.509 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -41.19 -37.7 2.99 Favored 'Trans proline' 0 C--N 1.31 -1.455 0 C-N-CA 121.922 1.748 . . . . 0.0 111.854 178.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.55 HG11 HD11 ' B' ' 5' ' ' ILE . 98.4 t -50.49 -51.83 17.66 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.766 0 O-C-N 121.264 -0.897 . . . . 0.0 110.747 -177.745 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 58.1 t -66.32 -48.54 80.66 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.937 0 C-N-CA 118.545 -1.262 . . . . 0.0 109.327 -178.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.54 -46.69 84.8 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.281 -0.887 . . . . 0.0 110.491 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 43.7 mtmt -60.52 -37.44 81.18 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 120.895 -1.128 . . . . 0.0 110.199 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.2 tm-20 -60.81 -39.97 90.95 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.012 -1.055 . . . . 0.0 110.107 -178.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 50.0 mt -59.72 -39.74 80.54 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 O-C-N 120.789 -1.194 . . . . 0.0 108.702 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 59.8 t -63.68 -39.66 86.17 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.029 -1.045 . . . . 0.0 108.506 179.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.414 ' O ' ' OE1' ' A' ' 44' ' ' GLN . . . -60.65 -31.18 70.4 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.521 -0.737 . . . . 0.0 109.344 179.015 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 68.5 m -77.09 -28.19 54.43 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.277 -0.89 . . . . 0.0 109.864 -179.213 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 43.0 t -82.25 103.11 11.6 Favored 'General case' 0 N--CA 1.486 1.365 0 O-C-N 121.273 -0.892 . . . . 0.0 109.899 -179.629 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -60.57 -29.96 69.51 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.458 -0.776 . . . . 0.0 110.023 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 64.1 mttp -69.97 -39.53 75.9 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.939 -1.101 . . . . 0.0 110.703 -178.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 62.1 m -84.99 -30.1 24.47 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.705 -1.247 . . . . 0.0 109.639 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.549 ' NE2' ' OE1' ' B' ' 44' ' ' GLN . 55.5 tt0 -78.9 -69.73 0.55 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.062 -1.024 . . . . 0.0 110.212 -179.239 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 40.0 mt -80.09 99.99 7.99 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.056 -1.028 . . . . 0.0 109.522 -179.372 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -90.64 -8.23 50.58 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.218 -0.926 . . . . 0.0 108.828 179.38 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.84 35.79 11.04 Favored Glycine 0 N--CA 1.493 2.456 0 N-CA-C 109.854 -1.298 . . . . 0.0 109.854 179.443 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -74.8 -10.32 59.39 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.125 -1.221 . . . . 0.0 110.072 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 1.096 ' HB3' ' HB3' ' B' ' 49' ' ' ALA . . . -92.05 4.09 53.84 Favored 'General case' 0 N--CA 1.501 2.114 0 O-C-N 121.072 -1.018 . . . . 0.0 109.484 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 23.7 ptm -64.4 160.76 18.4 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.199 -0.938 . . . . 0.0 109.524 -179.599 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 42.1 p-80 -65.06 157.43 28.48 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.457 -0.777 . . . . 0.0 109.91 -179.136 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -97.37 -85.24 1.78 Allowed Glycine 0 N--CA 1.492 2.383 0 N-CA-C 108.739 -1.745 . . . . 0.0 108.739 179.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.416 ' O ' ' O ' ' A' ' 54' ' ' VAL . 86.3 mt-30 -122.73 79.42 1.63 Allowed 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.817 -0.814 . . . . 0.0 108.854 179.499 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.439 HG12 ' N ' ' A' ' 55' ' ' ASP . 8.0 t 55.68 168.39 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 O-C-N 121.12 -0.987 . . . . 0.0 109.627 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.439 ' N ' HG12 ' A' ' 54' ' ' VAL . 62.4 t0 . . . . . 0 N--CA 1.495 1.799 0 CA-C-O 117.955 -1.021 . . . . 0.0 109.34 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . 0.466 ' O ' HD12 ' B' ' 5' ' ' ILE . 88.3 m-85 . . . . . 0 N--CA 1.488 1.455 0 CA-C-O 121.511 0.672 . . . . 0.0 109.55 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 23.5 mt -76.45 -42.83 42.51 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.58 -0.7 . . . . 0.0 110.649 -179.016 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 57.2 t0 -63.27 -52.05 63.64 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.067 -1.021 . . . . 0.0 110.518 -178.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.61 -49.53 72.59 Favored Glycine 0 N--CA 1.495 2.592 0 N-CA-C 110.205 -1.158 . . . . 0.0 110.205 -179.245 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.55 HD11 HG11 ' A' ' 31' ' ' VAL . 79.1 mt -58.87 -38.74 74.8 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.279 -1.13 . . . . 0.0 110.337 -179.579 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -54.68 -45.7 73.96 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 120.669 -1.269 . . . . 0.0 108.759 -179.467 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -70.36 -42.53 71.68 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.043 -1.036 . . . . 0.0 109.658 178.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.06 -38.89 82.95 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.312 -0.868 . . . . 0.0 109.563 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . 0.415 ' N ' ' O ' ' B' ' 5' ' ' ILE . 59.2 tt0 -57.41 -40.44 78.3 Favored 'General case' 0 C--N 1.298 -1.649 0 O-C-N 121.268 -0.895 . . . . 0.0 109.131 -179.749 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -61.14 -41.31 96.5 Favored 'General case' 0 C--N 1.302 -1.496 0 C-N-CA 119.093 -1.043 . . . . 0.0 108.605 179.126 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 15.2 tm-20 -61.73 -40.69 95.96 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.217 -0.927 . . . . 0.0 109.211 179.26 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . 0.512 ' O ' ' N ' ' B' ' 16' ' ' HIS . 12.7 t60 -59.87 -43.46 94.71 Favored 'General case' 0 C--N 1.302 -1.492 0 C-N-CA 119.099 -1.04 . . . . 0.0 109.123 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -61.08 -45.75 93.45 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.093 -1.004 . . . . 0.0 111.068 -179.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 54.8 mtmt -60.74 -31.04 70.37 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.23 -0.919 . . . . 0.0 113.004 -178.319 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 48.1 m-85 -139.15 -5.05 1.47 Allowed 'General case' 0 N--CA 1.507 2.404 0 O-C-N 120.614 -1.304 . . . . 0.0 112.7 -176.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.512 ' N ' ' O ' ' B' ' 12' ' ' HIS . 91.8 m-70 54.35 42.05 31.64 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 120.629 -1.294 . . . . 0.0 107.9 -178.018 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 82.4 p -62.61 159.0 16.87 Favored 'General case' 0 C--N 1.297 -1.676 0 CA-C-O 121.573 0.702 . . . . 0.0 110.64 -178.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -75.31 159.39 31.53 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.493 -0.754 . . . . 0.0 109.61 179.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 32.5 p-90 -57.85 -30.06 65.48 Favored 'General case' 0 C--N 1.305 -1.365 0 C-N-CA 119.503 -0.879 . . . . 0.0 110.065 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 79.2 mtm180 -63.34 -40.66 97.91 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.12 -0.988 . . . . 0.0 110.053 179.581 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.69 -48.01 61.16 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.346 -0.846 . . . . 0.0 109.158 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 77.3 mtm -60.34 -40.73 91.75 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.431 -0.793 . . . . 0.0 109.221 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.517 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -58.95 -46.43 88.05 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.393 -0.817 . . . . 0.0 109.303 179.407 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 47.8 t -70.32 -37.65 74.76 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.54 -0.725 . . . . 0.0 110.261 179.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -59.89 -39.16 84.4 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.372 -0.83 . . . . 0.0 110.109 -178.468 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -112.24 -2.36 14.91 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.555 -0.715 . . . . 0.0 109.795 -179.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.517 ' N ' ' O ' ' B' ' 23' ' ' ALA . 11.6 t-20 59.36 48.84 9.55 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.52 -0.738 . . . . 0.0 109.466 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 53.8 mt -115.03 152.48 46.62 Favored Pre-proline 0 N--CA 1.501 2.113 0 N-CA-C 108.412 -0.959 . . . . 0.0 108.412 179.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -60.35 150.18 81.87 Favored 'Trans proline' 0 C--N 1.313 -1.303 0 C-N-CA 121.518 1.479 . . . . 0.0 111.722 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -41.87 -37.79 4.37 Favored 'Trans proline' 0 C--N 1.308 -1.575 0 C-N-CA 121.885 1.723 . . . . 0.0 111.584 178.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.515 HG11 HD11 ' A' ' 5' ' ' ILE . 73.8 t -50.72 -51.97 18.15 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.622 0 O-C-N 121.19 -0.944 . . . . 0.0 110.916 -177.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 84.0 t -66.54 -48.19 81.23 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.015 0 C-N-CA 118.561 -1.256 . . . . 0.0 109.235 -179.338 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.61 -46.87 83.79 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.315 -0.866 . . . . 0.0 110.385 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 43.5 mtmt -60.94 -36.48 79.44 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.868 -1.145 . . . . 0.0 110.296 -179.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -60.78 -39.85 90.37 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 119.212 -0.995 . . . . 0.0 110.164 -178.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 50.9 mt -59.82 -40.1 81.73 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 O-C-N 120.871 -1.143 . . . . 0.0 108.76 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 58.2 t -63.24 -40.17 88.04 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.451 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 179.395 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . 0.548 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -60.73 -31.27 70.58 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.402 -0.811 . . . . 0.0 109.501 179.147 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 66.7 m -77.06 -28.18 54.59 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.238 -0.914 . . . . 0.0 109.63 -179.569 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 48.2 t -82.05 102.01 10.73 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.31 -0.869 . . . . 0.0 110.068 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -60.12 -29.94 68.95 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.424 -0.798 . . . . 0.0 110.212 179.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -69.63 -38.46 77.22 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 120.868 -1.145 . . . . 0.0 110.847 -178.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 60.0 m -85.93 -31.21 22.26 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.922 -1.111 . . . . 0.0 109.863 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . 0.549 ' OE1' ' NE2' ' A' ' 44' ' ' GLN . 6.7 tt0 -77.87 -69.14 0.56 Allowed 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.181 -0.95 . . . . 0.0 110.085 -178.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 34.9 mt -80.82 101.0 9.1 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.078 -1.014 . . . . 0.0 109.452 -179.372 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -91.57 -7.5 50.05 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.24 -0.912 . . . . 0.0 108.599 179.358 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.68 36.6 10.29 Favored Glycine 0 N--CA 1.494 2.519 0 N-CA-C 109.913 -1.275 . . . . 0.0 109.913 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -75.38 -11.02 59.96 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.283 -1.127 . . . . 0.0 110.114 -179.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . 1.096 ' HB3' ' HB3' ' A' ' 49' ' ' ALA . . . -91.87 5.64 49.2 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.045 -1.034 . . . . 0.0 109.567 -179.764 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 22.9 ptm -65.76 162.2 19.21 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.045 -1.035 . . . . 0.0 109.546 -179.649 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 38.0 p-80 -65.59 155.82 34.63 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.438 -0.789 . . . . 0.0 109.893 -179.068 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -94.64 -86.46 1.68 Allowed Glycine 0 N--CA 1.493 2.467 0 N-CA-C 108.621 -1.791 . . . . 0.0 108.621 179.64 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . 0.405 ' O ' ' O ' ' B' ' 54' ' ' VAL . 83.3 mt-30 -122.44 79.06 1.57 Allowed 'General case' 0 N--CA 1.492 1.653 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 179.347 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.405 ' O ' ' O ' ' B' ' 53' ' ' GLN . 5.0 t 56.68 167.21 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.353 -0.842 . . . . 0.0 109.668 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.401 ' N ' HG12 ' B' ' 54' ' ' VAL . 60.6 t0 . . . . . 0 N--CA 1.496 1.844 0 CA-C-O 118.016 -0.992 . . . . 0.0 109.519 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.458 ' CE2' ' CE2' ' B' ' 1' ' ' PHE . 76.4 m-85 . . . . . 0 N--CA 1.49 1.538 0 CA-C-O 121.368 0.604 . . . . 0.0 110.214 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 14.1 mt -71.39 -35.56 71.09 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.275 -0.891 . . . . 0.0 111.245 -178.274 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 -62.77 -52.46 63.12 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.722 -1.236 . . . . 0.0 110.685 -178.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.04 -44.98 93.55 Favored Glycine 0 N--CA 1.49 2.264 0 N-CA-C 109.9 -1.28 . . . . 0.0 109.9 -179.511 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.505 HD11 HG11 ' B' ' 31' ' ' VAL . 87.2 mt -60.01 -39.55 80.6 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.471 0 O-C-N 121.267 -1.137 . . . . 0.0 110.945 -179.303 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -55.05 -45.71 75.3 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.035 -1.04 . . . . 0.0 108.942 -179.101 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 36.1 mtmm -69.6 -43.93 71.76 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 120.976 -1.078 . . . . 0.0 109.478 178.597 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.96 -34.2 77.57 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.321 -0.862 . . . . 0.0 109.57 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.415 ' N ' ' O ' ' A' ' 5' ' ' ILE . 56.1 tt0 -57.75 -42.25 83.56 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.061 -1.024 . . . . 0.0 108.902 -179.658 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -61.91 -40.75 96.56 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.386 -0.821 . . . . 0.0 109.046 179.421 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.2 tm-20 -61.16 -40.52 94.17 Favored 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 179.303 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.538 ' O ' ' N ' ' A' ' 16' ' ' HIS . 13.3 t60 -62.59 -46.54 87.85 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 120.019 -0.672 . . . . 0.0 110.192 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 78.5 tt0 -60.68 -42.62 97.47 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.237 -0.915 . . . . 0.0 110.616 -179.404 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -63.1 -30.62 71.74 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.33 -0.856 . . . . 0.0 112.621 -178.281 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -140.34 -4.67 1.28 Allowed 'General case' 0 N--CA 1.507 2.41 0 O-C-N 120.759 -1.213 . . . . 0.0 112.969 -176.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.538 ' N ' ' O ' ' A' ' 12' ' ' HIS . 90.7 m-70 54.52 45.19 27.5 Favored 'General case' 0 N--CA 1.495 1.809 0 N-CA-C 107.154 -1.424 . . . . 0.0 107.154 -177.514 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 95.1 p -65.86 156.16 34.18 Favored 'General case' 0 C--N 1.305 -1.336 0 CA-C-O 121.36 0.6 . . . . 0.0 110.363 -178.581 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -73.07 159.29 33.83 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.416 -0.803 . . . . 0.0 108.918 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 42.2 p-90 -56.9 -29.43 63.02 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.303 -0.873 . . . . 0.0 110.225 -179.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 72.3 mtm180 -62.61 -40.6 97.47 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.621 -1.299 . . . . 0.0 109.823 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.16 -50.42 61.24 Favored 'General case' 0 C--N 1.3 -1.552 0 C-N-CA 119.694 -0.802 . . . . 0.0 109.59 -179.052 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 78.0 mtm -61.16 -40.66 94.69 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 121.33 -0.857 . . . . 0.0 109.35 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.483 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -58.02 -49.77 75.72 Favored 'General case' 0 C--N 1.303 -1.43 0 C-N-CA 119.521 -0.871 . . . . 0.0 109.231 179.739 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 42.7 t -70.41 -36.43 74.03 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.672 -0.642 . . . . 0.0 110.382 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -59.87 -40.42 88.6 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.261 -0.899 . . . . 0.0 110.524 -178.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -112.17 0.27 15.79 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 121.388 -0.82 . . . . 0.0 109.905 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.483 ' N ' ' O ' ' A' ' 23' ' ' ALA . 42.2 t30 60.01 46.28 11.09 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.233 -0.917 . . . . 0.0 109.937 179.619 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 51.0 mt -110.32 151.69 42.79 Favored Pre-proline 0 N--CA 1.5 2.065 0 N-CA-C 108.204 -1.036 . . . . 0.0 108.204 179.446 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 21.5 Cg_endo -60.9 162.29 19.38 Favored 'Trans proline' 0 N--CA 1.492 1.421 0 C-N-CA 121.776 1.65 . . . . 0.0 111.269 179.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_endo -56.42 -34.85 95.56 Favored 'Trans proline' 0 C--N 1.302 -1.901 0 C-N-CA 122.267 1.978 . . . . 0.0 111.974 -179.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.41 HG11 HD11 ' B' ' 5' ' ' ILE . 79.7 t -56.21 -49.44 76.2 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.618 0 O-C-N 120.839 -1.163 . . . . 0.0 109.649 -179.158 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 66.2 t -64.96 -49.3 80.38 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.781 0 C-N-CA 118.712 -1.195 . . . . 0.0 109.464 -179.085 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.16 -46.28 81.52 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.548 -0.72 . . . . 0.0 110.361 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.468 ' CB ' ' NZ ' ' A' ' 34' ' ' LYS . 8.4 mtmp? -61.29 -34.87 75.92 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 120.607 -1.308 . . . . 0.0 109.829 179.47 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.436 ' OE2' ' NZ ' ' B' ' 34' ' ' LYS . 16.0 tm-20 -61.04 -39.96 91.78 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.918 -1.114 . . . . 0.0 110.362 -179.25 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 69.8 mt -60.38 -39.44 80.99 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 O-C-N 120.922 -1.111 . . . . 0.0 108.092 179.437 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 94.6 t -65.6 -39.03 83.77 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.421 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 178.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.408 ' O ' ' OE1' ' A' ' 44' ' ' GLN . . . -61.24 -30.7 70.61 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.684 -0.635 . . . . 0.0 109.691 179.721 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.9 m -80.2 -26.18 39.32 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.806 -1.184 . . . . 0.0 109.638 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 40.8 t -81.35 102.44 10.45 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.211 -0.93 . . . . 0.0 109.483 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -60.06 -29.62 68.66 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.563 -0.711 . . . . 0.0 110.37 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -69.87 -39.9 76.03 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.791 -1.193 . . . . 0.0 110.384 -178.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 69.2 m -84.64 -23.65 29.42 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.03 -1.044 . . . . 0.0 109.343 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.408 ' OE1' ' O ' ' A' ' 38' ' ' ALA . 36.2 tt0 -78.51 -70.34 0.5 Allowed 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.936 -1.103 . . . . 0.0 109.019 179.278 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 81.8 mt -81.72 108.81 15.57 Favored 'General case' 0 N--CA 1.491 1.609 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 179.346 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 23.5 ttpp -89.16 2.72 53.77 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.193 -0.942 . . . . 0.0 108.962 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 108.78 1.4 32.26 Favored Glycine 0 N--CA 1.497 2.714 0 N-CA-C 109.634 -1.386 . . . . 0.0 109.634 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 75.5 mt-10 -71.22 -149.94 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.259 -1.142 . . . . 0.0 108.541 179.394 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 56.0 26.43 9.95 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 120.8 -1.187 . . . . 0.0 109.926 179.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 23.3 ptt? -69.85 144.05 52.67 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.048 -1.033 . . . . 0.0 108.807 179.213 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 51.3 t-80 -59.03 -37.95 78.17 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.057 -1.027 . . . . 0.0 109.554 -179.179 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 161.85 177.54 35.0 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.208 -1.557 . . . . 0.0 109.208 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.508 ' O ' ' O ' ' A' ' 54' ' ' VAL . 53.6 tp60 -98.89 35.23 1.91 Allowed 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.299 -1.118 . . . . 0.0 109.018 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.508 ' O ' ' O ' ' A' ' 53' ' ' GLN . 30.0 m 48.81 115.12 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.5 2.05 0 CA-C-O 122.651 1.215 . . . . 0.0 110.805 -179.49 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 45.9 p-10 . . . . . 0 N--CA 1.493 1.704 0 O-C-N 120.661 -1.274 . . . . 0.0 109.582 -179.133 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . 0.458 ' CE2' ' CE2' ' A' ' 1' ' ' PHE . 74.8 m-85 . . . . . 0 N--CA 1.49 1.568 0 CA-C-O 121.235 0.541 . . . . 0.0 110.162 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 14.2 mt -71.6 -35.9 70.66 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.229 -0.92 . . . . 0.0 111.351 -178.272 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -62.71 -50.82 69.62 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 120.649 -1.282 . . . . 0.0 110.775 -178.617 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.89 -45.48 87.9 Favored Glycine 0 N--CA 1.487 2.079 0 N-CA-C 109.99 -1.244 . . . . 0.0 109.99 -179.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.422 HD12 ' O ' ' B' ' 1' ' ' PHE . 86.3 mt -60.02 -39.64 80.88 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.472 0 O-C-N 121.339 -1.095 . . . . 0.0 111.025 -179.101 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -55.28 -45.43 76.19 Favored 'General case' 0 C--N 1.304 -1.404 0 C-N-CA 119.015 -1.074 . . . . 0.0 108.963 -178.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 36.5 mtmm -69.68 -44.02 71.33 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.062 -1.024 . . . . 0.0 109.029 178.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.63 -34.7 78.83 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.284 -0.885 . . . . 0.0 109.674 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 57.7 tt0 -57.83 -41.72 82.86 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.021 -1.049 . . . . 0.0 109.089 -179.483 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -62.21 -40.64 96.77 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.146 -0.971 . . . . 0.0 109.08 179.088 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 14.6 tm-20 -61.06 -40.59 94.24 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.171 -0.956 . . . . 0.0 108.676 179.493 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . 0.523 ' O ' ' N ' ' B' ' 16' ' ' HIS . 13.4 t60 -62.45 -46.44 88.52 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 119.79 -0.764 . . . . 0.0 110.323 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 -60.45 -42.34 95.94 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.2 -0.937 . . . . 0.0 110.548 -179.583 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -63.75 -30.34 71.45 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.054 -1.028 . . . . 0.0 112.644 -178.235 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -140.36 -4.68 1.28 Allowed 'General case' 0 N--CA 1.507 2.387 0 O-C-N 120.693 -1.255 . . . . 0.0 112.958 -176.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.523 ' N ' ' O ' ' B' ' 12' ' ' HIS . 90.4 m-70 54.47 44.58 28.6 Favored 'General case' 0 N--CA 1.498 1.96 0 N-CA-C 107.115 -1.439 . . . . 0.0 107.115 -177.693 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 99.2 p -65.45 156.1 33.46 Favored 'General case' 0 C--N 1.302 -1.497 0 CA-C-O 121.574 0.702 . . . . 0.0 110.48 -178.41 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -72.79 158.69 35.08 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.093 -1.004 . . . . 0.0 109.445 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 38.7 p-90 -56.91 -29.26 62.89 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.043 -1.036 . . . . 0.0 110.526 -179.47 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 72.3 mtm180 -62.35 -40.63 97.02 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.675 -1.266 . . . . 0.0 109.864 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.34 -50.36 60.26 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.277 -0.889 . . . . 0.0 109.571 -179.27 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 77.8 mtm -61.13 -39.79 91.37 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 121.206 -0.934 . . . . 0.0 109.397 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.489 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -58.63 -49.2 78.37 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.302 -0.874 . . . . 0.0 109.01 179.773 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 38.3 t -70.6 -37.41 73.88 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.621 -0.675 . . . . 0.0 110.267 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 54.1 t0 -59.12 -40.46 85.49 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.244 -0.91 . . . . 0.0 110.49 -178.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -112.26 0.68 15.83 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.483 -0.761 . . . . 0.0 109.8 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.489 ' N ' ' O ' ' B' ' 23' ' ' ALA . 42.3 t30 59.68 44.51 14.19 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.194 -0.941 . . . . 0.0 110.203 179.474 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 48.3 mt -108.89 151.04 41.63 Favored Pre-proline 0 N--CA 1.499 1.976 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 179.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -60.81 162.6 18.2 Favored 'Trans proline' 0 C--N 1.312 -1.356 0 C-N-CA 121.496 1.464 . . . . 0.0 111.12 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_endo -56.62 -33.96 94.5 Favored 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 122.49 2.127 . . . . 0.0 112.24 -179.6 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.505 HG11 HD11 ' A' ' 5' ' ' ILE . 82.9 t -56.9 -49.24 79.67 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.693 0 O-C-N 120.776 -1.202 . . . . 0.0 109.624 -179.299 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . 0.403 HG13 HD11 ' B' ' 5' ' ' ILE . 66.2 t -65.39 -49.09 80.49 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.845 0 C-N-CA 118.673 -1.211 . . . . 0.0 109.236 -178.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.49 -46.23 80.56 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.586 -0.696 . . . . 0.0 110.204 -179.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.459 ' CB ' ' NZ ' ' B' ' 34' ' ' LYS . 8.3 mtmp? -61.24 -35.42 77.2 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.645 -1.284 . . . . 0.0 109.852 179.31 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 16.3 tm-20 -60.87 -39.92 90.98 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 120.98 -1.075 . . . . 0.0 110.246 -179.146 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 73.6 mt -60.2 -40.04 82.41 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 120.737 -1.227 . . . . 0.0 107.982 179.594 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 89.7 t -64.55 -40.07 87.77 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.566 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 178.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . 0.586 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -60.09 -31.79 70.35 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.296 -0.878 . . . . 0.0 109.765 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 49.8 m -79.42 -26.43 41.87 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 120.855 -1.153 . . . . 0.0 109.483 -179.391 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 42.5 t -81.41 102.18 10.33 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.245 -0.909 . . . . 0.0 109.41 -179.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -60.54 -28.92 68.79 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.511 -0.743 . . . . 0.0 110.597 -179.545 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 61.5 mttp -69.94 -39.85 75.84 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.898 -1.126 . . . . 0.0 110.058 -179.368 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 69.3 m -84.7 -24.26 29.0 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.176 -0.952 . . . . 0.0 109.326 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . 0.586 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 17.3 tt0 -77.56 -70.05 0.5 Allowed 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.044 -1.035 . . . . 0.0 108.907 179.32 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 78.3 mt -81.52 108.51 15.17 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.251 -0.906 . . . . 0.0 108.849 179.438 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 23.4 ttpp -89.51 2.84 54.04 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.089 -1.007 . . . . 0.0 108.803 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 109.1 0.34 31.55 Favored Glycine 0 N--CA 1.499 2.883 0 N-CA-C 109.74 -1.344 . . . . 0.0 109.74 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 77.1 mt-10 -70.79 -150.04 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.139 -1.212 . . . . 0.0 108.709 179.221 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . 55.57 27.03 9.8 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.045 -1.034 . . . . 0.0 109.828 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 23.2 ptt? -70.4 145.12 51.29 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.055 -1.028 . . . . 0.0 108.63 179.209 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 50.5 t-80 -59.68 -38.23 80.94 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.073 -1.017 . . . . 0.0 109.659 -179.496 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 162.29 178.51 36.23 Favored Glycine 0 N--CA 1.492 2.379 0 N-CA-C 109.48 -1.448 . . . . 0.0 109.48 179.526 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . 0.514 ' O ' ' O ' ' B' ' 54' ' ' VAL . 53.7 tp60 -98.94 35.22 1.92 Allowed 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.4 -1.059 . . . . 0.0 109.039 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.514 ' O ' ' O ' ' B' ' 53' ' ' GLN . 35.7 m 49.2 115.17 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.502 2.133 0 CA-C-O 122.447 1.118 . . . . 0.0 110.819 -179.451 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 45.6 p-10 . . . . . 0 N--CA 1.492 1.629 0 O-C-N 120.798 -1.189 . . . . 0.0 109.582 -179.342 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 37.4 m-85 . . . . . 0 N--CA 1.489 1.506 0 CA-C-O 121.428 0.632 . . . . 0.0 109.981 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 55.9 mt -71.54 -31.09 66.64 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.324 -0.86 . . . . 0.0 112.084 -178.275 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -62.63 -51.85 65.64 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.641 -1.287 . . . . 0.0 110.693 -178.143 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.15 -42.19 77.28 Favored Glycine 0 N--CA 1.491 2.322 0 N-CA-C 109.936 -1.266 . . . . 0.0 109.936 -179.484 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.414 ' O ' ' N ' ' A' ' 9' ' ' GLN . 91.9 mt -59.92 -40.45 82.91 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.547 0 O-C-N 121.412 -1.052 . . . . 0.0 110.105 -179.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -55.45 -47.01 76.73 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 120.897 -1.127 . . . . 0.0 108.855 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 17.4 ttmm -68.43 -44.45 74.95 Favored 'General case' 0 C--N 1.3 -1.56 0 C-N-CA 119.59 -0.844 . . . . 0.0 109.314 179.029 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.19 -36.34 83.74 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.476 -0.765 . . . . 0.0 109.039 179.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.414 ' N ' ' O ' ' A' ' 5' ' ' ILE . 55.4 tt0 -58.84 -40.28 83.76 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.337 -0.852 . . . . 0.0 109.309 -179.401 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -60.67 -39.94 90.24 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.067 -1.021 . . . . 0.0 108.391 178.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.7 tm-20 -60.48 -41.26 93.85 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.334 -0.854 . . . . 0.0 108.875 178.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.537 ' O ' ' N ' ' A' ' 16' ' ' HIS . 17.6 t60 -61.77 -44.77 96.23 Favored 'General case' 0 C--N 1.304 -1.412 0 C-N-CA 119.289 -0.964 . . . . 0.0 109.88 179.76 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.1 tp10 -60.53 -45.28 94.41 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.06 -1.025 . . . . 0.0 110.34 -179.19 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 52.6 mtmt -60.98 -32.2 71.77 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.48 -0.762 . . . . 0.0 112.973 -178.157 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 52.0 m-85 -137.69 -6.02 1.73 Allowed 'General case' 0 N--CA 1.506 2.33 0 O-C-N 120.765 -1.209 . . . . 0.0 112.812 -176.609 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.537 ' N ' ' O ' ' A' ' 12' ' ' HIS . 91.8 m-70 53.97 46.43 25.58 Favored 'General case' 0 N--CA 1.495 1.784 0 N-CA-C 107.33 -1.359 . . . . 0.0 107.33 -177.58 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 87.7 p -69.06 159.68 32.43 Favored 'General case' 0 N--CA 1.486 1.355 0 CA-C-O 121.534 0.683 . . . . 0.0 110.616 -178.253 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -74.16 157.59 35.68 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 179.525 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 50.2 p-90 -59.25 -31.22 68.89 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.047 -1.033 . . . . 0.0 109.841 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 83.6 mtm180 -61.47 -40.67 95.36 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.936 -1.103 . . . . 0.0 108.691 179.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.89 -49.75 55.52 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.354 -0.841 . . . . 0.0 109.038 179.432 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 76.2 mtm -61.48 -41.81 97.83 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.141 -0.975 . . . . 0.0 109.635 179.672 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.525 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -59.92 -43.54 94.86 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.205 -0.935 . . . . 0.0 109.022 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 8.6 t -71.7 -34.78 69.9 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.626 -0.671 . . . . 0.0 109.949 179.449 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -61.77 -42.61 99.21 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.39 -0.819 . . . . 0.0 109.642 -179.41 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -108.2 0.15 21.3 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.64 -0.663 . . . . 0.0 110.227 -179.492 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.525 ' N ' ' O ' ' A' ' 23' ' ' ALA . 75.5 m-20 53.65 48.31 21.86 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.382 -0.824 . . . . 0.0 109.565 179.702 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 83.5 mt -112.34 149.29 40.79 Favored Pre-proline 0 N--CA 1.499 2.006 0 O-C-N 121.172 -0.955 . . . . 0.0 108.981 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_exo -44.66 145.3 2.81 Favored 'Trans proline' 0 N--CA 1.49 1.268 0 C-N-CA 121.785 1.657 . . . . 0.0 111.252 178.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -46.61 -39.19 22.9 Favored 'Trans proline' 0 C--N 1.31 -1.485 0 C-N-CA 121.34 1.36 . . . . 0.0 111.268 178.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 67.1 t -51.91 -48.34 39.96 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.573 0 O-C-N 121.721 -0.612 . . . . 0.0 110.595 -178.476 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 60.7 t -65.19 -48.14 84.78 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.726 0 C-N-CA 118.293 -1.363 . . . . 0.0 109.209 -178.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.96 -46.33 78.51 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.387 -0.821 . . . . 0.0 109.467 179.33 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -60.25 -36.61 78.15 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.021 -1.05 . . . . 0.0 110.583 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.8 tm-20 -62.89 -37.63 87.72 Favored 'General case' 0 N--CA 1.487 1.406 0 C-N-CA 119.306 -0.958 . . . . 0.0 110.064 -179.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 84.4 mt -60.2 -40.04 82.43 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.448 0 O-C-N 120.707 -1.246 . . . . 0.0 109.137 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 77.2 t -63.69 -39.45 85.4 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 178.473 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.411 ' O ' ' OE1' ' A' ' 44' ' ' GLN . . . -59.77 -29.54 68.26 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.345 -0.847 . . . . 0.0 109.093 179.153 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 44.8 m -78.15 -29.43 48.68 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.142 -0.974 . . . . 0.0 109.531 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 38.5 t -80.6 105.71 12.06 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.1 -1.0 . . . . 0.0 109.665 -179.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -61.84 -30.48 70.87 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.307 -0.871 . . . . 0.0 110.37 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -69.84 -39.76 76.25 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.105 -0.997 . . . . 0.0 110.915 -178.411 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 98.5 m -85.66 -35.15 21.09 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 120.658 -1.276 . . . . 0.0 110.389 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.702 HE21 ' CG ' ' B' ' 44' ' ' GLN . 48.1 tt0 -69.93 -48.37 58.76 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.065 -1.022 . . . . 0.0 110.955 -178.703 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.9 mt -80.85 17.85 1.11 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.178 -0.951 . . . . 0.0 109.636 -178.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -84.2 128.82 34.81 Favored 'General case' 0 C--N 1.296 -1.723 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 179.332 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 149.08 -164.6 29.26 Favored Glycine 0 N--CA 1.491 2.323 0 N-CA-C 108.87 -1.692 . . . . 0.0 108.87 -179.459 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -88.24 122.59 31.95 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.172 -1.193 . . . . 0.0 109.885 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -97.92 152.45 19.22 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.268 -0.895 . . . . 0.0 109.058 179.494 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 1.8 tmt? -50.8 124.25 10.7 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 120.93 -1.107 . . . . 0.0 108.766 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 -151.59 -179.51 7.47 Favored 'General case' 0 C--N 1.299 -1.624 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 -179.142 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 119.62 119.16 2.76 Favored Glycine 0 N--CA 1.5 2.954 0 N-CA-C 109.722 -1.351 . . . . 0.0 109.722 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -93.14 123.84 36.7 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.422 -1.046 . . . . 0.0 108.674 179.448 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 1.4 t 48.37 -142.27 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 120.998 -1.064 . . . . 0.0 108.766 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 50.8 p-10 . . . . . 0 N--CA 1.492 1.654 0 CA-C-O 117.978 -1.01 . . . . 0.0 109.586 179.823 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 . . . . . 0 N--CA 1.488 1.437 0 CA-C-O 121.306 0.574 . . . . 0.0 109.977 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 53.3 mt -71.92 -31.18 66.1 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.303 -0.873 . . . . 0.0 112.141 -178.199 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 54.2 t0 -61.74 -51.25 69.11 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 120.541 -1.35 . . . . 0.0 110.923 -178.07 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.52 -42.37 73.14 Favored Glycine 0 N--CA 1.491 2.313 0 N-CA-C 109.664 -1.375 . . . . 0.0 109.664 -179.588 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 91.4 mt -59.34 -40.62 81.94 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.613 0 O-C-N 121.272 -1.134 . . . . 0.0 110.28 -179.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -55.73 -47.58 76.68 Favored 'General case' 0 C--N 1.303 -1.42 0 C-N-CA 119.101 -1.04 . . . . 0.0 108.474 -179.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 17.7 ttmm -68.34 -44.47 75.23 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.407 -0.808 . . . . 0.0 109.392 179.241 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.67 -35.98 82.78 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.384 -0.823 . . . . 0.0 109.087 179.516 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -58.06 -40.6 81.4 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.301 -0.874 . . . . 0.0 109.157 -179.537 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -60.41 -39.87 88.93 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.037 -1.04 . . . . 0.0 108.548 179.192 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 14.2 tm-20 -60.9 -40.74 94.24 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 119.53 -0.868 . . . . 0.0 108.86 179.209 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . 0.531 ' O ' ' N ' ' B' ' 16' ' ' HIS . 17.5 t60 -62.23 -44.82 95.71 Favored 'General case' 0 C--N 1.301 -1.503 0 C-N-CA 119.277 -0.969 . . . . 0.0 109.94 179.602 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 46.1 tp10 -60.69 -45.01 95.82 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.09 -1.006 . . . . 0.0 110.221 -179.391 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 52.5 mtmt -61.02 -32.54 72.14 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.295 -0.878 . . . . 0.0 112.886 -178.226 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 49.7 m-85 -137.26 -6.28 1.81 Allowed 'General case' 0 N--CA 1.509 2.505 0 O-C-N 120.667 -1.27 . . . . 0.0 112.903 -176.556 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.531 ' N ' ' O ' ' B' ' 12' ' ' HIS . 91.4 m-70 54.27 46.41 25.25 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 120.586 -1.321 . . . . 0.0 107.446 -177.587 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 88.6 p -68.61 159.43 32.01 Favored 'General case' 0 C--N 1.302 -1.467 0 CA-C-O 121.487 0.66 . . . . 0.0 110.608 -178.464 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -74.52 157.32 35.71 Favored 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 179.199 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 49.7 p-90 -58.89 -31.41 68.58 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 120.98 -1.075 . . . . 0.0 109.841 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 83.0 mtm180 -61.31 -40.53 94.54 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.866 -1.146 . . . . 0.0 108.768 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.95 -48.9 62.06 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.345 -0.847 . . . . 0.0 109.128 179.246 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 76.2 mtm -62.08 -41.81 98.56 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.095 -1.003 . . . . 0.0 109.699 179.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.524 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -59.71 -43.27 94.19 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.166 -0.959 . . . . 0.0 109.014 179.764 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 9.0 t -71.77 -34.93 69.86 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.528 -0.733 . . . . 0.0 110.079 179.67 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -61.49 -42.95 99.56 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.461 -0.774 . . . . 0.0 109.72 -179.277 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -108.45 -0.02 20.75 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.698 -0.626 . . . . 0.0 110.276 -179.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.524 ' N ' ' O ' ' B' ' 23' ' ' ALA . 77.5 m-20 54.2 47.46 23.09 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.388 -0.82 . . . . 0.0 109.642 179.582 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 82.1 mt -111.38 149.41 40.58 Favored Pre-proline 0 N--CA 1.499 1.982 0 O-C-N 121.28 -0.887 . . . . 0.0 109.624 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_exo -44.1 144.14 2.91 Favored 'Trans proline' 0 N--CA 1.488 1.15 0 C-N-CA 121.654 1.569 . . . . 0.0 111.386 178.516 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -45.7 -39.28 18.07 Favored 'Trans proline' 0 C--N 1.312 -1.389 0 C-N-CA 121.435 1.423 . . . . 0.0 111.062 178.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 69.0 t -51.84 -49.37 36.89 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.58 0 O-C-N 121.822 -0.549 . . . . 0.0 110.635 -178.553 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 58.8 t -64.72 -47.88 86.88 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.935 0 C-N-CA 118.315 -1.354 . . . . 0.0 109.22 -178.612 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.03 -46.38 78.07 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.084 -1.01 . . . . 0.0 109.594 179.139 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -60.24 -36.4 77.66 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.151 -0.968 . . . . 0.0 110.546 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 13.5 tm-20 -63.13 -37.86 88.89 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 120.915 -1.116 . . . . 0.0 109.922 -179.038 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 87.7 mt -59.58 -40.19 81.4 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.399 0 O-C-N 120.947 -1.096 . . . . 0.0 109.029 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 78.1 t -63.56 -39.27 84.73 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 178.587 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . 0.555 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -59.83 -30.1 68.72 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.415 -0.803 . . . . 0.0 108.928 179.07 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 35.4 m -77.67 -28.98 51.32 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.06 -1.025 . . . . 0.0 109.681 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 40.3 t -81.34 105.22 12.35 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.261 -0.9 . . . . 0.0 109.554 -179.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -61.36 -30.82 70.76 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.612 -0.68 . . . . 0.0 110.305 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -69.5 -39.75 77.41 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 120.977 -1.077 . . . . 0.0 111.199 -178.339 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 91.4 m -85.81 -35.57 20.59 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 120.813 -1.18 . . . . 0.0 110.136 -179.627 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . 0.702 ' CG ' HE21 ' A' ' 44' ' ' GLN . 6.2 tt0 -69.85 -47.92 60.86 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 120.643 -1.286 . . . . 0.0 111.167 -178.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 97.2 mt -80.96 17.73 1.15 Allowed 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.099 -1.001 . . . . 0.0 109.529 -179.172 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -84.08 129.54 34.9 Favored 'General case' 0 C--N 1.297 -1.686 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 179.566 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 148.53 -165.09 29.1 Favored Glycine 0 N--CA 1.489 2.194 0 N-CA-C 108.519 -1.832 . . . . 0.0 108.519 -179.267 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -87.96 122.42 31.54 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.418 -1.049 . . . . 0.0 109.753 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -97.42 152.82 18.57 Favored 'General case' 0 N--CA 1.496 1.829 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 179.487 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 1.8 tmt? -51.55 125.61 15.12 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.004 -1.06 . . . . 0.0 108.401 179.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 -152.58 -178.97 7.19 Favored 'General case' 0 C--N 1.3 -1.581 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 -179.115 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 119.65 121.76 2.97 Favored Glycine 0 N--CA 1.499 2.882 0 N-CA-C 109.536 -1.426 . . . . 0.0 109.536 179.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -95.31 122.86 38.46 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.559 -0.965 . . . . 0.0 108.56 179.612 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 1.5 t 48.55 -141.61 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.028 -1.045 . . . . 0.0 108.753 -179.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 52.7 p-10 . . . . . 0 N--CA 1.495 1.777 0 CA-C-O 117.868 -1.063 . . . . 0.0 109.514 179.841 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 . . . . . 0 N--CA 1.491 1.583 0 CA-C-O 121.442 0.639 . . . . 0.0 110.245 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 25.0 mt -70.1 -29.97 67.07 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.503 -0.748 . . . . 0.0 111.681 -177.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -62.57 -52.39 63.6 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.431 -1.418 . . . . 0.0 111.45 -178.039 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.89 -43.77 57.48 Favored Glycine 0 N--CA 1.489 2.201 0 N-CA-C 110.077 -1.209 . . . . 0.0 110.077 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.439 ' O ' ' N ' ' A' ' 9' ' ' GLN . 96.0 mt -58.7 -40.22 78.82 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.549 0 O-C-N 121.053 -1.263 . . . . 0.0 109.942 -179.523 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 57.0 t0 -56.23 -44.44 79.59 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 120.837 -1.165 . . . . 0.0 108.925 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.2 ttmp? -68.48 -46.24 70.25 Favored 'General case' 0 N--CA 1.494 1.759 0 C-N-CA 119.34 -0.944 . . . . 0.0 109.044 178.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.29 -34.91 78.71 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.496 -0.753 . . . . 0.0 109.453 179.527 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.439 ' N ' ' O ' ' A' ' 5' ' ' ILE . 6.7 tt0 -58.64 -39.88 81.83 Favored 'General case' 0 C--N 1.305 -1.347 0 O-C-N 121.313 -0.867 . . . . 0.0 109.35 -179.102 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -60.73 -39.78 89.92 Favored 'General case' 0 C--N 1.305 -1.349 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 178.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.8 tm-20 -60.5 -40.72 92.39 Favored 'General case' 0 N--CA 1.492 1.644 0 N-CA-C 108.223 -1.029 . . . . 0.0 108.223 179.132 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.551 ' O ' ' N ' ' A' ' 16' ' ' HIS . 16.3 t60 -62.55 -47.26 84.66 Favored 'General case' 0 C--N 1.306 -1.311 0 C-N-CA 119.261 -0.976 . . . . 0.0 109.752 179.643 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 76.0 tt0 -59.53 -45.58 91.34 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.053 -1.029 . . . . 0.0 110.244 -178.258 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 52.4 mtpt -60.69 -30.8 70.15 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.207 -0.933 . . . . 0.0 113.403 -178.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -138.85 -5.79 1.49 Allowed 'General case' 0 N--CA 1.507 2.397 0 O-C-N 120.515 -1.365 . . . . 0.0 112.519 -176.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.551 ' N ' ' O ' ' A' ' 12' ' ' HIS . 93.0 m-70 54.89 42.35 31.17 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 -177.653 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 96.3 p -61.05 156.45 17.9 Favored 'General case' 0 C--N 1.302 -1.481 0 C-N-CA 120.105 -0.638 . . . . 0.0 109.983 -179.06 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 33.5 m120 -73.06 155.08 40.13 Favored 'General case' 0 C--N 1.305 -1.344 0 O-C-N 121.264 -0.897 . . . . 0.0 109.425 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 34.0 p-90 -55.96 -29.42 60.18 Favored 'General case' 0 C--N 1.298 -1.655 0 C-N-CA 119.126 -1.03 . . . . 0.0 109.357 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 84.6 mtm180 -63.89 -40.78 97.33 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 120.86 -1.15 . . . . 0.0 110.209 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.02 -47.36 68.65 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.217 -0.927 . . . . 0.0 109.976 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 77.9 mtm -60.68 -38.36 84.68 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.065 -1.022 . . . . 0.0 109.615 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.505 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -56.67 -49.31 75.46 Favored 'General case' 0 C--N 1.301 -1.529 0 C-N-CA 118.993 -1.083 . . . . 0.0 108.532 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 21.5 t -69.85 -35.2 74.53 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.43 -0.794 . . . . 0.0 110.37 -179.642 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 58.4 t0 -59.07 -46.57 87.94 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.226 -0.921 . . . . 0.0 110.202 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -108.41 3.31 23.14 Favored 'General case' 0 N--CA 1.502 2.126 0 O-C-N 121.261 -0.899 . . . . 0.0 110.43 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.505 ' N ' ' O ' ' A' ' 23' ' ' ALA . 81.9 m-20 55.94 44.89 24.95 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.17 -0.956 . . . . 0.0 109.695 179.418 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 60.7 mt -108.54 152.28 42.03 Favored Pre-proline 0 N--CA 1.501 2.112 0 N-CA-C 107.683 -1.229 . . . . 0.0 107.683 179.437 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_endo -63.52 151.42 85.08 Favored 'Trans proline' 0 N--CA 1.49 1.313 0 C-N-CA 121.391 1.394 . . . . 0.0 111.26 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_exo -43.26 -38.78 8.24 Favored 'Trans proline' 0 N--CA 1.491 1.372 0 C-N-CA 122.463 2.109 . . . . 0.0 111.914 179.431 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 25.6 t -51.71 -51.5 26.75 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.63 0 O-C-N 121.417 -0.802 . . . . 0.0 110.471 -178.681 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.43 HG13 HD11 ' A' ' 5' ' ' ILE . 91.8 t -65.89 -46.85 87.38 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.753 0 C-N-CA 118.702 -1.199 . . . . 0.0 109.647 -178.523 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.72 -44.34 81.85 Favored 'General case' 0 C--N 1.299 -1.618 0 C-N-CA 119.584 -0.846 . . . . 0.0 109.983 -179.539 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.516 ' NZ ' ' OE2' ' B' ' 35' ' ' GLU . 10.2 mtpm? -61.21 -37.37 82.74 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.201 -0.937 . . . . 0.0 110.307 -179.775 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.42 ' OE2' ' NZ ' ' B' ' 34' ' ' LYS . 14.2 tm-20 -61.04 -36.91 80.82 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.883 -1.135 . . . . 0.0 109.77 -178.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 84.2 mt -59.72 -39.63 80.22 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.405 0 O-C-N 120.855 -1.153 . . . . 0.0 108.38 179.285 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 81.3 t -63.45 -39.37 85.07 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 O-C-N 121.303 -0.873 . . . . 0.0 109.097 179.362 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.44 ' O ' ' OE1' ' A' ' 44' ' ' GLN . . . -59.83 -33.94 72.43 Favored 'General case' 0 C--N 1.3 -1.568 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 179.532 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 34.8 m -74.53 -29.92 61.57 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.16 -0.962 . . . . 0.0 109.727 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 50.7 t -82.16 103.17 11.57 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.16 -0.963 . . . . 0.0 109.173 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -60.15 -30.01 69.03 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 120.967 -1.083 . . . . 0.0 110.373 -179.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -69.2 -38.73 78.78 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 120.888 -1.133 . . . . 0.0 110.922 -178.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 94.2 m -90.55 -14.96 31.52 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.216 -0.928 . . . . 0.0 109.65 179.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.44 ' OE1' ' O ' ' A' ' 38' ' ' ALA . 35.1 tt0 -70.3 -65.56 0.71 Allowed 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.184 -0.947 . . . . 0.0 109.562 -178.801 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 48.8 mt -80.01 107.56 12.9 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 120.753 -1.217 . . . . 0.0 108.552 179.296 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 37.3 tttp -94.57 131.54 40.21 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.061 -1.025 . . . . 0.0 110.737 -178.645 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 64.01 -155.59 45.43 Favored Glycine 0 N--CA 1.492 2.411 0 N-CA-C 110.146 -1.182 . . . . 0.0 110.146 178.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -75.41 148.0 39.51 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.444 -1.033 . . . . 0.0 109.967 -179.566 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -99.27 -139.74 0.32 Allowed 'General case' 0 N--CA 1.502 2.172 0 O-C-N 121.144 -0.972 . . . . 0.0 109.876 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 26.2 ttt -60.0 149.75 31.13 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.15 -0.969 . . . . 0.0 111.059 -178.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.536 ' CG ' ' O ' ' B' ' 52' ' ' GLY . 19.6 t-80 50.13 -142.57 0.63 Allowed 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.539 -0.726 . . . . 0.0 110.183 179.278 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.506 ' O ' ' CG ' ' B' ' 51' ' ' HIS . . . -179.15 -155.13 14.11 Favored Glycine 0 N--CA 1.491 2.344 0 N-CA-C 109.026 -1.63 . . . . 0.0 109.026 -179.02 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.402 ' O ' ' O ' ' A' ' 54' ' ' VAL . 89.8 mt-30 -89.36 107.67 19.2 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.981 -1.305 . . . . 0.0 109.516 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.55 HG12 ' N ' ' A' ' 55' ' ' ASP . 45.5 t 55.88 166.1 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 O-C-N 121.681 -0.637 . . . . 0.0 109.645 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.55 ' N ' HG12 ' A' ' 54' ' ' VAL . 63.4 t0 . . . . . 0 N--CA 1.491 1.595 0 CA-C-O 118.002 -0.999 . . . . 0.0 109.488 -179.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 . . . . . 0 N--CA 1.495 1.791 0 CA-C-O 121.476 0.655 . . . . 0.0 110.082 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 26.6 mt -70.33 -29.85 66.66 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.204 -0.935 . . . . 0.0 111.192 -178.095 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -62.37 -54.57 38.49 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 120.549 -1.345 . . . . 0.0 111.334 -178.173 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.7 -44.26 71.49 Favored Glycine 0 N--CA 1.493 2.485 0 N-CA-C 109.816 -1.313 . . . . 0.0 109.816 -179.528 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.443 ' O ' ' N ' ' B' ' 9' ' ' GLN . 96.8 mt -58.78 -40.03 78.61 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.384 0 O-C-N 121.382 -1.07 . . . . 0.0 110.274 -179.264 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 57.1 t0 -57.35 -43.73 83.73 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 120.722 -1.236 . . . . 0.0 108.112 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 4.4 ttmp? -68.15 -47.59 67.66 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 118.947 -1.101 . . . . 0.0 109.238 178.563 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.43 -35.27 79.89 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.482 -0.761 . . . . 0.0 109.476 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' B' ' 5' ' ' ILE . 6.9 tt0 -56.98 -39.68 75.09 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.276 -0.89 . . . . 0.0 109.335 -179.327 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -60.58 -40.64 92.44 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 178.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 14.0 tm-20 -59.27 -41.56 89.15 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.182 -0.949 . . . . 0.0 108.756 179.255 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . 0.582 ' O ' ' N ' ' B' ' 16' ' ' HIS . 17.5 t60 -61.56 -47.1 87.05 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.118 -0.989 . . . . 0.0 109.962 179.737 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -59.75 -45.01 93.54 Favored 'General case' 0 C--N 1.293 -1.852 0 O-C-N 121.091 -1.005 . . . . 0.0 110.627 -178.517 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 52.4 mtpt -60.96 -33.26 72.92 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.484 -0.76 . . . . 0.0 112.988 -178.49 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -136.37 -5.32 2.05 Favored 'General case' 0 N--CA 1.506 2.354 0 O-C-N 120.781 -1.199 . . . . 0.0 112.416 -176.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.582 ' N ' ' O ' ' B' ' 12' ' ' HIS . 93.1 m-70 54.88 40.71 32.11 Favored 'General case' 0 N--CA 1.499 2.001 0 N-CA-C 107.33 -1.359 . . . . 0.0 107.33 -177.493 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 90.9 p -59.52 154.04 18.24 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.638 -0.664 . . . . 0.0 110.216 -179.026 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 35.6 m120 -71.53 155.96 39.97 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.488 -0.757 . . . . 0.0 108.983 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 40.1 p-90 -57.25 -29.08 63.51 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.795 -1.191 . . . . 0.0 109.729 -179.642 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 83.6 mtm180 -63.04 -39.96 96.29 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.03 -1.044 . . . . 0.0 110.322 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.93 -47.34 62.79 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.403 -0.811 . . . . 0.0 110.136 -179.621 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 78.0 mtm -60.53 -38.38 84.26 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.24 -0.912 . . . . 0.0 108.953 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.496 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -56.76 -49.74 74.36 Favored 'General case' 0 N--CA 1.49 1.56 0 C-N-CA 119.597 -0.841 . . . . 0.0 109.454 179.444 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 16.8 t -70.03 -33.73 72.36 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.147 -0.97 . . . . 0.0 110.038 179.583 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -59.62 -46.25 89.52 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.985 -1.072 . . . . 0.0 109.922 -179.089 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -109.43 3.37 21.34 Favored 'General case' 0 N--CA 1.503 2.211 0 O-C-N 121.459 -0.776 . . . . 0.0 110.547 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.496 ' N ' ' O ' ' B' ' 23' ' ' ALA . 79.8 m-20 55.42 48.04 19.86 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.013 -1.054 . . . . 0.0 109.687 179.553 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 62.5 mt -111.56 151.4 43.29 Favored Pre-proline 0 N--CA 1.503 2.186 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 179.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_endo -62.0 151.11 83.48 Favored 'Trans proline' 0 C--N 1.314 -1.289 0 C-N-CA 121.008 1.138 . . . . 0.0 111.619 -179.561 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_exo -43.3 -39.09 8.61 Favored 'Trans proline' 0 N--CA 1.493 1.467 0 C-N-CA 122.588 2.192 . . . . 0.0 111.35 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 23.8 t -51.01 -53.8 12.91 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.736 0 O-C-N 121.625 -0.672 . . . . 0.0 110.301 -178.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . 0.407 HG13 HD11 ' B' ' 5' ' ' ILE . 94.1 t -63.79 -46.9 93.17 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.85 0 C-N-CA 118.588 -1.245 . . . . 0.0 110.134 -178.564 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.16 -42.99 83.39 Favored 'General case' 0 C--N 1.299 -1.624 0 C-N-CA 119.494 -0.883 . . . . 0.0 109.873 -179.594 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.42 ' NZ ' ' OE2' ' A' ' 35' ' ' GLU . 10.2 mtpm? -62.7 -35.49 79.88 Favored 'General case' 0 N--CA 1.486 1.363 0 O-C-N 120.851 -1.155 . . . . 0.0 110.325 -179.437 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . 0.516 ' OE2' ' NZ ' ' A' ' 34' ' ' LYS . 15.1 tm-20 -62.39 -36.46 82.38 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 120.834 -1.166 . . . . 0.0 109.757 -179.239 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 82.9 mt -60.49 -39.91 82.68 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.465 0 C-N-CA 119.169 -1.012 . . . . 0.0 108.28 179.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 76.7 t -63.24 -39.36 84.96 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.584 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 178.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . 0.546 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -60.27 -33.05 71.77 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.543 -0.723 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 36.1 m -76.68 -27.72 55.67 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.261 -0.9 . . . . 0.0 109.801 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 51.6 t -82.54 104.76 13.05 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.053 -1.03 . . . . 0.0 109.2 179.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -61.48 -29.32 69.9 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.337 -0.852 . . . . 0.0 110.491 -179.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -70.27 -39.27 75.05 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.109 -0.995 . . . . 0.0 110.524 -178.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 84.0 m -89.71 -16.25 30.79 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.264 -0.898 . . . . 0.0 109.696 179.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . 0.546 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 22.6 tt0 -68.76 -65.06 0.75 Allowed 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.141 -0.975 . . . . 0.0 110.205 -179.405 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 45.8 mt -80.89 109.8 15.81 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 120.585 -1.322 . . . . 0.0 108.412 179.337 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 38.4 tttp -97.76 130.7 44.7 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.359 -0.838 . . . . 0.0 110.453 -178.476 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 66.77 -157.27 50.89 Favored Glycine 0 N--CA 1.492 2.41 0 N-CA-C 109.957 -1.257 . . . . 0.0 109.957 179.43 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -75.9 146.95 39.36 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.405 -1.056 . . . . 0.0 109.66 179.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -97.01 -139.53 0.28 Allowed 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.136 -0.977 . . . . 0.0 110.168 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 23.6 ttt -59.66 149.36 30.75 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.456 -0.777 . . . . 0.0 110.265 -179.357 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' HIS . . . . . 0.506 ' CG ' ' O ' ' A' ' 52' ' ' GLY . 17.9 t-80 50.42 -142.33 0.67 Allowed 'General case' 0 N--CA 1.488 1.464 0 CA-C-O 121.464 0.649 . . . . 0.0 110.691 179.052 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . 0.536 ' O ' ' CG ' ' A' ' 51' ' ' HIS . . . -179.59 -154.47 13.32 Favored Glycine 0 N--CA 1.484 1.86 0 N-CA-C 109.052 -1.619 . . . . 0.0 109.052 -178.679 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -90.0 106.18 18.3 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.427 -1.043 . . . . 0.0 109.333 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.517 HG12 ' N ' ' B' ' 55' ' ' ASP . 41.4 t 56.29 165.62 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.843 0 O-C-N 121.379 -0.826 . . . . 0.0 110.009 179.505 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.517 ' N ' HG12 ' B' ' 54' ' ' VAL . 58.9 t0 . . . . . 0 N--CA 1.495 1.779 0 CA-C-O 117.77 -1.11 . . . . 0.0 109.681 -179.645 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.517 ' O ' HD12 ' A' ' 5' ' ' ILE . 76.2 m-85 . . . . . 0 N--CA 1.49 1.55 0 CA-C-O 121.123 0.487 . . . . 0.0 109.905 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 37.0 mt -72.12 -34.89 68.92 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.313 -0.867 . . . . 0.0 111.854 -178.245 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -62.22 -47.85 82.61 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.728 -1.232 . . . . 0.0 110.85 -178.244 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.06 -43.24 49.16 Favored Glycine 0 N--CA 1.494 2.546 0 N-CA-C 109.168 -1.573 . . . . 0.0 109.168 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.517 HD12 ' O ' ' A' ' 1' ' ' PHE . 80.1 mt -59.49 -39.43 79.22 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.486 0 O-C-N 121.235 -1.156 . . . . 0.0 109.697 179.711 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 51.7 t0 -55.45 -49.31 72.79 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 120.746 -1.221 . . . . 0.0 109.055 -179.604 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 58.1 mttm -68.96 -40.04 79.14 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 120.899 -1.126 . . . . 0.0 109.504 179.183 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.46 -35.58 77.77 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.274 -0.891 . . . . 0.0 109.747 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.458 ' N ' ' O ' ' A' ' 5' ' ' ILE . 53.4 tt0 -59.49 -40.06 85.78 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 108.585 -0.895 . . . . 0.0 108.585 -179.631 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 74.5 tt0 -61.08 -41.95 97.59 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.019 -1.051 . . . . 0.0 108.64 178.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.6 tm-20 -60.73 -40.25 91.67 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.544 -0.722 . . . . 0.0 109.085 179.49 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.545 ' O ' ' N ' ' A' ' 16' ' ' HIS . 14.7 t60 -60.79 -46.12 91.73 Favored 'General case' 0 C--N 1.304 -1.398 0 C-N-CA 119.575 -0.85 . . . . 0.0 109.688 179.611 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -60.24 -44.35 95.32 Favored 'General case' 0 C--N 1.297 -1.704 0 O-C-N 121.39 -0.819 . . . . 0.0 109.985 -179.619 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 50.5 mtmt -61.88 -31.44 71.72 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.467 -0.77 . . . . 0.0 112.963 -178.287 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 65.1 m-85 -138.18 -7.42 1.57 Allowed 'General case' 0 N--CA 1.506 2.349 0 O-C-N 120.755 -1.216 . . . . 0.0 112.541 -176.622 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.545 ' N ' ' O ' ' A' ' 12' ' ' HIS . 87.5 m-70 54.62 40.67 32.02 Favored 'General case' 0 N--CA 1.497 1.888 0 N-CA-C 107.235 -1.395 . . . . 0.0 107.235 -177.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 89.7 p -64.05 156.85 26.88 Favored 'General case' 0 N--CA 1.488 1.427 0 CA-C-O 121.45 0.643 . . . . 0.0 111.033 -178.118 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -71.05 157.92 37.38 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.473 -0.767 . . . . 0.0 109.099 179.289 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 54.0 p-90 -57.1 -29.66 63.69 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.245 -0.91 . . . . 0.0 110.318 -179.57 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 75.6 mtm180 -63.15 -40.51 97.78 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.86 -1.15 . . . . 0.0 109.885 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.34 -49.04 65.72 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.198 -0.939 . . . . 0.0 109.441 -179.427 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 79.4 mtm -61.19 -40.47 94.05 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.145 -0.972 . . . . 0.0 109.41 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.475 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -57.66 -45.99 84.8 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 119.394 -0.923 . . . . 0.0 109.26 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 20.4 m -69.94 -38.52 76.19 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.388 -0.82 . . . . 0.0 110.428 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -60.18 -40.38 89.78 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.097 -1.002 . . . . 0.0 110.607 -178.563 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -111.36 3.15 18.02 Favored 'General case' 0 N--CA 1.503 2.212 0 O-C-N 121.206 -0.934 . . . . 0.0 110.023 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.475 ' N ' ' O ' ' A' ' 23' ' ' ALA . 82.2 m-20 55.79 42.6 28.91 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.362 -0.836 . . . . 0.0 110.279 179.699 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 69.8 mt -106.74 149.9 39.02 Favored Pre-proline 0 N--CA 1.498 1.974 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 179.257 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_endo -60.83 153.68 61.21 Favored 'Trans proline' 0 N--CA 1.493 1.482 0 C-N-CA 121.842 1.694 . . . . 0.0 112.082 -179.285 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_exo -43.11 -41.46 9.46 Favored 'Trans proline' 0 C--N 1.312 -1.382 0 C-N-CA 122.489 2.126 . . . . 0.0 112.767 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.8 t -52.6 -50.11 42.01 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.809 0 O-C-N 121.191 -0.943 . . . . 0.0 110.385 -177.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 57.9 t -65.77 -48.29 82.77 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.932 0 C-N-CA 118.716 -1.194 . . . . 0.0 109.184 -178.571 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.59 -46.76 78.15 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.282 -0.886 . . . . 0.0 109.929 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 88.2 mttt -61.52 -36.12 79.66 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 120.976 -1.078 . . . . 0.0 110.505 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.4 tm-20 -60.72 -39.92 90.4 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 120.857 -1.152 . . . . 0.0 109.979 -179.25 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 73.0 mt -59.63 -40.14 81.41 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 O-C-N 121.141 -0.975 . . . . 0.0 108.829 179.725 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 89.7 t -63.09 -40.03 87.5 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.4 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 179.394 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.15 -30.77 70.59 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.48 -0.762 . . . . 0.0 109.626 179.607 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.4 m -77.57 -27.08 51.34 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.037 -1.039 . . . . 0.0 109.206 -179.699 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 42.6 t -80.92 104.17 11.24 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.162 -0.961 . . . . 0.0 109.761 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -60.02 -30.88 69.45 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.576 -0.702 . . . . 0.0 110.048 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 42.6 mtpt -71.19 -40.19 71.37 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.05 -1.031 . . . . 0.0 111.081 -178.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.412 ' O ' ' NZ ' ' A' ' 46' ' ' LYS . 69.4 m -84.75 -19.16 33.08 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 120.687 -1.258 . . . . 0.0 110.161 -179.473 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -75.86 -74.78 0.2 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.093 -1.004 . . . . 0.0 109.341 -179.725 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 30.7 mt -80.89 99.47 8.36 Favored 'General case' 0 N--CA 1.493 1.704 0 N-CA-C 107.972 -1.122 . . . . 0.0 107.972 179.23 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.412 ' NZ ' ' O ' ' A' ' 43' ' ' CYS . 58.8 mttp -91.9 -8.13 47.26 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.18 -0.95 . . . . 0.0 110.627 -178.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 152.27 -150.43 22.27 Favored Glycine 0 N--CA 1.496 2.688 0 N-CA-C 109.124 -1.59 . . . . 0.0 109.124 -179.628 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 55.96 32.79 20.5 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.327 -1.102 . . . . 0.0 108.671 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.519 ' O ' ' O ' ' B' ' 49' ' ' ALA . . . -84.32 30.08 0.55 Allowed 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.651 -0.656 . . . . 0.0 109.25 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 58.8 mtt 47.84 25.25 0.7 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.092 -1.005 . . . . 0.0 109.614 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 44.1 t-80 -101.61 128.19 47.99 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.287 -0.883 . . . . 0.0 109.54 -179.601 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -164.34 -169.59 28.1 Favored Glycine 0 N--CA 1.493 2.443 0 N-CA-C 109.49 -1.444 . . . . 0.0 109.49 -179.7 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.508 ' O ' HG12 ' A' ' 54' ' ' VAL . 61.1 tt0 -86.52 136.53 33.04 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.146 -1.208 . . . . 0.0 108.987 179.589 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.864 HG22 ' H ' ' A' ' 55' ' ' ASP . 12.7 p 46.15 -177.0 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.749 0 CA-C-O 121.457 0.646 . . . . 0.0 109.729 -179.518 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.864 ' H ' HG22 ' A' ' 54' ' ' VAL . 57.0 t0 . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 117.883 -1.056 . . . . 0.0 109.352 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . 0.512 ' O ' HD12 ' B' ' 5' ' ' ILE . 75.0 m-85 . . . . . 0 N--CA 1.487 1.423 0 CA-C-O 121.305 0.574 . . . . 0.0 109.94 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 33.9 mt -72.44 -33.37 67.02 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.299 -0.876 . . . . 0.0 111.783 -178.544 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -63.46 -48.0 79.49 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 120.713 -1.242 . . . . 0.0 110.494 -178.295 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.7 -43.34 51.9 Favored Glycine 0 N--CA 1.492 2.412 0 N-CA-C 109.307 -1.517 . . . . 0.0 109.307 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.512 HD12 ' O ' ' B' ' 1' ' ' PHE . 78.1 mt -59.6 -39.38 79.33 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.461 0 O-C-N 121.661 -0.905 . . . . 0.0 109.624 179.728 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -55.69 -48.25 75.43 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 120.854 -1.154 . . . . 0.0 109.063 -179.405 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 59.1 mttm -69.65 -40.91 76.22 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 120.944 -1.097 . . . . 0.0 109.51 179.248 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.18 -35.04 77.4 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.359 -0.838 . . . . 0.0 109.929 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' B' ' 5' ' ' ILE . 53.1 tt0 -59.48 -39.81 84.93 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.021 -1.049 . . . . 0.0 108.771 -179.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 74.6 tt0 -61.14 -41.98 97.72 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.267 -0.896 . . . . 0.0 108.616 178.687 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 12.5 tm-20 -60.51 -40.41 91.32 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.503 -0.748 . . . . 0.0 109.093 179.663 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . 0.526 ' O ' ' N ' ' B' ' 16' ' ' HIS . 15.6 t60 -60.73 -45.7 93.26 Favored 'General case' 0 C--N 1.305 -1.366 0 C-N-CA 119.516 -0.874 . . . . 0.0 109.834 179.482 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -60.44 -44.61 95.65 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.202 -0.936 . . . . 0.0 109.901 -179.625 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 50.7 mtmt -61.23 -32.45 72.24 Favored 'General case' 0 N--CA 1.495 1.786 0 N-CA-C 113.157 0.799 . . . . 0.0 113.157 -178.456 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 63.3 m-85 -137.12 -7.16 1.81 Allowed 'General case' 0 N--CA 1.507 2.417 0 O-C-N 120.741 -1.224 . . . . 0.0 112.466 -176.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.526 ' N ' ' O ' ' B' ' 12' ' ' HIS . 85.7 m-70 54.46 39.83 31.34 Favored 'General case' 0 N--CA 1.495 1.795 0 N-CA-C 107.087 -1.449 . . . . 0.0 107.087 -177.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 88.3 p -62.95 156.91 23.1 Favored 'General case' 0 N--CA 1.488 1.447 0 CA-C-O 121.523 0.678 . . . . 0.0 111.249 -178.342 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -70.84 158.25 36.71 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 179.281 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 54.7 p-90 -57.44 -30.19 64.81 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.197 -0.939 . . . . 0.0 110.171 -179.47 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 75.7 mtm180 -62.92 -40.26 97.07 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.821 -1.174 . . . . 0.0 109.94 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.01 -49.07 66.45 Favored 'General case' 0 C--N 1.299 -1.587 0 O-C-N 121.172 -0.955 . . . . 0.0 109.412 -179.426 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 79.0 mtm -61.54 -40.12 93.53 Favored 'General case' 0 C--N 1.298 -1.66 0 O-C-N 121.099 -1.001 . . . . 0.0 109.817 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.468 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -58.13 -45.29 87.6 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.203 -0.936 . . . . 0.0 109.512 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 25.3 m -70.01 -38.77 76.03 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.251 -0.906 . . . . 0.0 110.634 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -60.06 -40.57 89.95 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.312 -0.868 . . . . 0.0 110.533 -178.334 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -111.14 1.64 17.41 Favored 'General case' 0 N--CA 1.502 2.127 0 O-C-N 121.383 -0.823 . . . . 0.0 110.135 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.468 ' N ' ' O ' ' B' ' 23' ' ' ALA . 81.1 m-20 56.75 42.94 26.02 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.633 -0.667 . . . . 0.0 110.27 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 73.4 mt -106.52 149.52 38.44 Favored Pre-proline 0 N--CA 1.496 1.869 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 179.31 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_endo -61.23 154.05 60.74 Favored 'Trans proline' 0 N--CA 1.494 1.542 0 C-N-CA 121.829 1.686 . . . . 0.0 111.975 -179.087 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -43.33 -40.7 9.87 Favored 'Trans proline' 0 C--N 1.314 -1.274 0 C-N-CA 122.515 2.144 . . . . 0.0 112.625 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 57.3 t -53.67 -50.25 51.89 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.749 0 C-N-CA 119.511 -0.876 . . . . 0.0 110.523 -177.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 59.2 t -65.59 -47.44 86.34 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.945 0 C-N-CA 118.617 -1.233 . . . . 0.0 109.36 -178.712 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.83 -47.74 74.0 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.27 -0.894 . . . . 0.0 109.974 179.719 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -61.01 -35.48 76.97 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 121.202 -0.936 . . . . 0.0 110.526 -179.548 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.9 tm-20 -60.73 -39.86 90.23 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.858 -1.151 . . . . 0.0 109.996 -179.394 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 74.5 mt -60.3 -39.69 81.6 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.297 0 O-C-N 120.991 -1.068 . . . . 0.0 108.849 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 89.3 t -63.23 -40.15 87.95 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.514 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 179.43 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . 0.436 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -61.33 -30.76 70.71 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.612 -0.68 . . . . 0.0 109.731 179.348 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 15.3 m -77.42 -26.19 51.44 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.208 -0.933 . . . . 0.0 109.11 -179.607 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 43.6 t -81.77 104.46 12.17 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 119.942 -0.703 . . . . 0.0 109.776 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -60.37 -31.64 70.53 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.448 -0.782 . . . . 0.0 110.147 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 42.7 mtpt -70.26 -40.02 74.63 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.016 -1.053 . . . . 0.0 111.209 -178.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 67.5 m -85.2 -19.35 31.82 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 120.681 -1.262 . . . . 0.0 110.353 -179.262 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . 0.436 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 12.3 tt0 -75.99 -74.59 0.22 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.145 -0.972 . . . . 0.0 109.113 -179.821 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 26.1 mt -80.57 99.68 8.22 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.894 -1.129 . . . . 0.0 108.054 179.313 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 58.4 mttp -92.89 -7.03 47.32 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.32 -0.863 . . . . 0.0 110.351 -178.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 151.52 -151.1 23.09 Favored Glycine 0 N--CA 1.496 2.653 0 N-CA-C 109.368 -1.493 . . . . 0.0 109.368 -179.318 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 79.6 mt-10 55.42 33.86 21.77 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.289 -1.124 . . . . 0.0 108.595 -179.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . 0.519 ' O ' ' O ' ' A' ' 49' ' ' ALA . . . -85.55 30.12 0.65 Allowed 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.669 -0.645 . . . . 0.0 109.273 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 59.0 mtt 47.7 26.73 0.92 Allowed 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.061 -1.024 . . . . 0.0 109.833 179.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 45.0 t-80 -102.8 131.04 49.95 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.424 -0.798 . . . . 0.0 109.426 -179.675 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -166.93 -167.09 27.09 Favored Glycine 0 N--CA 1.489 2.198 0 N-CA-C 109.538 -1.425 . . . . 0.0 109.538 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . 0.493 ' O ' HG12 ' B' ' 54' ' ' VAL . 63.9 tt0 -88.92 137.04 32.68 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.329 -1.101 . . . . 0.0 108.726 179.704 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.89 HG22 ' H ' ' B' ' 55' ' ' ASP . 13.6 p 45.86 -176.16 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 CA-C-O 121.439 0.638 . . . . 0.0 109.714 -179.568 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.89 ' H ' HG22 ' B' ' 54' ' ' VAL . 56.4 t0 . . . . . 0 N--CA 1.493 1.72 0 O-C-N 120.898 -1.126 . . . . 0.0 109.51 -179.503 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.532 ' CE2' ' CE2' ' B' ' 1' ' ' PHE . 62.7 m-85 . . . . . 0 N--CA 1.493 1.677 0 CA-C-O 121.578 0.704 . . . . 0.0 109.631 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 43.2 mt -72.52 -41.4 65.92 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.496 -0.753 . . . . 0.0 110.865 -178.464 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 60.8 t0 -63.83 -53.55 48.9 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 120.897 -1.127 . . . . 0.0 110.895 -179.067 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.18 -45.05 96.74 Favored Glycine 0 N--CA 1.495 2.576 0 N-CA-C 110.396 -1.081 . . . . 0.0 110.396 -179.288 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.419 HD11 HG11 ' B' ' 31' ' ' VAL . 68.9 mt -59.57 -39.02 78.32 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.31 -1.112 . . . . 0.0 110.524 -179.607 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -55.46 -45.32 76.91 Favored 'General case' 0 C--N 1.302 -1.485 0 C-N-CA 118.876 -1.13 . . . . 0.0 109.422 -179.129 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -69.93 -43.43 71.67 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.149 -0.97 . . . . 0.0 109.112 179.452 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.32 -34.97 79.19 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 119.584 -0.847 . . . . 0.0 109.681 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -58.44 -41.4 85.0 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 120.98 -1.075 . . . . 0.0 109.628 -179.037 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -62.12 -41.21 98.01 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.838 -1.164 . . . . 0.0 108.693 179.027 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -60.0 -40.69 90.05 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 179.031 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.552 ' O ' ' N ' ' A' ' 16' ' ' HIS . 13.5 t60 -61.76 -47.5 84.9 Favored 'General case' 0 C--N 1.306 -1.304 0 CA-C-O 121.572 0.701 . . . . 0.0 110.117 179.648 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.2 tp10 -60.72 -41.56 95.55 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 120.922 -1.111 . . . . 0.0 109.861 -179.116 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -60.88 -31.92 71.38 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.498 -0.751 . . . . 0.0 112.367 -178.547 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -140.07 -4.93 1.31 Allowed 'General case' 0 N--CA 1.508 2.432 0 O-C-N 120.722 -1.236 . . . . 0.0 112.788 -177.089 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.552 ' N ' ' O ' ' A' ' 12' ' ' HIS . 90.0 m-70 54.04 42.33 31.66 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 120.191 -1.568 . . . . 0.0 107.309 -177.605 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 93.9 p -63.92 156.89 26.33 Favored 'General case' 0 C--N 1.303 -1.442 0 CA-C-O 121.553 0.692 . . . . 0.0 110.709 -178.494 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -73.05 156.22 38.98 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.371 -0.831 . . . . 0.0 109.288 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 36.1 p-90 -54.46 -30.56 53.28 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.093 -1.004 . . . . 0.0 110.242 -179.247 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 59.5 mtp180 -61.05 -40.25 92.92 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.902 -1.124 . . . . 0.0 109.529 -179.695 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.85 -50.02 53.45 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.406 -0.809 . . . . 0.0 109.695 -179.732 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 78.6 mtm -60.79 -39.72 89.96 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.216 -0.927 . . . . 0.0 109.662 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.523 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -60.4 -47.34 86.49 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.147 -0.97 . . . . 0.0 109.149 179.583 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 62.8 m -69.38 -36.0 76.37 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.363 -0.836 . . . . 0.0 110.14 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -61.38 -41.53 97.24 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.135 -0.978 . . . . 0.0 109.902 -179.41 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.47 ' O ' ' OD1' ' A' ' 27' ' ' ASN . 96.7 m-85 -110.25 5.67 21.94 Favored 'General case' 0 N--CA 1.502 2.169 0 O-C-N 121.432 -0.793 . . . . 0.0 110.044 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.562 ' ND2' ' O ' ' A' ' 27' ' ' ASN . 1.9 p-10 49.63 42.84 23.82 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.574 -0.704 . . . . 0.0 110.843 179.719 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.407 HD13 HG11 ' A' ' 32' ' ' VAL . 79.5 mt -106.83 146.38 32.99 Favored Pre-proline 0 N--CA 1.503 2.193 0 O-C-N 120.912 -1.117 . . . . 0.0 109.205 179.492 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_exo -47.42 144.98 9.17 Favored 'Trans proline' 0 N--CA 1.493 1.444 0 C-N-CA 121.416 1.411 . . . . 0.0 111.08 178.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_exo -43.45 -33.83 4.54 Favored 'Trans proline' 0 C--N 1.315 -1.209 0 C-N-CA 121.865 1.71 . . . . 0.0 111.575 179.53 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.551 HG11 HD11 ' B' ' 5' ' ' ILE . 53.1 t -51.2 -51.83 21.2 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.615 0 O-C-N 121.764 -0.585 . . . . 0.0 110.628 -178.279 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.407 HG11 HD13 ' A' ' 28' ' ' LEU . 93.1 t -64.5 -49.25 81.51 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.801 0 C-N-CA 118.939 -1.104 . . . . 0.0 109.315 -178.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.86 -45.8 87.81 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.571 -0.706 . . . . 0.0 109.717 179.718 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.3 mtpm? -61.24 -36.21 79.35 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.066 -1.021 . . . . 0.0 109.882 179.579 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -62.09 -38.61 89.51 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.111 -0.993 . . . . 0.0 110.392 -179.446 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 66.3 mt -60.44 -39.24 80.49 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 120.817 -1.177 . . . . 0.0 108.666 -179.649 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 71.7 t -61.74 -39.09 82.06 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.546 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 178.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.55 -33.42 72.64 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 179.087 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 21.8 m -76.03 -29.82 58.22 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.319 -0.863 . . . . 0.0 109.749 -179.652 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 43.1 t -82.33 101.66 10.72 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.339 -0.85 . . . . 0.0 109.548 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -60.93 -29.97 69.93 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.427 -0.796 . . . . 0.0 110.151 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -69.19 -41.15 77.54 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.075 -1.015 . . . . 0.0 110.348 -178.752 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 57.8 m -82.27 -30.0 30.91 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.937 -1.102 . . . . 0.0 109.574 179.569 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 39.4 tt0 -73.79 -70.07 0.4 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.092 -1.005 . . . . 0.0 108.917 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 62.3 mt -80.97 110.41 16.48 Favored 'General case' 0 N--CA 1.485 1.321 0 O-C-N 121.105 -0.997 . . . . 0.0 108.443 178.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 31.1 ttmt -89.95 -2.26 58.13 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.543 -0.723 . . . . 0.0 109.184 -179.556 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.452 ' C ' ' H ' ' A' ' 49' ' ' ALA . . . 88.4 -123.53 6.79 Favored Glycine 0 N--CA 1.497 2.728 0 N-CA-C 109.829 -1.308 . . . . 0.0 109.829 179.495 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 55.31 4.02 0.08 Allowed 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.39 -1.064 . . . . 0.0 110.558 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.452 ' H ' ' C ' ' A' ' 47' ' ' GLY . . . -85.4 124.52 32.1 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.031 -1.043 . . . . 0.0 109.263 179.811 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 22.2 ttt -173.51 139.12 0.72 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.511 -0.743 . . . . 0.0 109.138 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 54.8 t-80 -95.92 115.17 27.02 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.175 -0.953 . . . . 0.0 109.752 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -88.78 -164.66 40.54 Favored Glycine 0 N--CA 1.494 2.525 0 N-CA-C 109.342 -1.503 . . . . 0.0 109.342 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 27.2 mm100 56.54 39.97 29.67 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.382 -1.069 . . . . 0.0 110.195 179.686 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 31.1 m 41.84 -154.69 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.965 0 O-C-N 121.51 -0.744 . . . . 0.0 110.599 179.686 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 41.8 p-10 . . . . . 0 N--CA 1.496 1.837 0 CA-C-O 118.08 -0.962 . . . . 0.0 109.271 179.757 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . 0.532 ' CE2' ' CE2' ' A' ' 1' ' ' PHE . 65.2 m-85 . . . . . 0 N--CA 1.492 1.625 0 CA-C-O 121.572 0.701 . . . . 0.0 109.61 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 42.1 mt -73.41 -40.48 64.24 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.617 -0.677 . . . . 0.0 111.193 -178.149 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 62.6 t0 -64.35 -53.4 49.25 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.964 -1.085 . . . . 0.0 110.563 -179.071 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.28 -45.05 96.82 Favored Glycine 0 N--CA 1.493 2.436 0 N-CA-C 110.303 -1.119 . . . . 0.0 110.303 -179.219 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.551 HD11 HG11 ' A' ' 31' ' ' VAL . 72.8 mt -59.91 -38.3 75.79 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 121.297 -1.119 . . . . 0.0 110.402 -179.398 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -56.2 -44.95 79.97 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 120.743 -1.223 . . . . 0.0 109.332 -179.045 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -70.47 -42.96 70.73 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 120.956 -1.09 . . . . 0.0 109.253 179.415 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.8 -35.44 80.08 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.285 -0.884 . . . . 0.0 109.45 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -57.91 -41.13 81.98 Favored 'General case' 0 C--N 1.303 -1.45 0 C-N-CA 119.221 -0.992 . . . . 0.0 109.565 -179.193 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -62.87 -40.94 99.03 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.954 -1.091 . . . . 0.0 108.944 179.088 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -60.43 -39.98 89.44 Favored 'General case' 0 N--CA 1.49 1.553 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 178.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . 0.533 ' O ' ' N ' ' B' ' 16' ' ' HIS . 13.7 t60 -61.85 -48.07 82.21 Favored 'General case' 0 C--N 1.306 -1.285 0 O-C-N 121.451 -0.78 . . . . 0.0 110.113 179.633 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 35.0 tp10 -59.75 -41.73 91.62 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 120.973 -1.079 . . . . 0.0 110.209 -179.154 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 55.1 mtpt -60.8 -33.09 72.47 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.534 -0.729 . . . . 0.0 112.5 -178.432 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -138.9 -4.49 1.55 Allowed 'General case' 0 N--CA 1.508 2.44 0 O-C-N 120.708 -1.245 . . . . 0.0 112.63 -176.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.533 ' N ' ' O ' ' B' ' 12' ' ' HIS . 90.7 m-70 53.77 42.13 31.87 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.436 -1.415 . . . . 0.0 107.316 -177.298 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 91.8 p -63.25 156.45 25.46 Favored 'General case' 0 C--N 1.305 -1.356 0 CA-C-O 121.428 0.632 . . . . 0.0 110.56 -178.486 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -73.08 156.45 38.71 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.445 -0.784 . . . . 0.0 109.489 179.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 36.5 p-90 -54.33 -30.11 50.27 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.25 -0.906 . . . . 0.0 110.258 -179.407 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 59.4 mtp180 -61.3 -40.71 95.18 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.026 -1.046 . . . . 0.0 109.491 -179.65 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.71 -50.03 54.1 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.455 -0.778 . . . . 0.0 109.709 -179.464 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 78.8 mtm -60.81 -40.11 91.49 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.197 -0.939 . . . . 0.0 109.571 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.504 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -59.91 -47.09 87.18 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.062 -1.024 . . . . 0.0 109.117 179.749 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 54.9 m -70.16 -36.48 74.73 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.366 -0.834 . . . . 0.0 110.282 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -60.67 -40.39 91.95 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.253 -0.904 . . . . 0.0 109.905 -179.046 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . 0.461 ' O ' ' OD1' ' B' ' 27' ' ' ASN . 96.7 m-85 -111.42 5.96 19.98 Favored 'General case' 0 N--CA 1.502 2.136 0 O-C-N 121.48 -0.763 . . . . 0.0 110.109 179.789 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.589 ' O ' ' ND2' ' B' ' 27' ' ' ASN . 1.6 p-10 50.35 41.83 25.17 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.347 -0.846 . . . . 0.0 111.088 179.461 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 83.4 mt -106.47 147.79 35.58 Favored Pre-proline 0 N--CA 1.506 2.366 0 O-C-N 120.725 -1.234 . . . . 0.0 109.287 179.234 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -48.29 146.48 9.86 Favored 'Trans proline' 0 N--CA 1.491 1.341 0 C-N-CA 121.259 1.306 . . . . 0.0 111.184 178.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_exo -44.22 -34.24 6.76 Favored 'Trans proline' 0 C--N 1.31 -1.452 0 C-N-CA 121.884 1.722 . . . . 0.0 111.626 179.208 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.419 HG11 HD11 ' A' ' 5' ' ' ILE . 47.5 t -51.53 -51.36 25.96 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.624 -0.673 . . . . 0.0 110.701 -178.462 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 98.0 t -64.59 -49.09 82.07 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.736 0 C-N-CA 118.624 -1.23 . . . . 0.0 109.383 -179.057 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.37 -45.72 86.53 Favored 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 119.881 -0.728 . . . . 0.0 109.837 179.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 10.1 mtpm? -61.32 -36.69 80.83 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.862 -1.149 . . . . 0.0 109.708 179.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.3 tm-20 -61.12 -39.16 88.96 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.159 -0.963 . . . . 0.0 110.228 -179.617 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 67.3 mt -59.69 -40.47 82.4 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 120.912 -1.117 . . . . 0.0 108.718 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 69.0 t -60.45 -39.33 80.8 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.417 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 178.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . 0.538 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -61.26 -30.71 70.62 Favored 'General case' 0 N--CA 1.488 1.447 0 CA-C-O 121.705 0.764 . . . . 0.0 109.381 179.077 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 31.7 m -78.71 -29.67 45.54 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.212 -0.93 . . . . 0.0 109.594 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 41.0 t -83.03 101.65 11.25 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.24 -0.912 . . . . 0.0 109.249 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -60.77 -30.27 69.92 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.446 -0.784 . . . . 0.0 110.067 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 87.6 mttt -68.24 -41.41 81.23 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.084 -1.01 . . . . 0.0 110.234 -178.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 58.5 m -82.38 -29.72 30.71 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.939 -1.101 . . . . 0.0 109.63 179.531 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . 0.538 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 11.6 tt0 -73.86 -69.91 0.41 Allowed 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.191 -0.943 . . . . 0.0 108.817 -179.705 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 65.8 mt -81.52 110.05 16.55 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.094 -1.004 . . . . 0.0 108.651 179.091 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 30.1 ttmt -89.13 -3.64 58.57 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.459 -0.775 . . . . 0.0 109.234 -179.646 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . 0.471 ' C ' ' H ' ' B' ' 49' ' ' ALA . . . 88.86 -121.86 6.18 Favored Glycine 0 N--CA 1.497 2.745 0 N-CA-C 110.354 -1.099 . . . . 0.0 110.354 179.539 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 91.5 mt-10 54.19 3.93 0.05 Allowed 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.529 -0.983 . . . . 0.0 110.426 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . 0.471 ' H ' ' C ' ' B' ' 47' ' ' GLY . . . -84.42 124.66 31.57 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.047 -1.033 . . . . 0.0 109.453 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 22.8 ttt -173.62 138.73 0.68 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.339 -0.851 . . . . 0.0 109.224 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 56.4 t-80 -95.09 114.59 26.41 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.191 -0.943 . . . . 0.0 109.613 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -88.78 -163.79 39.72 Favored Glycine 0 N--CA 1.494 2.503 0 N-CA-C 109.35 -1.5 . . . . 0.0 109.35 179.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 27.2 mm100 55.4 40.07 31.29 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.518 -0.99 . . . . 0.0 110.258 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 32.6 m 41.71 -155.73 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.499 2.023 0 O-C-N 121.566 -0.709 . . . . 0.0 110.499 179.559 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 42.2 p-10 . . . . . 0 N--CA 1.494 1.76 0 CA-C-O 118.01 -0.995 . . . . 0.0 109.436 179.907 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 . . . . . 0 N--CA 1.49 1.559 0 CA-C-O 121.532 0.682 . . . . 0.0 109.407 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 23.1 mt -73.69 -40.07 63.9 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.349 -0.845 . . . . 0.0 111.369 -178.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -63.95 -46.16 85.93 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 120.857 -1.152 . . . . 0.0 110.949 -178.266 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.16 -47.57 52.21 Favored Glycine 0 N--CA 1.491 2.366 0 N-CA-C 109.478 -1.449 . . . . 0.0 109.478 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.601 HD11 HG11 ' B' ' 31' ' ' VAL . 91.2 mt -59.36 -39.21 78.45 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.34 -1.094 . . . . 0.0 110.223 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -53.15 -49.46 66.56 Favored 'General case' 0 N--CA 1.485 1.318 0 O-C-N 120.866 -1.146 . . . . 0.0 109.119 -178.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -69.13 -39.83 78.62 Favored 'General case' 0 N--CA 1.493 1.682 0 C-N-CA 118.975 -1.09 . . . . 0.0 109.175 178.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.29 -38.95 88.96 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.538 -0.726 . . . . 0.0 109.861 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -58.08 -40.43 81.07 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.347 -0.846 . . . . 0.0 109.15 -179.314 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 35.0 tp10 -60.84 -41.84 96.6 Favored 'General case' 0 N--CA 1.485 1.289 0 O-C-N 120.891 -1.131 . . . . 0.0 108.226 179.376 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 20.9 tp10 -61.61 -39.89 92.87 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.242 -0.912 . . . . 0.0 109.033 178.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.526 ' O ' ' N ' ' A' ' 16' ' ' HIS . 13.9 t60 -61.06 -47.27 87.13 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.48 -0.763 . . . . 0.0 109.886 179.482 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 78.0 tt0 -60.45 -41.97 95.18 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.13 -0.981 . . . . 0.0 110.752 -179.187 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -62.49 -30.24 71.12 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.463 -0.773 . . . . 0.0 112.833 -177.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -140.98 -3.64 1.23 Allowed 'General case' 0 N--CA 1.503 2.192 0 O-C-N 120.769 -1.207 . . . . 0.0 112.06 -177.424 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.526 ' N ' ' O ' ' A' ' 12' ' ' HIS . 84.3 m-70 54.2 41.73 31.86 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 107.314 -1.365 . . . . 0.0 107.314 -177.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 91.2 p -62.16 155.38 24.59 Favored 'General case' 0 N--CA 1.488 1.44 0 CA-C-O 121.333 0.587 . . . . 0.0 110.23 -179.123 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 -74.72 162.62 28.54 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.276 -0.89 . . . . 0.0 109.617 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 34.6 p-90 -58.8 -30.44 67.61 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.943 -1.098 . . . . 0.0 110.329 -179.5 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 56.1 mtp180 -62.91 -39.62 95.1 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.11 -0.993 . . . . 0.0 109.765 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.67 -49.16 56.25 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.162 -0.961 . . . . 0.0 109.119 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 78.0 mtm -60.77 -39.95 90.73 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.118 -0.989 . . . . 0.0 109.721 179.524 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.49 -48.56 80.4 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 120.936 -1.103 . . . . 0.0 109.1 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 13.8 m -70.4 -33.92 71.94 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.453 -0.78 . . . . 0.0 110.363 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 52.9 t0 -63.03 -43.4 98.8 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.35 -0.844 . . . . 0.0 110.808 -178.577 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -108.16 -0.25 21.14 Favored 'General case' 0 N--CA 1.503 2.202 0 O-C-N 121.179 -0.951 . . . . 0.0 110.419 -179.551 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 12.4 m120 59.02 49.86 8.97 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.349 -0.845 . . . . 0.0 109.593 179.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 63.7 mt -115.63 152.23 47.02 Favored Pre-proline 0 N--CA 1.504 2.247 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 14.8 Cg_endo -58.49 160.84 15.83 Favored 'Trans proline' 0 C--N 1.316 -1.158 0 C-N-CA 121.163 1.242 . . . . 0.0 110.666 179.028 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_endo -56.1 -33.35 89.76 Favored 'Trans proline' 0 C--N 1.304 -1.798 0 C-N-CA 122.514 2.143 . . . . 0.0 111.864 -179.226 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.548 HG11 HD11 ' B' ' 5' ' ' ILE . 68.1 t -56.91 -48.69 81.02 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.155 -0.966 . . . . 0.0 110.099 -179.118 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.433 HG13 HD11 ' A' ' 5' ' ' ILE . 50.5 t -66.49 -47.95 82.14 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.783 0 C-N-CA 118.379 -1.328 . . . . 0.0 109.306 -178.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.52 -45.18 80.34 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.191 -0.943 . . . . 0.0 109.906 179.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.2 mtpm? -62.11 -36.57 82.15 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.998 -1.064 . . . . 0.0 110.371 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.7 tm-20 -60.83 -39.05 87.61 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.846 -1.159 . . . . 0.0 109.753 -179.097 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 60.0 mt -60.06 -40.23 82.66 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.418 0 O-C-N 121.034 -1.041 . . . . 0.0 109.13 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 75.6 t -62.76 -39.59 85.43 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.37 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 179.157 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.31 -32.9 71.66 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.386 -0.821 . . . . 0.0 109.295 179.19 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.8 m -76.7 -30.83 56.86 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.041 -1.037 . . . . 0.0 109.509 -179.628 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 36.8 t -80.36 103.06 9.98 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.155 -0.966 . . . . 0.0 108.835 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -60.4 -29.51 69.01 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.293 -0.879 . . . . 0.0 109.969 -179.31 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -70.05 -40.08 75.32 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.262 -0.899 . . . . 0.0 110.606 -178.476 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 82.3 m -87.7 -16.41 34.38 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.988 -1.07 . . . . 0.0 109.9 179.732 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 -71.58 -70.54 0.32 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.392 -0.818 . . . . 0.0 109.265 -178.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 50.0 mt -79.65 109.58 14.18 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.122 -0.986 . . . . 0.0 108.511 179.008 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 60.5 tttm -89.88 -72.6 0.55 Allowed 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.749 -1.219 . . . . 0.0 110.136 -179.569 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -137.66 -29.72 0.27 Allowed Glycine 0 N--CA 1.496 2.682 0 N-CA-C 110.015 -1.234 . . . . 0.0 110.015 -179.489 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -63.55 135.4 56.8 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.254 -1.144 . . . . 0.0 108.951 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.542 ' HB1' ' H ' ' B' ' 50' ' ' MET . . . -173.48 176.1 2.88 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.102 -0.999 . . . . 0.0 109.203 179.701 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.494 ' H ' ' HB1' ' B' ' 49' ' ' ALA . 3.0 tpt -73.58 134.95 43.85 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.537 -0.727 . . . . 0.0 109.156 179.689 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 52.1 m80 -141.9 161.34 38.22 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.34 -0.85 . . . . 0.0 109.452 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -164.64 114.12 0.58 Allowed Glycine 0 N--CA 1.49 2.263 0 N-CA-C 108.591 -1.804 . . . . 0.0 108.591 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.541 ' O ' ' NE2' ' A' ' 53' ' ' GLN . 1.3 tm0? -96.9 92.08 5.94 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.185 -1.185 . . . . 0.0 110.021 -179.347 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.602 HG12 ' N ' ' A' ' 55' ' ' ASP . 59.8 t 52.13 169.87 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 121.421 -0.799 . . . . 0.0 110.365 178.816 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.602 ' N ' HG12 ' A' ' 54' ' ' VAL . 62.9 t0 . . . . . 0 N--CA 1.497 1.907 0 O-C-N 120.841 -1.162 . . . . 0.0 109.451 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 . . . . . 0 N--CA 1.492 1.642 0 CA-C-O 121.454 0.645 . . . . 0.0 109.619 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 24.4 mt -72.95 -40.11 65.64 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.27 -0.894 . . . . 0.0 111.373 -178.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -63.69 -45.7 88.86 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.906 -1.122 . . . . 0.0 110.959 -178.43 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.24 -47.59 51.46 Favored Glycine 0 N--CA 1.493 2.498 0 N-CA-C 109.54 -1.424 . . . . 0.0 109.54 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.548 HD11 HG11 ' A' ' 31' ' ' VAL . 90.3 mt -59.72 -38.5 76.19 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.554 0 O-C-N 121.376 -1.073 . . . . 0.0 110.266 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 48.5 t0 -54.4 -49.77 69.15 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 120.847 -1.158 . . . . 0.0 108.896 -178.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -68.54 -40.27 80.76 Favored 'General case' 0 N--CA 1.49 1.542 0 C-N-CA 119.254 -0.978 . . . . 0.0 109.298 178.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.14 -38.13 87.39 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.426 -0.796 . . . . 0.0 109.672 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . 0.408 ' N ' ' O ' ' B' ' 5' ' ' ILE . 57.7 tt0 -58.61 -40.04 82.15 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.102 -0.999 . . . . 0.0 109.198 -179.263 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 34.0 tp10 -60.95 -42.7 98.74 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 120.865 -1.147 . . . . 0.0 108.599 178.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 20.1 tp10 -60.75 -40.35 92.1 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.346 -0.847 . . . . 0.0 108.973 178.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . 0.569 ' O ' ' N ' ' B' ' 16' ' ' HIS . 13.2 t60 -60.59 -47.77 84.75 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.215 -0.928 . . . . 0.0 109.989 179.69 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 77.2 tt0 -60.09 -42.41 94.59 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.19 -0.943 . . . . 0.0 110.682 -179.225 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 56.0 mtpt -61.97 -30.7 71.1 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 121.354 -0.841 . . . . 0.0 112.765 -178.222 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -140.77 -4.15 1.24 Allowed 'General case' 0 N--CA 1.503 2.192 0 O-C-N 120.466 -1.396 . . . . 0.0 111.85 -177.172 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.569 ' N ' ' O ' ' B' ' 12' ' ' HIS . 85.1 m-70 54.8 42.01 31.48 Favored 'General case' 0 N--CA 1.496 1.874 0 N-CA-C 107.426 -1.324 . . . . 0.0 107.426 -177.562 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 99.0 p -62.38 155.97 23.76 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.489 -0.757 . . . . 0.0 110.0 -178.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -75.15 162.63 28.33 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.106 -0.996 . . . . 0.0 109.612 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 34.5 p-90 -58.48 -30.7 67.19 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.024 -1.048 . . . . 0.0 110.083 -179.508 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 56.3 mtp180 -62.59 -40.28 96.4 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.954 -1.091 . . . . 0.0 109.743 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.38 -48.13 62.11 Favored 'General case' 0 C--N 1.298 -1.638 0 C-N-CA 119.502 -0.879 . . . . 0.0 109.286 -179.672 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 78.0 mtm -61.97 -39.94 93.86 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.283 -0.886 . . . . 0.0 109.909 179.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.38 -48.59 80.13 Favored 'General case' 0 C--N 1.3 -1.582 0 C-N-CA 119.345 -0.942 . . . . 0.0 108.696 179.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 14.4 m -70.57 -33.52 71.19 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.379 -0.826 . . . . 0.0 110.438 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 51.1 t0 -63.21 -43.94 96.72 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.961 -1.087 . . . . 0.0 110.679 -178.585 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -107.63 0.58 22.61 Favored 'General case' 0 N--CA 1.502 2.166 0 O-C-N 121.235 -0.915 . . . . 0.0 110.373 -179.539 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 13.6 m120 58.33 49.81 10.47 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.372 -0.83 . . . . 0.0 109.619 179.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 66.3 mt -115.0 151.97 46.09 Favored Pre-proline 0 N--CA 1.503 2.217 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 179.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -58.71 160.54 17.34 Favored 'Trans proline' 0 N--CA 1.489 1.227 0 C-N-CA 121.43 1.42 . . . . 0.0 110.515 179.085 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -55.9 -32.67 86.23 Favored 'Trans proline' 0 C--N 1.307 -1.653 0 C-N-CA 122.538 2.159 . . . . 0.0 112.038 -179.252 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.601 HG11 HD11 ' A' ' 5' ' ' ILE . 72.7 t -57.89 -48.81 83.03 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.643 0 O-C-N 121.257 -0.902 . . . . 0.0 110.184 -179.032 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . 0.405 HG13 HD11 ' B' ' 5' ' ' ILE . 56.4 t -66.43 -47.49 83.71 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.887 0 C-N-CA 118.155 -1.418 . . . . 0.0 109.328 -178.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.55 -44.81 81.36 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.166 -0.958 . . . . 0.0 110.048 179.476 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 10.3 mtpm? -62.64 -36.9 84.3 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.851 -1.156 . . . . 0.0 110.243 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.2 tm-20 -60.12 -39.54 86.62 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.998 -1.064 . . . . 0.0 110.096 -179.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 59.8 mt -59.99 -40.41 83.0 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 120.991 -1.068 . . . . 0.0 108.815 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 76.0 t -62.03 -40.28 86.79 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.501 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 179.069 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . 0.522 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -59.61 -33.27 71.26 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.574 -0.704 . . . . 0.0 109.561 179.438 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 61.5 m -76.43 -30.67 57.48 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.378 -0.826 . . . . 0.0 109.927 -179.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 38.1 t -80.6 102.95 10.12 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.181 -0.949 . . . . 0.0 109.096 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -60.15 -29.69 68.82 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.196 -0.94 . . . . 0.0 110.154 -179.666 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -70.12 -39.87 75.19 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.29 -0.881 . . . . 0.0 110.453 -178.297 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 84.5 m -87.82 -16.06 35.13 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 120.868 -1.145 . . . . 0.0 109.851 179.496 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . 0.522 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 31.3 tt0 -72.16 -71.06 0.3 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.178 -0.951 . . . . 0.0 109.1 -178.808 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 48.1 mt -79.72 109.8 14.47 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.004 -1.06 . . . . 0.0 108.34 179.12 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 59.7 tttm -89.9 -73.24 0.53 Allowed 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.174 -0.953 . . . . 0.0 110.076 -179.482 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -137.31 -30.44 0.26 Allowed Glycine 0 N--CA 1.497 2.714 0 N-CA-C 109.583 -1.407 . . . . 0.0 109.583 -179.263 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -62.74 135.88 57.58 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.176 -1.19 . . . . 0.0 109.035 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . 0.494 ' HB1' ' H ' ' A' ' 50' ' ' MET . . . -173.33 176.61 2.83 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.12 -0.988 . . . . 0.0 109.521 179.705 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . 0.542 ' H ' ' HB1' ' A' ' 49' ' ' ALA . 3.0 tpt -74.5 134.49 42.25 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.199 -0.938 . . . . 0.0 109.05 179.126 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 54.2 m80 -141.84 162.0 36.56 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.222 -0.924 . . . . 0.0 109.46 179.555 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -165.09 114.93 0.62 Allowed Glycine 0 N--CA 1.495 2.582 0 N-CA-C 108.6 -1.8 . . . . 0.0 108.6 179.596 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . 0.537 ' NE2' ' O ' ' B' ' 53' ' ' GLN . 1.3 tm0? -96.99 91.94 5.84 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.029 -1.277 . . . . 0.0 109.917 -178.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.595 HG12 ' N ' ' B' ' 55' ' ' ASP . 66.4 t 52.13 169.27 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.904 0 O-C-N 121.317 -0.865 . . . . 0.0 110.189 179.001 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.595 ' N ' HG12 ' B' ' 54' ' ' VAL . 66.2 t0 . . . . . 0 N--CA 1.496 1.839 0 O-C-N 120.92 -1.112 . . . . 0.0 109.521 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 76.6 m-85 . . . . . 0 N--CA 1.492 1.64 0 CA-C-O 121.268 0.556 . . . . 0.0 109.721 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 29.3 mt -70.98 -43.58 67.75 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.307 -0.87 . . . . 0.0 110.644 -178.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -62.94 -44.9 94.81 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.219 -0.926 . . . . 0.0 110.19 -179.017 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.3 -49.79 54.79 Favored Glycine 0 N--CA 1.495 2.599 0 N-CA-C 109.951 -1.26 . . . . 0.0 109.951 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 93.6 mt -59.46 -39.11 78.34 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.608 0 O-C-N 121.275 -1.132 . . . . 0.0 110.108 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -53.82 -42.11 68.06 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 120.659 -1.276 . . . . 0.0 108.866 -179.434 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 9.6 mtmp? -69.99 -45.34 67.52 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.14 -0.975 . . . . 0.0 109.494 178.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.96 -36.62 82.6 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.529 -0.732 . . . . 0.0 109.613 179.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -56.47 -39.96 74.08 Favored 'General case' 0 C--N 1.302 -1.466 0 C-N-CA 119.228 -0.989 . . . . 0.0 108.899 -179.498 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -62.64 -43.21 99.39 Favored 'General case' 0 C--N 1.304 -1.411 0 C-N-CA 118.941 -1.104 . . . . 0.0 109.27 179.53 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 23.6 tp10 -60.98 -40.3 92.93 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.042 -1.036 . . . . 0.0 108.638 179.362 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.498 ' O ' ' N ' ' A' ' 16' ' ' HIS . 13.2 t60 -61.47 -47.0 87.68 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.21 -0.931 . . . . 0.0 110.301 179.217 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.4 tp10 -59.58 -41.03 89.29 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.0 -1.063 . . . . 0.0 110.283 -178.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt -63.37 -31.82 73.09 Favored 'General case' 0 N--CA 1.497 1.914 0 N-CA-C 113.112 0.782 . . . . 0.0 113.112 -178.564 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -140.11 -2.13 1.5 Allowed 'General case' 0 N--CA 1.51 2.549 0 O-C-N 120.527 -1.358 . . . . 0.0 112.237 -177.171 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.498 ' N ' ' O ' ' A' ' 12' ' ' HIS . 88.3 m-70 53.22 45.12 29.22 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.445 -1.409 . . . . 0.0 107.487 -177.704 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 90.1 p -67.01 153.17 44.32 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.482 -0.761 . . . . 0.0 109.879 -178.615 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -71.78 160.34 32.77 Favored 'General case' 0 C--N 1.304 -1.385 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 179.593 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 41.6 p-90 -57.53 -29.5 64.41 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 121.267 -0.896 . . . . 0.0 110.531 -179.254 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -62.05 -40.94 97.48 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.163 -0.961 . . . . 0.0 109.907 -179.447 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.04 -49.31 62.21 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.471 -0.768 . . . . 0.0 110.0 -179.359 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 78.7 mtm -61.61 -39.94 93.05 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 120.937 -1.102 . . . . 0.0 109.473 179.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.481 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -54.42 -47.86 72.32 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.13 -0.981 . . . . 0.0 108.722 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 8.3 t -70.24 -36.97 74.86 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.359 -0.838 . . . . 0.0 110.391 179.449 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 61.6 t0 -60.72 -41.12 94.66 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.05 -1.031 . . . . 0.0 110.755 -178.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -110.62 0.5 17.58 Favored 'General case' 0 N--CA 1.503 2.18 0 O-C-N 121.33 -0.856 . . . . 0.0 109.611 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.481 ' N ' ' O ' ' A' ' 23' ' ' ALA . 65.4 t30 57.13 48.3 15.64 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.407 -0.808 . . . . 0.0 110.008 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 58.4 mt -114.76 152.88 46.78 Favored Pre-proline 0 N--CA 1.501 2.09 0 O-C-N 121.301 -0.874 . . . . 0.0 109.035 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -60.85 148.77 91.22 Favored 'Trans proline' 0 C--N 1.313 -1.307 0 C-N-CA 121.747 1.631 . . . . 0.0 111.422 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_exo -44.71 -33.59 7.21 Favored 'Trans proline' 0 C--N 1.311 -1.435 0 C-N-CA 121.7 1.6 . . . . 0.0 111.338 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 16.2 t -52.47 -52.2 27.85 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.675 0 O-C-N 121.291 -0.881 . . . . 0.0 110.579 -178.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 58.1 t -67.64 -48.07 77.76 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.713 0 C-N-CA 118.6 -1.24 . . . . 0.0 109.339 -178.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.51 -42.25 95.91 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.281 -0.887 . . . . 0.0 110.037 179.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -62.78 -35.96 81.55 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.704 -1.248 . . . . 0.0 110.55 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.6 tm-20 -60.49 -38.41 84.22 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 120.961 -1.087 . . . . 0.0 109.792 -179.381 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 34.9 mt -60.3 -40.22 83.2 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.414 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 74.5 t -64.75 -40.15 88.1 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.443 0 O-C-N 121.214 -0.929 . . . . 0.0 109.086 179.336 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.67 -30.58 70.83 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.173 -0.954 . . . . 0.0 108.788 179.027 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 55.1 m -78.43 -30.68 47.74 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.502 -0.749 . . . . 0.0 109.949 179.752 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 30.4 t -81.11 104.04 11.33 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 120.963 -1.086 . . . . 0.0 109.198 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -60.11 -30.54 69.34 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.693 -0.629 . . . . 0.0 110.899 -179.236 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 63.6 mttm -71.37 -40.06 70.86 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.229 -0.919 . . . . 0.0 110.698 -178.572 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 68.7 m -84.03 -23.02 31.09 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.96 -1.088 . . . . 0.0 109.615 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 44.6 tt0 -78.57 -71.08 0.45 Allowed 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.281 -0.887 . . . . 0.0 109.493 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 27.2 mt -86.36 87.57 7.46 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.118 -0.988 . . . . 0.0 109.079 179.305 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 54.3 pttt -95.36 -12.47 26.01 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.493 -0.754 . . . . 0.0 109.238 179.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -80.06 171.62 54.44 Favored Glycine 0 N--CA 1.489 2.23 0 N-CA-C 110.049 -1.221 . . . . 0.0 110.049 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -90.94 121.7 33.0 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.455 -1.027 . . . . 0.0 109.008 179.4 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -87.76 158.01 18.89 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.127 -0.983 . . . . 0.0 109.573 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.404 ' HA ' ' H ' ' B' ' 51' ' ' HIS . 81.5 mtp 51.78 74.06 0.28 Allowed 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.411 -0.806 . . . . 0.0 109.774 179.428 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.748 ' H ' ' H ' ' B' ' 51' ' ' HIS . 17.0 t-160 -143.96 -173.91 4.12 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.52 -0.738 . . . . 0.0 110.026 -179.196 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.631 ' H ' ' CD2' ' A' ' 51' ' ' HIS . . . 84.45 50.67 4.17 Favored Glycine 0 N--CA 1.498 2.782 0 N-CA-C 109.928 -1.269 . . . . 0.0 109.928 179.786 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -83.02 136.16 34.6 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.087 -1.243 . . . . 0.0 110.317 -179.175 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.3 t 59.55 156.64 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.651 -0.656 . . . . 0.0 109.462 -179.628 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.423 ' N ' ' OD1' ' A' ' 55' ' ' ASP . 32.8 p-10 . . . . . 0 N--CA 1.491 1.595 0 CA-C-O 118.036 -0.983 . . . . 0.0 109.114 179.578 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 . . . . . 0 N--CA 1.491 1.593 0 CA-C-O 121.198 0.523 . . . . 0.0 109.776 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 30.5 mt -71.44 -43.83 65.95 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.104 -0.998 . . . . 0.0 110.447 -179.174 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -62.59 -44.08 97.21 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.251 -0.906 . . . . 0.0 110.556 -178.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.35 -48.42 51.94 Favored Glycine 0 N--CA 1.496 2.642 0 N-CA-C 109.665 -1.374 . . . . 0.0 109.665 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 95.3 mt -59.84 -38.44 76.22 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.486 0 O-C-N 121.187 -1.184 . . . . 0.0 110.233 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -55.08 -42.24 72.57 Favored 'General case' 0 C--N 1.3 -1.582 0 C-N-CA 118.756 -1.177 . . . . 0.0 109.094 -179.022 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 9.4 mtmp? -69.73 -44.98 69.19 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.27 -0.894 . . . . 0.0 109.484 178.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.55 -35.41 78.99 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.669 -0.645 . . . . 0.0 109.551 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -57.9 -39.87 78.94 Favored 'General case' 0 C--N 1.303 -1.416 0 C-N-CA 119.37 -0.932 . . . . 0.0 108.964 -179.491 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -62.43 -42.01 99.13 Favored 'General case' 0 C--N 1.305 -1.338 0 C-N-CA 118.965 -1.094 . . . . 0.0 109.106 179.29 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 28.1 tp10 -61.69 -41.11 97.14 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.139 -0.976 . . . . 0.0 108.69 179.205 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . 0.481 ' O ' ' N ' ' B' ' 16' ' ' HIS . 13.7 t60 -60.79 -46.64 89.71 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.251 -0.906 . . . . 0.0 110.137 179.369 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 50.4 tp10 -59.55 -41.06 89.24 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.089 -1.007 . . . . 0.0 110.136 -179.09 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -63.58 -31.97 73.3 Favored 'General case' 0 N--CA 1.493 1.694 0 N-CA-C 113.021 0.748 . . . . 0.0 113.021 -178.388 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -139.92 -2.1 1.54 Allowed 'General case' 0 N--CA 1.509 2.492 0 O-C-N 120.452 -1.405 . . . . 0.0 112.255 -177.288 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.481 ' N ' ' O ' ' B' ' 12' ' ' HIS . 85.3 m-70 53.9 42.36 31.73 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.468 -1.395 . . . . 0.0 107.395 -177.83 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 93.3 p -64.75 153.28 40.29 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.548 -0.72 . . . . 0.0 110.045 -178.675 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -71.63 160.11 33.23 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.499 -0.75 . . . . 0.0 109.043 179.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 41.7 p-90 -57.64 -29.51 64.64 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.377 -0.827 . . . . 0.0 110.395 -179.277 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -62.06 -41.52 98.24 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.172 -0.955 . . . . 0.0 109.751 -179.629 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.56 -50.05 60.37 Favored 'General case' 0 C--N 1.298 -1.647 0 O-C-N 121.454 -0.779 . . . . 0.0 109.814 -179.202 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 78.8 mtm -60.95 -39.88 91.18 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.084 -1.01 . . . . 0.0 109.508 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.474 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -54.83 -48.45 72.83 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.058 -1.026 . . . . 0.0 108.775 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 8.1 t -70.23 -35.84 74.12 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.368 -0.833 . . . . 0.0 110.398 179.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -60.47 -42.51 96.4 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.243 -0.911 . . . . 0.0 110.375 -179.166 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -109.94 1.65 19.24 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.507 -0.746 . . . . 0.0 109.818 -179.64 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.474 ' N ' ' O ' ' B' ' 23' ' ' ALA . 66.5 t30 56.87 46.39 19.8 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.431 -0.793 . . . . 0.0 110.179 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 61.4 mt -112.74 153.1 45.18 Favored Pre-proline 0 N--CA 1.503 2.177 0 O-C-N 121.176 -0.953 . . . . 0.0 109.189 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -61.07 149.71 87.79 Favored 'Trans proline' 0 N--CA 1.49 1.309 0 C-N-CA 121.594 1.529 . . . . 0.0 111.504 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -44.98 -34.45 8.91 Favored 'Trans proline' 0 C--N 1.314 -1.246 0 C-N-CA 121.686 1.591 . . . . 0.0 111.628 179.615 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 14.1 t -51.84 -52.09 24.49 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.389 -0.819 . . . . 0.0 110.681 -178.614 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 59.9 t -67.49 -48.68 76.26 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.733 0 C-N-CA 118.861 -1.136 . . . . 0.0 109.461 -178.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.58 -42.4 95.65 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.336 -0.853 . . . . 0.0 110.168 179.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 57.6 mtpt -62.95 -34.28 77.15 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 120.863 -1.148 . . . . 0.0 110.765 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.3 tm-20 -61.14 -39.81 91.47 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.043 -1.035 . . . . 0.0 109.569 -179.514 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 32.5 mt -59.72 -40.55 82.72 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.393 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 -179.318 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 69.6 t -64.53 -40.15 88.07 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.559 0 O-C-N 121.342 -0.849 . . . . 0.0 108.885 179.342 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . 0.467 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -61.99 -30.76 71.16 Favored 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 179.013 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 66.6 m -78.25 -30.76 48.82 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.543 -0.723 . . . . 0.0 109.513 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 36.6 t -80.88 105.41 12.09 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.14 -0.975 . . . . 0.0 109.219 -179.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 -60.52 -31.46 70.53 Favored 'General case' 0 N--CA 1.492 1.664 0 CA-C-O 121.213 0.53 . . . . 0.0 111.007 -179.424 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 63.9 mttm -70.76 -40.26 72.75 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.958 -1.089 . . . . 0.0 111.048 -178.644 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 69.3 m -84.24 -22.85 30.68 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.068 -1.02 . . . . 0.0 109.668 -179.502 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . 0.467 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 6.7 tt0 -79.31 -71.07 0.46 Allowed 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.301 -0.874 . . . . 0.0 109.086 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 38.3 mt -85.41 88.56 7.52 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.978 -1.076 . . . . 0.0 108.948 179.33 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 53.1 pttt -96.37 -14.42 22.52 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.399 -0.813 . . . . 0.0 109.255 179.526 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -78.71 171.01 55.05 Favored Glycine 0 N--CA 1.485 1.965 0 N-CA-C 109.523 -1.431 . . . . 0.0 109.523 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -89.75 126.57 35.72 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.311 -1.111 . . . . 0.0 108.832 179.592 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -92.25 157.84 16.45 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.117 -0.989 . . . . 0.0 109.097 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . 0.492 ' HA ' ' H ' ' A' ' 51' ' ' HIS . 80.1 mtp 51.44 76.3 0.17 Allowed 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.365 -0.834 . . . . 0.0 109.629 179.784 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 51' ' ' HIS . . . . . 0.748 ' H ' ' H ' ' A' ' 51' ' ' HIS . 16.5 t-160 -146.43 -172.15 3.89 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.291 -0.881 . . . . 0.0 109.553 -179.359 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . 0.588 ' H ' ' CD2' ' B' ' 51' ' ' HIS . . . 83.54 48.58 5.23 Favored Glycine 0 N--CA 1.5 2.955 0 O-C-N 120.549 -1.344 . . . . 0.0 110.013 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . 0.413 ' O ' ' O ' ' B' ' 54' ' ' VAL . 15.0 pt20 -80.89 137.05 36.15 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.249 -1.148 . . . . 0.0 110.441 -179.605 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.413 ' O ' ' O ' ' B' ' 53' ' ' GLN . 3.5 t 57.96 158.16 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 O-C-N 121.701 -0.624 . . . . 0.0 109.792 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.435 ' OD1' ' N ' ' B' ' 55' ' ' ASP . 33.7 p-10 . . . . . 0 N--CA 1.49 1.532 0 CA-C-O 117.882 -1.056 . . . . 0.0 108.91 179.481 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 . . . . . 0 N--CA 1.489 1.504 0 CA-C-O 121.444 0.64 . . . . 0.0 109.522 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 51.5 mt -71.13 -41.35 70.62 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.249 -0.907 . . . . 0.0 111.003 -178.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 48.3 t0 -62.47 -48.1 81.11 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.676 -1.265 . . . . 0.0 111.442 -178.54 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.38 -49.2 53.41 Favored Glycine 0 N--CA 1.49 2.251 0 N-CA-C 108.86 -1.696 . . . . 0.0 108.86 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.548 HD11 HG11 ' B' ' 31' ' ' VAL . 75.7 mt -56.12 -39.17 57.24 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.538 0 O-C-N 121.452 -1.028 . . . . 0.0 110.332 179.66 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 85.9 m-20 -55.15 -45.81 75.67 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.596 -1.315 . . . . 0.0 109.747 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 46.5 mtpt -70.66 -44.59 66.76 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.44 -0.788 . . . . 0.0 109.165 179.167 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.37 -34.31 78.01 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 -179.666 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' A' ' 5' ' ' ILE . 60.0 tt0 -58.23 -41.27 83.76 Favored 'General case' 0 C--N 1.305 -1.357 0 C-N-CA 119.787 -0.765 . . . . 0.0 108.946 -179.394 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -62.19 -39.7 93.57 Favored 'General case' 0 C--N 1.301 -1.518 0 C-N-CA 119.019 -1.072 . . . . 0.0 108.301 179.49 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.7 tm-20 -61.26 -40.79 95.4 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 179.504 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.54 ' O ' ' N ' ' A' ' 16' ' ' HIS . 16.3 t60 -63.72 -43.69 95.79 Favored 'General case' 0 C--N 1.302 -1.46 0 C-N-CA 119.26 -0.976 . . . . 0.0 110.136 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 -62.21 -42.54 99.39 Favored 'General case' 0 C--N 1.296 -1.724 0 O-C-N 121.242 -0.912 . . . . 0.0 110.514 -179.038 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 56.8 mtpt -61.59 -34.35 75.47 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.553 -0.717 . . . . 0.0 112.302 -178.446 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 -136.27 -5.21 2.08 Favored 'General case' 0 N--CA 1.507 2.381 0 O-C-N 120.953 -1.092 . . . . 0.0 112.68 -176.718 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.54 ' N ' ' O ' ' A' ' 12' ' ' HIS . 91.1 m-70 54.75 45.53 26.52 Favored 'General case' 0 N--CA 1.493 1.712 0 N-CA-C 106.881 -1.525 . . . . 0.0 106.881 -176.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 91.6 p -67.52 154.28 41.78 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.42 -0.8 . . . . 0.0 109.796 -179.186 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 30.7 m120 -71.81 159.08 34.93 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.409 -0.807 . . . . 0.0 109.279 179.398 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 48.0 p-90 -57.76 -28.99 64.44 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.033 -1.042 . . . . 0.0 110.168 -179.649 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -62.2 -41.3 98.22 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 120.739 -1.225 . . . . 0.0 109.365 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.08 -49.69 64.22 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.208 -0.933 . . . . 0.0 109.619 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 79.4 mtm -61.2 -39.57 90.7 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.542 -0.724 . . . . 0.0 109.835 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.541 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -59.36 -46.57 88.28 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 179.812 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.1 t -69.2 -37.89 78.34 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.23 -0.919 . . . . 0.0 110.06 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 56.8 t0 -60.04 -39.92 87.59 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.297 -0.877 . . . . 0.0 110.388 -178.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -111.26 -0.1 16.55 Favored 'General case' 0 N--CA 1.502 2.157 0 O-C-N 121.302 -0.874 . . . . 0.0 109.645 179.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.541 ' N ' ' O ' ' A' ' 23' ' ' ALA . 52.0 t30 55.58 50.77 13.83 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.484 -0.76 . . . . 0.0 110.396 179.257 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 67.1 mt -117.01 150.11 45.37 Favored Pre-proline 0 N--CA 1.508 2.445 0 O-C-N 121.13 -0.981 . . . . 0.0 110.514 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -44.95 156.8 0.23 Allowed 'Trans proline' 0 N--CA 1.486 1.053 0 C-N-CA 121.439 1.426 . . . . 0.0 110.87 178.167 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.413 ' O ' ' N ' ' A' ' 34' ' ' LYS . 9.9 Cg_endo -56.91 -31.42 89.3 Favored 'Trans proline' 0 C--N 1.306 -1.675 0 C-N-CA 121.658 1.572 . . . . 0.0 111.349 179.182 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.499 HG11 HD11 ' B' ' 5' ' ' ILE . 61.3 t -55.36 -48.47 76.81 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.555 -0.715 . . . . 0.0 110.562 -178.395 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.525 HG13 HD11 ' A' ' 5' ' ' ILE . 69.2 t -66.89 -50.46 64.72 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.879 0 O-C-N 120.871 -1.143 . . . . 0.0 109.921 -179.156 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.82 -40.41 91.81 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 121.117 -0.989 . . . . 0.0 109.587 179.672 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' A' ' 30' ' ' PRO . 13.8 mmmt -62.1 -40.45 95.89 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.366 -0.834 . . . . 0.0 109.494 179.504 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.7 tm-20 -59.65 -40.08 86.5 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.185 -0.947 . . . . 0.0 110.65 -178.499 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 21.7 mt -59.82 -43.78 92.62 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 O-C-N 120.949 -1.095 . . . . 0.0 108.487 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 75.4 t -64.07 -39.95 87.29 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.886 0 C-N-CA 119.312 -0.955 . . . . 0.0 109.004 179.293 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.52 -34.75 73.02 Favored 'General case' 0 C--N 1.297 -1.708 0 CA-C-O 121.512 0.672 . . . . 0.0 110.345 -179.446 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.7 m -78.53 -23.92 45.97 Favored 'General case' 0 C--N 1.295 -1.781 0 O-C-N 121.336 -0.853 . . . . 0.0 110.332 -178.649 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 43.0 t -80.81 100.94 9.06 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.043 -1.036 . . . . 0.0 109.236 -179.551 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 -60.07 -30.2 69.06 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.383 -0.823 . . . . 0.0 110.416 -179.216 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 64.3 mttm -69.07 -30.01 68.25 Favored 'General case' 0 C--N 1.297 -1.684 0 O-C-N 120.845 -1.159 . . . . 0.0 110.724 -178.37 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 25.7 m -91.41 -59.86 2.03 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.073 -1.017 . . . . 0.0 112.656 -178.661 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.428 ' NE2' ' OE1' ' B' ' 44' ' ' GLN . 14.3 tt0 -69.06 -39.1 79.34 Favored 'General case' 0 N--CA 1.503 2.199 0 O-C-N 120.757 -1.215 . . . . 0.0 112.893 -176.467 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 66.2 mt -81.99 12.2 4.37 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 120.355 -1.466 . . . . 0.0 109.746 -178.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -83.56 124.65 30.99 Favored 'General case' 0 C--N 1.293 -1.864 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 178.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 160.43 -162.37 33.29 Favored Glycine 0 N--CA 1.49 2.257 0 N-CA-C 109.327 -1.509 . . . . 0.0 109.327 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -89.09 128.63 35.76 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.179 -1.189 . . . . 0.0 109.812 179.638 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -94.6 -177.76 4.33 Favored 'General case' 0 N--CA 1.498 1.926 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 178.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 63.1 mtt -59.69 -13.99 12.17 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 120.805 -1.184 . . . . 0.0 110.438 -179.17 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 -86.55 129.63 34.79 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.698 -1.251 . . . . 0.0 109.1 179.254 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -177.84 -52.45 0.07 OUTLIER Glycine 0 N--CA 1.487 2.092 0 N-CA-C 108.327 -1.909 . . . . 0.0 108.327 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -75.24 165.45 25.17 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.378 -1.072 . . . . 0.0 108.651 179.306 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.8 t 62.38 159.73 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.504 2.268 0 O-C-N 121.365 -0.834 . . . . 0.0 109.229 -178.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 40.7 t0 . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 117.787 -1.101 . . . . 0.0 109.015 -179.909 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 . . . . . 0 N--CA 1.489 1.502 0 CA-C-O 121.653 0.74 . . . . 0.0 109.364 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 48.2 mt -70.28 -38.72 75.11 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.646 -0.659 . . . . 0.0 111.138 -178.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -64.24 -47.46 79.57 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.011 -1.056 . . . . 0.0 111.295 -178.204 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.28 -46.91 55.25 Favored Glycine 0 N--CA 1.491 2.331 0 N-CA-C 109.307 -1.517 . . . . 0.0 109.307 -179.56 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.528 ' O ' ' N ' ' B' ' 9' ' ' GLN . 68.8 mt -58.14 -39.88 74.9 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.574 -0.957 . . . . 0.0 109.778 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -55.05 -46.08 75.32 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.606 -1.309 . . . . 0.0 109.448 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 44.1 mtpt -69.18 -43.5 74.1 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.068 -1.02 . . . . 0.0 109.074 178.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.69 -34.06 77.01 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.691 -0.631 . . . . 0.0 109.546 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . 0.528 ' N ' ' O ' ' B' ' 5' ' ' ILE . 58.5 tt0 -57.86 -42.06 83.71 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.347 -0.846 . . . . 0.0 109.155 -179.599 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -61.36 -41.92 97.85 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 121.215 -0.928 . . . . 0.0 108.758 179.167 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 10.1 tm-20 -60.02 -39.92 87.51 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.29 -0.881 . . . . 0.0 109.144 179.215 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . 0.56 ' O ' ' N ' ' B' ' 16' ' ' HIS . 15.7 t60 -64.43 -43.69 93.53 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.047 -1.033 . . . . 0.0 109.95 179.799 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 72.6 tt0 -62.64 -42.39 99.57 Favored 'General case' 0 C--N 1.298 -1.652 0 O-C-N 121.241 -0.912 . . . . 0.0 110.794 -179.055 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 57.3 mtpt -61.98 -34.9 76.99 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.616 -0.678 . . . . 0.0 112.2 -178.69 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -134.97 -4.19 2.46 Favored 'General case' 0 N--CA 1.509 2.523 0 O-C-N 120.735 -1.228 . . . . 0.0 112.734 -177.014 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.56 ' N ' ' O ' ' B' ' 12' ' ' HIS . 89.8 m-70 54.17 43.84 30.04 Favored 'General case' 0 N--CA 1.492 1.643 0 N-CA-C 107.275 -1.38 . . . . 0.0 107.275 -177.102 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 87.5 p -65.52 156.63 31.94 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.39 -0.819 . . . . 0.0 110.536 -178.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 29.7 m120 -73.78 159.28 33.16 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.293 -0.879 . . . . 0.0 109.515 179.23 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 44.8 p-90 -58.06 -28.24 64.35 Favored 'General case' 0 C--N 1.297 -1.676 0 O-C-N 121.114 -0.992 . . . . 0.0 110.007 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -63.96 -39.84 95.05 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.05 -1.031 . . . . 0.0 109.513 179.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.54 -49.82 50.8 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.359 -0.838 . . . . 0.0 109.102 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 80.1 mtm -60.32 -40.14 89.55 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.39 -0.819 . . . . 0.0 109.663 179.634 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.537 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -58.83 -46.96 86.45 Favored 'General case' 0 C--N 1.304 -1.397 0 C-N-CA 119.0 -1.08 . . . . 0.0 108.767 -179.824 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 26.9 t -69.02 -37.39 78.61 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.095 -1.003 . . . . 0.0 110.103 179.616 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 59.5 t0 -60.2 -40.33 89.68 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.139 -0.976 . . . . 0.0 110.494 -179.509 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -110.04 -2.89 16.79 Favored 'General case' 0 N--CA 1.505 2.304 0 O-C-N 121.039 -1.038 . . . . 0.0 109.988 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.537 ' N ' ' O ' ' B' ' 23' ' ' ALA . 43.4 t30 57.39 50.47 11.33 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.787 -0.571 . . . . 0.0 110.309 179.226 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 75.5 mt -116.77 151.25 47.04 Favored Pre-proline 0 N--CA 1.501 2.083 0 O-C-N 121.335 -0.853 . . . . 0.0 110.16 -179.245 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -46.01 156.78 0.44 Allowed 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 121.742 1.628 . . . . 0.0 110.674 178.056 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_endo -57.74 -29.8 86.98 Favored 'Trans proline' 0 C--N 1.305 -1.717 0 C-N-CA 121.652 1.568 . . . . 0.0 110.905 179.174 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.548 HG11 HD11 ' A' ' 5' ' ' ILE . 53.5 t -56.82 -48.86 80.48 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.508 0 O-C-N 121.655 -0.653 . . . . 0.0 110.145 -178.307 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . 0.47 HG13 HD11 ' B' ' 5' ' ' ILE . 99.4 t -66.22 -50.13 70.77 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.943 0 C-N-CA 118.584 -1.246 . . . . 0.0 109.452 -178.759 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.17 -42.04 94.06 Favored 'General case' 0 C--N 1.299 -1.63 0 O-C-N 121.583 -0.698 . . . . 0.0 109.736 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 13.7 mmmt -62.06 -38.93 90.62 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.904 -1.122 . . . . 0.0 110.066 179.387 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 14.0 tm-20 -61.02 -40.08 92.22 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.129 -0.982 . . . . 0.0 110.618 -178.708 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 43.3 mt -60.29 -41.11 85.89 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.771 0 O-C-N 120.727 -1.233 . . . . 0.0 108.46 -179.665 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 65.3 t -66.48 -39.29 83.62 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.686 0 O-C-N 121.185 -0.947 . . . . 0.0 108.949 179.112 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.75 -33.32 72.76 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.549 -0.719 . . . . 0.0 110.556 -179.376 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 22.0 m -79.7 -23.29 42.5 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.308 -0.87 . . . . 0.0 109.866 -178.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 48.4 t -80.18 100.15 8.14 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.084 -1.01 . . . . 0.0 108.96 179.482 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -60.31 -29.95 69.18 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 121.528 -0.732 . . . . 0.0 110.117 -179.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 63.0 mttm -69.38 -30.9 68.99 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.788 -1.195 . . . . 0.0 111.297 -178.019 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 22.0 m -90.74 -59.32 2.21 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.38 -0.825 . . . . 0.0 112.569 -178.586 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . 0.428 ' OE1' ' NE2' ' A' ' 44' ' ' GLN . 45.9 tt0 -69.63 -39.82 76.91 Favored 'General case' 0 N--CA 1.503 2.194 0 O-C-N 120.487 -1.383 . . . . 0.0 112.731 -176.753 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 64.1 mt -80.46 12.74 2.83 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 120.357 -1.464 . . . . 0.0 109.85 -178.608 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -84.28 126.27 33.02 Favored 'General case' 0 C--N 1.296 -1.726 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 179.257 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 159.6 -162.63 33.07 Favored Glycine 0 N--CA 1.487 2.046 0 N-CA-C 109.4 -1.48 . . . . 0.0 109.4 -179.647 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -89.44 128.94 36.01 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.239 -1.154 . . . . 0.0 109.48 179.685 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -94.51 -178.83 4.69 Favored 'General case' 0 C--N 1.297 -1.706 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 179.192 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 58.5 mtt -59.79 -13.6 11.1 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.615 -1.303 . . . . 0.0 110.041 -179.049 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 56.2 t-80 -86.5 128.93 35.01 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.683 -1.261 . . . . 0.0 109.202 178.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -177.32 -55.55 0.07 OUTLIER Glycine 0 N--CA 1.489 2.199 0 N-CA-C 108.833 -1.707 . . . . 0.0 108.833 -179.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . 0.409 ' O ' ' O ' ' B' ' 54' ' ' VAL . 26.9 mt-30 -73.08 169.24 17.42 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.46 -1.024 . . . . 0.0 108.968 179.547 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.409 ' O ' ' O ' ' B' ' 53' ' ' GLN . 13.4 t 59.46 156.93 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.5 2.063 0 O-C-N 121.208 -0.933 . . . . 0.0 109.114 -178.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 51.8 t0 . . . . . 0 C--N 1.304 -1.406 0 CA-C-O 117.901 -1.047 . . . . 0.0 108.393 179.434 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.465 ' O ' HD12 ' A' ' 5' ' ' ILE . 46.4 m-85 . . . . . 0 N--CA 1.49 1.552 0 CA-C-O 121.566 0.698 . . . . 0.0 109.435 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 19.0 mt -71.24 -19.81 62.32 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.604 -0.685 . . . . 0.0 111.548 -178.654 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.547 ' OD1' ' N ' ' A' ' 3' ' ' ASP . 13.4 p-10 -67.65 -65.03 0.74 Allowed 'General case' 0 C--N 1.295 -1.804 0 O-C-N 121.045 -1.034 . . . . 0.0 111.309 -178.522 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.401 ' H ' ' CG ' ' A' ' 3' ' ' ASP . . . -61.05 -40.36 98.4 Favored Glycine 0 N--CA 1.497 2.764 0 N-CA-C 110.144 -1.183 . . . . 0.0 110.144 -179.24 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.495 ' O ' ' N ' ' A' ' 9' ' ' GLN . 96.6 mt -59.75 -40.24 81.95 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.536 0 O-C-N 121.531 -0.982 . . . . 0.0 109.932 -179.464 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 59.4 t0 -54.97 -44.83 74.77 Favored 'General case' 0 N--CA 1.485 1.294 0 O-C-N 120.817 -1.177 . . . . 0.0 108.163 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 60.1 tttp -69.17 -44.64 71.8 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.284 -0.885 . . . . 0.0 109.141 178.674 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.64 -34.15 77.61 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.236 -0.915 . . . . 0.0 109.496 179.464 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.495 ' N ' ' O ' ' A' ' 5' ' ' ILE . 58.5 tt0 -58.23 -42.04 85.44 Favored 'General case' 0 C--N 1.303 -1.456 0 C-N-CA 119.625 -0.83 . . . . 0.0 109.233 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -59.92 -40.44 88.89 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 119.527 -0.869 . . . . 0.0 109.547 179.609 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -60.68 -41.27 94.79 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 179.626 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.546 ' O ' ' N ' ' A' ' 16' ' ' HIS . 16.0 t60 -61.32 -47.02 87.87 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.363 -0.836 . . . . 0.0 110.026 179.382 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 34.1 tp10 -60.28 -41.27 92.99 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.007 -1.058 . . . . 0.0 110.415 -179.323 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.1 mtpp -61.23 -37.03 81.6 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.162 -0.961 . . . . 0.0 112.655 -178.652 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -135.13 -3.96 2.43 Favored 'General case' 0 N--CA 1.507 2.384 0 O-C-N 120.989 -1.07 . . . . 0.0 112.662 -176.62 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.546 ' N ' ' O ' ' A' ' 12' ' ' HIS . 89.2 m-70 55.65 49.92 15.44 Favored 'General case' 0 N--CA 1.496 1.848 0 N-CA-C 107.447 -1.316 . . . . 0.0 107.447 -177.639 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 68.0 p -69.57 154.05 42.57 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.664 -0.648 . . . . 0.0 110.786 -178.568 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -73.24 155.39 39.58 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.41 -0.807 . . . . 0.0 108.954 179.717 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 40.5 p-90 -55.03 -30.34 59.33 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.17 -0.956 . . . . 0.0 110.111 -179.351 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 85.6 mtm180 -62.03 -40.47 95.83 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.072 -1.018 . . . . 0.0 109.931 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.55 -48.69 54.13 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.266 -0.896 . . . . 0.0 109.234 -179.595 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 76.8 mtm -59.94 -39.88 87.05 Favored 'General case' 0 C--N 1.304 -1.409 0 C-N-CA 119.673 -0.811 . . . . 0.0 109.388 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -57.65 -48.44 79.48 Favored 'General case' 0 C--N 1.297 -1.715 0 C-N-CA 119.054 -1.058 . . . . 0.0 109.109 179.591 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 35.1 t -69.91 -35.38 74.56 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.253 -0.904 . . . . 0.0 110.612 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 54.2 m-20 -60.79 -40.03 91.12 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.326 -0.859 . . . . 0.0 110.557 -178.198 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -112.23 -1.63 15.13 Favored 'General case' 0 N--CA 1.502 2.152 0 O-C-N 121.302 -0.874 . . . . 0.0 110.089 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.456 ' N ' ' O ' ' A' ' 23' ' ' ALA . 42.7 t30 59.95 48.72 8.47 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.352 -0.843 . . . . 0.0 109.152 -179.755 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 75.8 mt -111.37 152.29 43.79 Favored Pre-proline 0 N--CA 1.499 1.984 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 179.743 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -59.96 159.81 24.19 Favored 'Trans proline' 0 C--N 1.312 -1.386 0 C-N-CA 121.242 1.295 . . . . 0.0 111.315 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -55.35 -36.3 93.5 Favored 'Trans proline' 0 C--N 1.307 -1.622 0 C-N-CA 122.418 2.079 . . . . 0.0 110.699 -179.523 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 32.3 t -54.01 -48.58 63.9 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.706 0 C-N-CA 119.749 -0.781 . . . . 0.0 110.377 -179.431 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 58.1 t -69.13 -46.66 77.71 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.968 0 C-N-CA 118.522 -1.271 . . . . 0.0 109.673 -178.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.93 -45.03 83.31 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.358 -0.839 . . . . 0.0 109.851 179.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp -61.96 -34.89 76.97 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.038 -1.039 . . . . 0.0 110.25 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -63.81 -39.04 93.3 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.054 -1.029 . . . . 0.0 110.383 -179.63 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 59.8 mt -59.81 -40.59 83.06 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 O-C-N 120.841 -1.162 . . . . 0.0 108.442 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 90.6 t -64.04 -38.99 83.86 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.631 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 178.564 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.54 -34.05 73.55 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.545 -0.722 . . . . 0.0 110.264 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.2 m -78.44 -25.25 45.9 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.082 -1.011 . . . . 0.0 109.626 -179.284 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 40.9 t -82.86 101.23 10.84 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.414 -0.804 . . . . 0.0 109.243 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -60.44 -29.76 69.21 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.642 -0.662 . . . . 0.0 110.093 -179.552 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 64.0 mttm -68.96 -39.92 79.21 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 120.848 -1.157 . . . . 0.0 109.968 -178.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 67.6 m -86.16 -20.2 28.96 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.153 -0.967 . . . . 0.0 109.878 179.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -74.64 -73.16 0.25 Allowed 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.049 -1.032 . . . . 0.0 109.057 -179.7 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 34.1 mt -82.15 112.04 18.82 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 179.304 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 54.6 tttp -88.49 -75.57 0.42 Allowed 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.002 -1.061 . . . . 0.0 109.952 -179.487 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -96.1 126.04 8.64 Favored Glycine 0 N--CA 1.496 2.664 0 N-CA-C 109.813 -1.315 . . . . 0.0 109.813 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 19.6 pt-20 -89.57 137.35 32.4 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.373 -1.074 . . . . 0.0 108.499 179.136 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -77.02 150.77 35.77 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.063 -1.023 . . . . 0.0 110.462 -179.326 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 1.8 mmm -179.69 154.98 0.62 Allowed 'General case' 0 N--CA 1.496 1.872 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 50.5 m-70 48.8 -100.08 0.07 Allowed 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.168 -0.957 . . . . 0.0 110.469 178.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 85.13 -74.24 2.51 Favored Glycine 0 N--CA 1.494 2.535 0 N-CA-C 109.967 -1.253 . . . . 0.0 109.967 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.415 ' O ' ' CG2' ' A' ' 54' ' ' VAL . 27.0 mt-30 -95.18 142.59 27.43 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.443 -1.033 . . . . 0.0 109.663 -179.411 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.415 ' CG2' ' O ' ' A' ' 53' ' ' GLN . 26.4 m 43.12 -153.32 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.955 0 O-C-N 121.575 -0.703 . . . . 0.0 110.221 179.405 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 65.7 t0 . . . . . 0 N--CA 1.49 1.569 0 CA-C-O 118.103 -0.951 . . . . 0.0 109.911 -179.952 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . 0.53 ' O ' HD12 ' B' ' 5' ' ' ILE . 43.9 m-85 . . . . . 0 N--CA 1.491 1.577 0 CA-C-O 121.314 0.578 . . . . 0.0 109.644 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 19.5 mt -73.09 -17.39 61.42 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.575 -0.703 . . . . 0.0 111.345 -178.222 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . 0.524 ' OD1' ' N ' ' B' ' 3' ' ' ASP . 14.3 p-10 -69.95 -64.95 0.79 Allowed 'General case' 0 C--N 1.3 -1.569 0 O-C-N 120.843 -1.161 . . . . 0.0 110.85 -178.839 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . 0.432 ' H ' ' CG ' ' B' ' 3' ' ' ASP . . . -59.99 -41.57 97.96 Favored Glycine 0 N--CA 1.498 2.832 0 N-CA-C 110.314 -1.114 . . . . 0.0 110.314 -179.514 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.53 HD12 ' O ' ' B' ' 1' ' ' PHE . 95.8 mt -59.64 -40.64 82.75 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 O-C-N 121.392 -1.064 . . . . 0.0 110.016 -179.646 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 62.7 t0 -54.88 -44.14 73.82 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 120.756 -1.215 . . . . 0.0 108.593 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 60.2 tttp -69.65 -45.27 68.8 Favored 'General case' 0 N--CA 1.491 1.607 0 C-N-CA 119.521 -0.872 . . . . 0.0 108.935 178.455 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.71 -33.59 76.33 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.496 -0.753 . . . . 0.0 109.538 179.442 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' B' ' 5' ' ' ILE . 58.9 tt0 -58.68 -41.19 85.63 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.25 -0.906 . . . . 0.0 109.026 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -60.83 -41.64 96.15 Favored 'General case' 0 C--N 1.302 -1.491 0 C-N-CA 119.148 -1.021 . . . . 0.0 109.202 179.197 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -59.48 -39.77 84.79 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.125 -0.984 . . . . 0.0 108.396 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . 0.561 ' O ' ' N ' ' B' ' 16' ' ' HIS . 17.0 t60 -62.38 -47.47 84.01 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.063 -1.023 . . . . 0.0 110.182 179.282 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 28.3 tp10 -59.94 -41.79 92.58 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.019 -1.051 . . . . 0.0 110.711 -179.141 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 26.3 mtpp -60.49 -36.16 77.64 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.47 -0.769 . . . . 0.0 112.456 -178.571 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -136.22 -3.91 2.17 Favored 'General case' 0 N--CA 1.506 2.367 0 O-C-N 120.936 -1.103 . . . . 0.0 112.528 -176.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.561 ' N ' ' O ' ' B' ' 12' ' ' HIS . 90.4 m-70 56.07 47.77 19.02 Favored 'General case' 0 N--CA 1.498 1.966 0 N-CA-C 107.605 -1.257 . . . . 0.0 107.605 -177.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 78.2 p -66.63 155.15 38.68 Favored 'General case' 0 C--N 1.302 -1.494 0 C-N-CA 119.923 -0.711 . . . . 0.0 110.48 -178.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -74.43 157.56 35.41 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.516 -0.74 . . . . 0.0 109.17 179.306 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 37.1 p-90 -56.38 -30.87 63.24 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.139 -0.976 . . . . 0.0 110.203 -179.618 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 87.6 mtm180 -62.53 -39.6 94.11 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.831 -1.168 . . . . 0.0 109.92 -179.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.01 -49.52 50.62 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.322 -0.861 . . . . 0.0 109.312 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 77.8 mtm -59.32 -40.38 86.09 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.363 -0.836 . . . . 0.0 109.551 -179.7 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.485 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -57.5 -47.57 81.58 Favored 'General case' 0 C--N 1.3 -1.577 0 C-N-CA 118.897 -1.121 . . . . 0.0 109.358 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 47.9 t -70.18 -35.53 74.04 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.592 -0.693 . . . . 0.0 110.797 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -60.71 -41.05 94.44 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.153 -0.967 . . . . 0.0 110.257 -178.51 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -111.62 -1.28 15.8 Favored 'General case' 0 N--CA 1.503 2.202 0 O-C-N 121.546 -0.721 . . . . 0.0 110.277 -179.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.485 ' N ' ' O ' ' B' ' 23' ' ' ALA . 39.7 t30 59.94 46.77 10.69 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.049 -1.032 . . . . 0.0 109.234 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 81.6 mt -109.94 152.44 43.02 Favored Pre-proline 0 N--CA 1.497 1.897 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -60.51 159.91 25.96 Favored 'Trans proline' 0 C--N 1.313 -1.33 0 C-N-CA 121.197 1.264 . . . . 0.0 111.043 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_endo -55.77 -35.65 93.86 Favored 'Trans proline' 0 C--N 1.302 -1.901 0 C-N-CA 122.603 2.202 . . . . 0.0 110.919 -179.359 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 34.1 t -54.86 -48.43 74.09 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.631 0 O-C-N 121.302 -0.874 . . . . 0.0 110.094 -179.574 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 60.0 t -68.87 -46.63 78.89 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.639 0 C-N-CA 118.274 -1.37 . . . . 0.0 109.53 -179.279 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.65 -45.66 82.12 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.165 -0.959 . . . . 0.0 109.758 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 25.8 mtpp -61.71 -34.04 75.09 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.935 -1.103 . . . . 0.0 110.259 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.1 tm-20 -64.03 -39.63 94.52 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.945 -1.097 . . . . 0.0 110.267 -179.445 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 62.6 mt -59.54 -39.77 80.21 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.347 0 O-C-N 120.892 -1.13 . . . . 0.0 108.405 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 90.1 t -64.61 -39.48 85.77 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.565 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 178.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . 0.443 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -59.91 -32.52 70.83 Favored 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.292 179.434 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 14.9 m -79.74 -27.58 40.53 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.033 -1.042 . . . . 0.0 109.581 -179.532 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 42.7 t -81.32 102.7 10.59 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.056 -1.028 . . . . 0.0 109.022 179.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -61.89 -29.09 69.97 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.734 -0.604 . . . . 0.0 110.306 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -68.98 -39.57 79.32 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.816 -1.177 . . . . 0.0 109.904 -178.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 64.0 m -85.73 -22.76 27.63 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.195 -0.94 . . . . 0.0 109.483 179.561 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . 0.443 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 24.1 tt0 -73.01 -73.59 0.2 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.074 -1.016 . . . . 0.0 109.237 -179.689 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 31.7 mt -81.73 111.97 18.47 Favored 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 179.186 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 53.4 tttp -88.81 -75.38 0.43 Allowed 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.32 -0.863 . . . . 0.0 109.561 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -95.62 124.89 8.18 Favored Glycine 0 N--CA 1.495 2.6 0 N-CA-C 110.342 -1.103 . . . . 0.0 110.342 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -87.28 139.96 30.02 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.268 -1.137 . . . . 0.0 108.103 178.57 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.05 149.75 29.11 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 120.919 -1.113 . . . . 0.0 110.34 -179.057 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 1.7 mmm -179.02 154.93 0.71 Allowed 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.609 -0.682 . . . . 0.0 109.161 -179.407 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 41.9 m-70 49.02 -100.81 0.08 Allowed 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.165 -0.959 . . . . 0.0 110.237 179.042 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 84.99 -73.19 2.67 Favored Glycine 0 N--CA 1.49 2.242 0 N-CA-C 109.758 -1.337 . . . . 0.0 109.758 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . 0.4 ' O ' ' CG2' ' B' ' 54' ' ' VAL . 27.2 mt-30 -96.7 143.65 27.45 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.089 -1.242 . . . . 0.0 109.602 -179.484 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.4 ' CG2' ' O ' ' B' ' 53' ' ' GLN . 29.8 m 42.79 -153.11 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.858 0 O-C-N 121.171 -0.956 . . . . 0.0 110.372 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 60.8 t0 . . . . . 0 N--CA 1.491 1.625 0 CA-C-O 118.143 -0.932 . . . . 0.0 109.727 179.919 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 . . . . . 0 N--CA 1.49 1.558 0 CA-C-O 121.313 0.578 . . . . 0.0 109.802 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 16.1 mt -73.37 -41.12 63.79 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.428 -0.795 . . . . 0.0 111.488 -178.434 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -65.33 -42.45 92.9 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 120.562 -1.336 . . . . 0.0 110.638 -178.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.95 -48.6 47.03 Favored Glycine 0 N--CA 1.491 2.334 0 N-CA-C 109.917 -1.273 . . . . 0.0 109.917 -179.487 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.498 HD11 HG11 ' B' ' 31' ' ' VAL . 83.8 mt -59.76 -38.45 76.04 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.625 0 O-C-N 121.455 -1.026 . . . . 0.0 110.256 -179.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -55.43 -45.17 76.78 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 120.854 -1.154 . . . . 0.0 109.129 -179.215 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -69.54 -43.25 73.36 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.998 -1.064 . . . . 0.0 109.154 178.679 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.06 -37.84 84.74 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.558 -0.714 . . . . 0.0 109.866 179.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.417 ' N ' ' O ' ' A' ' 5' ' ' ILE . 61.3 tt0 -56.38 -40.64 74.93 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.273 -0.892 . . . . 0.0 109.244 -179.617 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 66.4 tt0 -61.17 -43.74 98.41 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.167 -0.958 . . . . 0.0 108.882 179.335 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 23.5 tp10 -60.55 -39.82 89.32 Favored 'General case' 0 C--N 1.306 -1.321 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.559 ' O ' ' N ' ' A' ' 16' ' ' HIS . 17.9 t60 -61.59 -48.08 82.55 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.179 -0.951 . . . . 0.0 109.753 179.594 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 34.7 tp10 -60.44 -41.07 93.27 Favored 'General case' 0 C--N 1.296 -1.744 0 O-C-N 121.188 -0.945 . . . . 0.0 110.365 -179.113 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -62.75 -31.25 72.16 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.333 -0.854 . . . . 0.0 112.677 -178.287 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -140.06 -4.17 1.36 Allowed 'General case' 0 N--CA 1.51 2.533 0 O-C-N 120.539 -1.351 . . . . 0.0 111.935 -177.557 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.559 ' N ' ' O ' ' A' ' 12' ' ' HIS . 88.2 m-70 54.97 43.12 30.39 Favored 'General case' 0 N--CA 1.495 1.796 0 N-CA-C 107.349 -1.352 . . . . 0.0 107.349 -177.255 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 90.9 p -64.29 157.27 26.49 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.579 -0.701 . . . . 0.0 110.707 -178.463 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 19.9 m120 -73.36 159.92 32.59 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.406 -0.809 . . . . 0.0 109.318 179.707 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.411 ' CD1' ' HD3' ' A' ' 34' ' ' LYS . 36.5 p-90 -57.36 -29.39 63.98 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.182 -0.949 . . . . 0.0 109.851 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -63.97 -40.04 95.5 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.018 -1.051 . . . . 0.0 109.822 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.49 -49.63 58.28 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.145 -0.972 . . . . 0.0 109.267 -179.709 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 78.9 mtm -60.2 -41.02 92.1 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.228 -0.92 . . . . 0.0 109.5 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.521 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -56.76 -46.7 81.28 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.186 -0.946 . . . . 0.0 109.608 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 7.7 t -69.8 -37.32 76.26 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.171 -0.956 . . . . 0.0 110.565 -179.692 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -60.36 -39.98 89.11 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.266 -0.896 . . . . 0.0 110.435 -178.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -111.05 0.9 17.09 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.432 -0.793 . . . . 0.0 109.765 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.521 ' N ' ' O ' ' A' ' 23' ' ' ALA . 15.2 m120 55.01 47.16 22.72 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.593 -0.692 . . . . 0.0 109.969 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 45.1 mt -112.6 151.69 44.1 Favored Pre-proline 0 N--CA 1.503 2.201 0 O-C-N 121.226 -0.922 . . . . 0.0 108.873 179.644 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -58.78 162.14 13.7 Favored 'Trans proline' 0 C--N 1.312 -1.345 0 C-N-CA 121.431 1.421 . . . . 0.0 111.41 179.655 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -56.7 -29.54 80.51 Favored 'Trans proline' 0 C--N 1.304 -1.77 0 C-N-CA 122.412 2.075 . . . . 0.0 111.408 179.482 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.506 HG11 HD11 ' B' ' 5' ' ' ILE . 95.4 t -57.56 -49.33 80.82 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.611 0 O-C-N 121.117 -0.989 . . . . 0.0 109.659 -178.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 59.4 t -68.48 -47.72 75.92 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.914 0 C-N-CA 118.937 -1.105 . . . . 0.0 108.841 -179.617 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.54 -44.53 86.59 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.423 -0.798 . . . . 0.0 110.436 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.411 ' HD3' ' CD1' ' A' ' 19' ' ' TRP . 19.8 mmmt -62.74 -35.66 80.5 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.811 -1.181 . . . . 0.0 109.646 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.5 tm-20 -61.72 -40.05 93.68 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.283 -0.886 . . . . 0.0 110.203 -178.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 26.8 mt -60.12 -40.22 82.76 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 120.787 -1.196 . . . . 0.0 108.67 179.458 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 69.0 t -62.98 -39.6 85.8 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 121.268 -0.895 . . . . 0.0 109.241 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.21 -33.46 72.28 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.392 -0.817 . . . . 0.0 110.25 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 52.5 m -77.68 -27.54 50.82 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.289 -0.882 . . . . 0.0 110.164 -178.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 44.3 t -79.62 104.51 10.27 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.183 -0.948 . . . . 0.0 109.236 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -60.12 -31.37 69.99 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.327 -0.858 . . . . 0.0 110.587 -179.499 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -69.27 -43.34 74.12 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.949 -1.095 . . . . 0.0 110.653 -179.114 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 88.3 m -84.42 -32.39 24.13 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.92 -1.113 . . . . 0.0 110.269 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -68.81 -51.62 38.83 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.07 -1.019 . . . . 0.0 111.066 -178.587 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 67.7 mt -87.38 54.87 3.3 Favored 'General case' 0 N--CA 1.494 1.737 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 18.1 ptmt -82.49 150.75 26.83 Favored 'General case' 0 C--N 1.294 -1.811 0 O-C-N 121.508 -0.745 . . . . 0.0 110.197 -178.677 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.66 -178.9 52.41 Favored Glycine 0 N--CA 1.49 2.254 0 N-CA-C 109.731 -1.347 . . . . 0.0 109.731 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.8 mp0 -93.1 135.33 34.39 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.382 -1.069 . . . . 0.0 109.692 179.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.406 ' HB3' ' SD ' ' B' ' 50' ' ' MET . . . -81.7 -127.2 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.265 -0.897 . . . . 0.0 109.126 179.589 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.511 ' N ' ' SD ' ' A' ' 50' ' ' MET . 0.0 OUTLIER -55.66 -83.19 0.01 OUTLIER 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.517 -0.74 . . . . 0.0 109.364 179.629 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.405 ' O ' ' CG ' ' A' ' 51' ' ' HIS . 33.0 t60 42.65 54.72 4.46 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.429 -0.794 . . . . 0.0 109.498 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -175.36 68.46 0.09 OUTLIER Glycine 0 N--CA 1.487 2.09 0 C-N-CA 119.566 -1.302 . . . . 0.0 109.914 -179.545 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.49 ' HG2' ' H ' ' A' ' 54' ' ' VAL . 17.9 tt0 -165.67 -174.74 3.21 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.285 -1.127 . . . . 0.0 108.345 179.705 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.549 HG12 ' N ' ' A' ' 55' ' ' ASP . 56.2 t 56.98 166.56 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 121.33 -0.856 . . . . 0.0 109.492 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.549 ' N ' HG12 ' A' ' 54' ' ' VAL . 71.5 m-20 . . . . . 0 C--N 1.303 -1.419 0 CA-C-O 117.87 -1.062 . . . . 0.0 108.94 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 . . . . . 0 N--CA 1.49 1.543 0 CA-C-O 121.366 0.603 . . . . 0.0 109.923 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 16.5 mt -74.03 -40.32 62.94 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.468 -0.77 . . . . 0.0 111.499 -178.107 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -65.99 -42.11 90.21 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.634 -1.291 . . . . 0.0 110.674 -178.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.71 -47.81 46.37 Favored Glycine 0 N--CA 1.489 2.19 0 N-CA-C 109.671 -1.372 . . . . 0.0 109.671 -179.65 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.506 HD11 HG11 ' A' ' 31' ' ' VAL . 90.1 mt -60.01 -38.83 78.31 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.526 0 O-C-N 121.425 -1.044 . . . . 0.0 110.274 -179.651 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -55.41 -46.36 76.64 Favored 'General case' 0 C--N 1.296 -1.723 0 O-C-N 120.77 -1.206 . . . . 0.0 109.13 -179.371 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -69.06 -42.26 76.51 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.949 -1.095 . . . . 0.0 108.929 178.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.43 -36.94 82.24 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.402 -0.811 . . . . 0.0 109.893 179.615 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . 0.429 ' N ' ' O ' ' B' ' 5' ' ' ILE . 61.0 tt0 -57.58 -40.45 79.03 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.439 -0.788 . . . . 0.0 109.118 -179.3 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 69.2 tt0 -61.12 -43.7 98.48 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.27 -0.894 . . . . 0.0 108.861 179.238 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 25.7 tp10 -60.43 -40.95 92.9 Favored 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 179.634 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . 0.565 ' O ' ' N ' ' B' ' 16' ' ' HIS . 17.4 t60 -60.98 -46.16 91.87 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.249 -0.907 . . . . 0.0 110.246 179.77 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 34.2 tp10 -61.97 -41.31 97.87 Favored 'General case' 0 C--N 1.298 -1.647 0 O-C-N 121.072 -1.017 . . . . 0.0 110.284 -179.296 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 57.1 mtpt -62.62 -31.63 72.51 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.562 -0.711 . . . . 0.0 112.615 -178.014 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -139.11 -6.38 1.41 Allowed 'General case' 0 N--CA 1.506 2.359 0 O-C-N 120.576 -1.328 . . . . 0.0 111.934 -177.567 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.565 ' N ' ' O ' ' B' ' 12' ' ' HIS . 87.7 m-70 56.52 44.2 24.53 Favored 'General case' 0 N--CA 1.497 1.919 0 N-CA-C 107.075 -1.454 . . . . 0.0 107.075 -177.051 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 91.0 p -65.26 157.0 30.17 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.595 -0.691 . . . . 0.0 110.676 -178.451 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -73.75 159.04 33.53 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.473 -0.767 . . . . 0.0 109.044 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 42.3 p-90 -56.53 -29.43 61.89 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.066 -1.021 . . . . 0.0 110.257 -179.423 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -63.86 -39.91 95.32 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.946 -1.096 . . . . 0.0 110.225 -179.583 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.64 -49.49 58.76 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.304 -0.872 . . . . 0.0 109.163 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 78.6 mtm -60.35 -40.12 89.58 Favored 'General case' 0 C--N 1.301 -1.505 0 C-N-CA 119.371 -0.932 . . . . 0.0 109.5 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.504 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -58.14 -45.65 87.01 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.246 -0.909 . . . . 0.0 109.454 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 7.6 t -70.56 -37.04 73.96 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.445 -0.784 . . . . 0.0 110.536 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -61.23 -40.25 93.3 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.052 -1.03 . . . . 0.0 110.132 -178.674 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -110.16 1.6 18.87 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.587 -0.696 . . . . 0.0 109.527 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.504 ' N ' ' O ' ' B' ' 23' ' ' ALA . 15.3 m120 54.16 48.34 21.15 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.376 -0.827 . . . . 0.0 109.86 179.645 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 47.2 mt -113.57 152.75 45.66 Favored Pre-proline 0 N--CA 1.503 2.195 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -59.72 162.25 16.08 Favored 'Trans proline' 0 C--N 1.312 -1.379 0 C-N-CA 121.349 1.366 . . . . 0.0 111.115 179.567 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_endo -56.88 -29.93 83.62 Favored 'Trans proline' 0 C--N 1.302 -1.915 0 C-N-CA 122.461 2.107 . . . . 0.0 111.628 179.393 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.498 HG11 HD11 ' A' ' 5' ' ' ILE . 96.1 t -57.13 -47.88 83.04 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.572 0 O-C-N 121.228 -0.92 . . . . 0.0 109.861 -179.419 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 57.3 t -70.01 -48.38 63.18 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.801 0 C-N-CA 118.591 -1.244 . . . . 0.0 108.959 -179.645 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.09 -43.53 91.82 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.393 -0.817 . . . . 0.0 110.653 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 19.9 mmmt -62.97 -36.13 82.47 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.739 -1.226 . . . . 0.0 109.719 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.4 tm-20 -61.21 -40.06 92.54 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.385 -0.822 . . . . 0.0 110.101 -179.064 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 23.3 mt -60.38 -40.01 82.72 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 120.774 -1.204 . . . . 0.0 108.576 179.445 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 63.1 t -63.4 -38.83 83.22 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 121.272 -0.892 . . . . 0.0 109.242 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . 0.503 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -61.1 -34.7 75.36 Favored 'General case' 0 C--N 1.298 -1.653 0 O-C-N 121.445 -0.784 . . . . 0.0 110.223 -179.744 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 56.7 m -76.11 -27.6 57.17 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.304 -0.873 . . . . 0.0 110.18 -179.117 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 44.0 t -80.37 104.56 11.0 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.118 -0.989 . . . . 0.0 109.56 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 80.9 m-20 -60.11 -31.77 70.37 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.454 -0.779 . . . . 0.0 110.829 -179.657 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -68.74 -42.53 77.45 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.756 -1.215 . . . . 0.0 110.138 -179.148 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 84.6 m -85.44 -31.89 22.6 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.94 -1.1 . . . . 0.0 110.549 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . 0.503 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 49.5 tt0 -69.53 -52.08 29.65 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.047 -1.033 . . . . 0.0 110.754 -178.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 65.9 mt -86.83 55.75 3.7 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.337 -0.852 . . . . 0.0 108.706 179.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 17.8 ptmt -83.69 150.58 25.77 Favored 'General case' 0 C--N 1.296 -1.744 0 CA-C-O 121.435 0.636 . . . . 0.0 110.037 -178.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 84.68 -175.76 50.77 Favored Glycine 0 N--CA 1.493 2.485 0 N-CA-C 109.713 -1.355 . . . . 0.0 109.713 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 6.9 mp0 -97.58 134.85 40.25 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.4 -1.059 . . . . 0.0 109.133 179.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.75 -123.77 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.725 0 O-C-N 120.977 -1.077 . . . . 0.0 109.519 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . 0.466 ' SD ' ' N ' ' B' ' 50' ' ' MET . 0.0 OUTLIER -58.74 -83.53 0.01 OUTLIER 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.33 -0.856 . . . . 0.0 108.911 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 51' ' ' HIS . . . . . 0.415 ' C ' ' O ' ' B' ' 50' ' ' MET . 31.3 t60 42.15 56.34 3.63 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.507 -0.745 . . . . 0.0 109.527 -179.77 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -175.43 65.78 0.1 OUTLIER Glycine 0 N--CA 1.487 2.053 0 C-N-CA 119.505 -1.331 . . . . 0.0 110.125 -179.354 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . 0.481 ' HG2' ' H ' ' B' ' 54' ' ' VAL . 19.4 tt0 -165.17 -175.58 3.72 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.223 -1.163 . . . . 0.0 108.462 -179.82 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.543 HG12 ' N ' ' B' ' 55' ' ' ASP . 48.4 t 58.76 166.92 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 O-C-N 121.304 -0.872 . . . . 0.0 109.416 -179.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.543 ' N ' HG12 ' B' ' 54' ' ' VAL . 73.2 m-20 . . . . . 0 C--N 1.305 -1.341 0 CA-C-O 118.189 -0.91 . . . . 0.0 109.262 -179.231 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.442 ' O ' HD12 ' A' ' 5' ' ' ILE . 64.0 m-85 . . . . . 0 N--CA 1.492 1.63 0 CA-C-O 121.04 0.448 . . . . 0.0 110.289 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 40.4 mt -74.55 -19.59 60.28 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.078 -1.014 . . . . 0.0 111.532 -178.161 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.509 ' OD1' ' N ' ' A' ' 4' ' ' GLY . 31.5 p-10 -67.94 -61.35 1.91 Allowed 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.83 -1.169 . . . . 0.0 111.367 -178.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.509 ' N ' ' OD1' ' A' ' 3' ' ' ASP . . . -63.36 -41.57 99.4 Favored Glycine 0 N--CA 1.493 2.475 0 C-N-CA 119.881 -1.152 . . . . 0.0 110.275 -179.116 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.461 ' O ' ' N ' ' A' ' 9' ' ' GLN . 97.0 mt -59.04 -40.53 80.96 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.547 0 O-C-N 121.134 -1.215 . . . . 0.0 110.702 -179.399 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 60.9 t0 -55.6 -47.81 75.88 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.831 -1.168 . . . . 0.0 109.055 -179.455 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 7.3 tmtt? -68.98 -47.75 64.8 Favored 'General case' 0 C--N 1.298 -1.661 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 179.295 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.93 -33.37 74.15 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.259 -0.901 . . . . 0.0 110.184 179.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.461 ' N ' ' O ' ' A' ' 5' ' ' ILE . 7.2 tt0 -59.14 -39.82 83.59 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.12 -0.988 . . . . 0.0 109.028 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -60.02 -42.27 93.96 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.435 -0.791 . . . . 0.0 109.052 179.151 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.7 tm-20 -60.02 -40.21 88.49 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.232 -0.918 . . . . 0.0 109.277 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.52 ' O ' ' N ' ' A' ' 16' ' ' HIS . 13.9 t60 -63.04 -43.85 97.51 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.104 -0.997 . . . . 0.0 109.896 179.492 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 -61.44 -43.26 99.18 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.247 -0.908 . . . . 0.0 110.145 -179.475 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 52.3 mtpt -62.02 -35.82 79.7 Favored 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 112.689 0.626 . . . . 0.0 112.689 -178.174 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -135.4 -4.56 2.33 Favored 'General case' 0 N--CA 1.506 2.349 0 O-C-N 120.765 -1.21 . . . . 0.0 112.87 -176.667 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.52 ' N ' ' O ' ' A' ' 12' ' ' HIS . 89.3 m-70 55.65 40.73 30.97 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 120.622 -1.299 . . . . 0.0 107.523 -177.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 78.8 p -60.52 156.82 15.46 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.535 -0.728 . . . . 0.0 110.766 -178.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 -73.64 156.45 37.99 Favored 'General case' 0 N--CA 1.49 1.572 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 179.251 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 44.8 p-90 -57.89 -30.19 65.66 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.104 -0.998 . . . . 0.0 110.211 -179.58 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -62.41 -40.2 95.77 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.845 -1.159 . . . . 0.0 109.524 179.71 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.29 -49.48 55.57 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.52 -0.738 . . . . 0.0 109.448 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 77.4 mtm -60.19 -40.37 89.81 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.025 -1.047 . . . . 0.0 109.43 178.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.421 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -57.29 -49.2 76.82 Favored 'General case' 0 C--N 1.303 -1.435 0 C-N-CA 119.171 -1.012 . . . . 0.0 108.764 -179.562 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 42.1 m -70.42 -34.05 72.06 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.665 -0.647 . . . . 0.0 110.389 179.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 84.4 m-20 -60.02 -42.03 93.44 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.963 -1.086 . . . . 0.0 109.941 -178.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -110.78 1.8 18.0 Favored 'General case' 0 N--CA 1.504 2.235 0 O-C-N 121.283 -0.886 . . . . 0.0 110.77 -179.633 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.421 ' N ' ' O ' ' A' ' 23' ' ' ALA . 56.2 m-20 58.89 48.61 10.86 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.282 -0.886 . . . . 0.0 109.758 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 80.8 mt -114.07 150.56 43.78 Favored Pre-proline 0 N--CA 1.503 2.205 0 O-C-N 121.475 -0.765 . . . . 0.0 108.974 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -60.35 160.69 22.54 Favored 'Trans proline' 0 N--CA 1.488 1.198 0 C-N-CA 121.753 1.635 . . . . 0.0 111.599 179.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -55.23 -36.2 92.86 Favored 'Trans proline' 0 C--N 1.308 -1.578 0 C-N-CA 122.858 2.372 . . . . 0.0 112.31 -179.05 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 98.4 t -56.71 -46.73 83.14 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.649 0 O-C-N 121.133 -0.979 . . . . 0.0 109.41 -179.127 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 60.8 t -68.14 -50.08 61.6 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.788 0 C-N-CA 118.169 -1.413 . . . . 0.0 109.629 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.07 -47.93 80.82 Favored 'General case' 0 C--N 1.298 -1.647 0 O-C-N 121.337 -0.852 . . . . 0.0 110.11 -179.694 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -62.11 -35.9 80.11 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.706 -1.246 . . . . 0.0 110.399 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.3 tm-20 -60.43 -39.55 87.87 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.115 -0.991 . . . . 0.0 109.696 -179.042 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 73.9 mt -60.48 -40.36 84.05 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.391 0 O-C-N 120.718 -1.239 . . . . 0.0 109.165 179.698 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 90.8 t -63.43 -39.06 83.88 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.398 0 N-CA-C 108.601 -0.889 . . . . 0.0 108.601 178.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.83 -31.81 71.21 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.569 -0.707 . . . . 0.0 109.441 179.65 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 26.7 m -78.39 -24.72 46.15 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.204 -0.935 . . . . 0.0 109.406 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 43.4 t -82.64 102.2 11.31 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.285 -0.885 . . . . 0.0 109.124 179.463 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 81.7 m-20 -59.67 -30.41 68.74 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.513 -0.742 . . . . 0.0 110.514 -179.554 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 59.6 mttp -69.95 -41.28 74.75 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.94 -1.1 . . . . 0.0 110.886 -178.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 92.8 m -87.03 -19.21 28.98 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 120.912 -1.118 . . . . 0.0 110.192 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -74.27 -61.5 1.84 Allowed 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.182 -0.949 . . . . 0.0 110.929 -178.166 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 89.2 mt -82.18 61.62 5.52 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.078 -1.014 . . . . 0.0 110.097 -178.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.434 ' C ' ' H ' ' A' ' 48' ' ' GLU . 22.6 tptm -93.97 118.76 31.94 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.498 -0.751 . . . . 0.0 109.412 179.292 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 68.89 -9.55 1.93 Allowed Glycine 0 N--CA 1.493 2.44 0 N-CA-C 110.305 -1.118 . . . . 0.0 110.305 179.114 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.491 ' O ' ' HB2' ' A' ' 49' ' ' ALA . 71.4 mm-40 -84.54 132.22 34.55 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.176 -1.191 . . . . 0.0 109.553 -179.571 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.491 ' HB2' ' O ' ' A' ' 48' ' ' GLU . . . 176.71 143.49 0.08 Allowed 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.082 -1.011 . . . . 0.0 110.114 179.646 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.456 ' SD ' ' N ' ' A' ' 52' ' ' GLY . 0.9 OUTLIER -90.82 137.58 32.25 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.34 -0.85 . . . . 0.0 109.065 179.29 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.521 ' CG ' ' O ' ' A' ' 51' ' ' HIS . 46.4 p-80 -132.13 76.97 1.73 Allowed 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.441 -0.787 . . . . 0.0 109.158 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.456 ' N ' ' SD ' ' A' ' 50' ' ' MET . . . -72.42 -176.49 28.68 Favored Glycine 0 N--CA 1.492 2.37 0 N-CA-C 109.354 -1.498 . . . . 0.0 109.354 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.432 ' O ' ' O ' ' A' ' 54' ' ' VAL . 13.8 pt20 -85.35 133.73 34.12 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.131 -1.217 . . . . 0.0 109.126 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.432 ' O ' ' O ' ' A' ' 53' ' ' GLN . 10.5 t 57.55 161.18 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 O-C-N 121.42 -0.8 . . . . 0.0 109.322 -179.423 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.405 ' N ' HG12 ' A' ' 54' ' ' VAL . 46.6 t0 . . . . . 0 N--CA 1.493 1.691 0 CA-C-O 118.03 -0.986 . . . . 0.0 109.711 -179.413 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . 0.466 ' O ' HD12 ' B' ' 5' ' ' ILE . 62.4 m-85 . . . . . 0 N--CA 1.495 1.798 0 CA-C-O 121.284 0.564 . . . . 0.0 109.871 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 40.1 mt -74.72 -19.64 60.16 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.148 -0.97 . . . . 0.0 111.025 -178.597 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . 0.491 ' N ' ' OD1' ' B' ' 3' ' ' ASP . 27.7 p-10 -67.76 -62.17 1.54 Allowed 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.625 -1.297 . . . . 0.0 111.448 -178.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . 0.468 ' H ' ' CG ' ' B' ' 3' ' ' ASP . . . -62.82 -41.27 99.89 Favored Glycine 0 N--CA 1.494 2.545 0 N-CA-C 110.098 -1.201 . . . . 0.0 110.098 -179.092 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.466 HD12 ' O ' ' B' ' 1' ' ' PHE . 97.2 mt -59.43 -39.8 80.08 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.604 0 O-C-N 121.402 -1.058 . . . . 0.0 111.101 -179.309 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 61.1 t0 -56.93 -47.37 80.76 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.531 -1.356 . . . . 0.0 108.748 -179.701 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 6.9 tmtt? -68.73 -48.34 64.04 Favored 'General case' 0 C--N 1.3 -1.562 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 179.033 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.01 -34.56 75.02 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.284 -0.885 . . . . 0.0 110.019 179.707 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . 0.461 ' N ' ' O ' ' B' ' 5' ' ' ILE . 6.9 tt0 -57.93 -40.45 80.48 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.035 -1.041 . . . . 0.0 109.176 -179.643 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -60.21 -41.13 92.37 Favored 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 119.357 -0.937 . . . . 0.0 109.205 179.548 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 14.3 tm-20 -60.03 -40.99 91.23 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.163 -0.961 . . . . 0.0 109.024 179.562 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . 0.555 ' O ' ' N ' ' B' ' 16' ' ' HIS . 14.6 t60 -62.3 -43.46 98.77 Favored 'General case' 0 C--N 1.304 -1.398 0 C-N-CA 119.344 -0.942 . . . . 0.0 110.024 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -61.65 -43.34 99.05 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.187 -0.946 . . . . 0.0 110.411 -179.627 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 54.0 mtpt -62.31 -34.97 77.64 Favored 'General case' 0 C--N 1.296 -1.722 0 O-C-N 121.554 -0.716 . . . . 0.0 112.749 -178.12 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 -136.21 -3.29 2.21 Favored 'General case' 0 N--CA 1.505 2.323 0 O-C-N 120.975 -1.078 . . . . 0.0 112.684 -176.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.555 ' N ' ' O ' ' B' ' 12' ' ' HIS . 88.4 m-70 54.12 41.38 32.04 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.56 -1.338 . . . . 0.0 107.396 -177.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 84.1 p -60.65 158.2 13.04 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.499 -0.751 . . . . 0.0 110.585 -178.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -74.59 156.72 36.48 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 179.255 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 42.2 p-90 -58.18 -29.89 65.98 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.943 -1.098 . . . . 0.0 110.289 -179.619 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -62.88 -39.72 95.3 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.778 -1.201 . . . . 0.0 109.648 179.64 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.28 -48.92 60.32 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.494 -0.753 . . . . 0.0 109.468 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 78.1 mtm -60.45 -40.18 90.23 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.055 -1.028 . . . . 0.0 109.063 179.184 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.423 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -57.49 -49.62 75.71 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 119.432 -0.907 . . . . 0.0 108.991 -179.849 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 47.1 m -70.81 -32.61 69.73 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.46 -0.775 . . . . 0.0 110.399 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -61.22 -41.6 97.14 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.975 -1.078 . . . . 0.0 110.411 -178.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -111.5 1.99 17.2 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.533 -0.729 . . . . 0.0 110.579 -179.536 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.423 ' N ' ' O ' ' B' ' 23' ' ' ALA . 61.0 m-20 58.48 49.85 10.09 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.389 -0.82 . . . . 0.0 109.717 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 80.0 mt -114.47 150.89 44.59 Favored Pre-proline 0 N--CA 1.501 2.08 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 179.626 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_endo -61.29 160.49 26.77 Favored 'Trans proline' 0 N--CA 1.491 1.364 0 C-N-CA 121.713 1.609 . . . . 0.0 111.589 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_endo -55.06 -35.66 90.92 Favored 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.845 2.363 . . . . 0.0 112.536 -179.055 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 88.2 t -56.92 -47.45 83.17 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.749 0 O-C-N 120.936 -1.102 . . . . 0.0 109.377 -179.372 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 59.5 t -67.46 -50.89 57.67 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.867 0 C-N-CA 118.108 -1.437 . . . . 0.0 109.715 -179.661 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.45 -46.78 86.96 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.179 -0.95 . . . . 0.0 110.544 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -62.68 -36.71 83.8 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.783 -1.198 . . . . 0.0 110.344 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 13.5 tm-20 -59.79 -39.47 85.07 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.035 -1.041 . . . . 0.0 109.822 -178.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 77.0 mt -60.46 -40.37 84.02 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.471 0 O-C-N 120.812 -1.18 . . . . 0.0 109.167 179.709 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 90.8 t -63.62 -39.23 84.57 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.546 0 N-CA-C 108.55 -0.908 . . . . 0.0 108.55 179.108 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . 0.494 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -60.32 -31.95 70.77 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.273 -0.892 . . . . 0.0 109.286 179.576 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 31.5 m -78.06 -24.15 47.81 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.242 -0.911 . . . . 0.0 109.593 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 42.0 t -83.45 102.09 11.83 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.272 -0.893 . . . . 0.0 108.797 179.358 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -60.02 -29.24 68.37 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.452 -0.78 . . . . 0.0 110.349 -179.295 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 60.7 mttp -70.92 -40.66 71.98 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.911 -1.118 . . . . 0.0 110.807 -178.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 93.6 m -87.36 -19.13 28.59 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 120.839 -1.163 . . . . 0.0 109.906 179.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . 0.494 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 44.6 tt0 -73.99 -62.99 1.31 Allowed 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.101 -0.999 . . . . 0.0 111.008 -178.256 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 89.3 mt -81.09 62.51 5.08 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.118 -0.989 . . . . 0.0 109.955 -179.108 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . 0.405 ' C ' ' H ' ' B' ' 48' ' ' GLU . 23.1 tptm -95.1 117.53 30.36 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.477 -0.765 . . . . 0.0 109.12 179.45 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 69.29 -8.19 3.0 Favored Glycine 0 N--CA 1.491 2.316 0 N-CA-C 110.268 -1.133 . . . . 0.0 110.268 179.538 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . 0.465 ' O ' ' HB2' ' B' ' 49' ' ' ALA . 74.8 mm-40 -85.98 130.18 34.62 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.96 -1.318 . . . . 0.0 109.913 -179.416 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . 0.465 ' HB2' ' O ' ' B' ' 48' ' ' GLU . . . 178.09 146.04 0.13 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.994 -1.066 . . . . 0.0 110.281 179.779 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . 0.44 ' SD ' ' N ' ' B' ' 52' ' ' GLY . 0.9 OUTLIER -92.82 136.44 33.24 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.514 -0.741 . . . . 0.0 109.136 179.167 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 51' ' ' HIS . . . . . 0.521 ' O ' ' CG ' ' B' ' 51' ' ' HIS . 45.0 p-80 -130.97 77.08 1.76 Allowed 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.631 -0.668 . . . . 0.0 109.288 -179.81 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . 0.44 ' N ' ' SD ' ' B' ' 50' ' ' MET . . . -72.6 -175.79 27.99 Favored Glycine 0 N--CA 1.491 2.348 0 N-CA-C 109.379 -1.488 . . . . 0.0 109.379 -179.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . 0.434 ' O ' ' O ' ' B' ' 54' ' ' VAL . 13.3 pt20 -85.8 133.61 33.97 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.243 -1.151 . . . . 0.0 108.898 179.481 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.434 ' O ' ' O ' ' B' ' 53' ' ' GLN . 9.6 t 57.78 160.52 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 121.362 -0.837 . . . . 0.0 109.347 -179.55 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 51.0 t0 . . . . . 0 N--CA 1.495 1.805 0 CA-C-O 118.005 -0.998 . . . . 0.0 110.055 -179.265 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.499 ' O ' HD12 ' A' ' 5' ' ' ILE . 67.8 m-85 . . . . . 0 N--CA 1.493 1.693 0 CA-C-O 121.7 0.762 . . . . 0.0 109.987 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 41.6 mt -69.97 -35.83 74.74 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.411 -0.805 . . . . 0.0 111.049 -178.27 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -67.09 -54.2 23.73 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.026 -1.046 . . . . 0.0 110.805 -178.48 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.45 -46.18 94.35 Favored Glycine 0 N--CA 1.49 2.258 0 N-CA-C 109.783 -1.327 . . . . 0.0 109.783 -179.603 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.499 HD12 ' O ' ' A' ' 1' ' ' PHE . 85.7 mt -59.8 -39.86 81.02 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.443 0 O-C-N 121.622 -0.928 . . . . 0.0 110.005 -179.75 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -53.51 -44.8 69.38 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 120.971 -1.081 . . . . 0.0 109.351 -179.245 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -69.46 -42.16 75.27 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.126 -0.984 . . . . 0.0 109.424 179.275 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.46 -37.34 82.78 Favored 'General case' 0 C--N 1.3 -1.567 0 C-N-CA 120.066 -0.654 . . . . 0.0 109.294 179.671 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -56.32 -41.36 75.9 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.527 -0.733 . . . . 0.0 109.1 -179.239 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 27.4 tp10 -61.98 -40.27 95.05 Favored 'General case' 0 C--N 1.305 -1.33 0 C-N-CA 118.931 -1.107 . . . . 0.0 108.605 179.025 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 22.3 tp10 -61.34 -40.42 94.18 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.358 -0.839 . . . . 0.0 109.467 179.489 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.503 ' O ' ' N ' ' A' ' 16' ' ' HIS . 16.3 t60 -62.41 -45.5 92.84 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.243 -0.91 . . . . 0.0 109.666 179.798 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -60.22 -40.5 90.37 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.35 -0.844 . . . . 0.0 110.454 -179.251 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt -63.58 -39.85 95.45 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.522 -0.736 . . . . 0.0 112.884 -178.383 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -132.34 -0.16 3.66 Favored 'General case' 0 N--CA 1.507 2.419 0 O-C-N 121.031 -1.043 . . . . 0.0 112.562 -176.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.503 ' N ' ' O ' ' A' ' 12' ' ' HIS . 86.5 m-70 52.65 42.32 31.55 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.37 -1.456 . . . . 0.0 107.417 -177.832 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 79.5 p -62.99 153.86 32.46 Favored 'General case' 0 C--N 1.3 -1.564 0 C-N-CA 120.131 -0.628 . . . . 0.0 110.164 -178.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -74.15 161.17 30.26 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.428 -0.795 . . . . 0.0 109.127 179.593 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 39.4 p-90 -58.04 -30.26 66.02 Favored 'General case' 0 N--CA 1.49 1.545 0 C-N-CA 119.829 -0.748 . . . . 0.0 110.514 -179.285 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 84.4 mtm180 -63.89 -40.48 96.62 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.975 -1.078 . . . . 0.0 109.857 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.33 -48.23 62.05 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.439 -0.788 . . . . 0.0 109.521 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 74.5 mtm -61.55 -40.66 95.48 Favored 'General case' 0 C--N 1.297 -1.678 0 O-C-N 121.543 -0.723 . . . . 0.0 109.567 179.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.474 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -57.97 -48.03 81.21 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.151 -0.968 . . . . 0.0 109.082 179.795 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 8.6 t -69.72 -36.48 75.92 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.042 -1.036 . . . . 0.0 110.216 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 81.7 m-20 -60.04 -40.38 89.18 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.309 -0.869 . . . . 0.0 110.536 -179.176 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -111.51 3.17 17.85 Favored 'General case' 0 N--CA 1.503 2.206 0 O-C-N 121.315 -0.866 . . . . 0.0 110.077 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.474 ' N ' ' O ' ' A' ' 23' ' ' ALA . 48.9 m-20 55.74 48.08 19.09 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.517 -0.739 . . . . 0.0 109.923 179.453 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 80.4 mt -113.67 151.82 44.93 Favored Pre-proline 0 N--CA 1.5 2.041 0 O-C-N 121.185 -0.947 . . . . 0.0 108.966 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 28.2 Cg_endo -61.97 148.96 92.08 Favored 'Trans proline' 0 N--CA 1.491 1.356 0 C-N-CA 121.501 1.467 . . . . 0.0 111.638 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_exo -41.79 -38.28 4.5 Favored 'Trans proline' 0 C--N 1.312 -1.358 0 C-N-CA 122.16 1.907 . . . . 0.0 111.925 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 77.1 t -52.79 -51.54 35.41 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.705 0 O-C-N 121.366 -0.834 . . . . 0.0 110.367 -178.648 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.423 HG13 HD11 ' A' ' 5' ' ' ILE . 77.0 t -66.02 -47.34 85.44 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.013 0 C-N-CA 118.091 -1.444 . . . . 0.0 109.557 -179.029 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.49 -45.36 83.93 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.244 -0.91 . . . . 0.0 110.31 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 40.2 mtmt -63.3 -36.07 82.46 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 120.778 -1.201 . . . . 0.0 110.758 -179.741 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.2 tm-20 -60.51 -37.86 82.5 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 119.053 -1.059 . . . . 0.0 109.372 -179.112 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 62.8 mt -60.04 -39.91 81.69 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 120.859 -1.151 . . . . 0.0 108.632 179.267 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 92.3 t -63.39 -38.28 81.75 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 179.013 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.54 -32.18 70.09 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.698 -0.627 . . . . 0.0 109.364 179.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 59.3 m -79.53 -26.85 41.38 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.133 -0.98 . . . . 0.0 109.279 179.606 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 41.5 t -82.28 102.36 11.13 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.087 -1.008 . . . . 0.0 109.354 179.682 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -60.0 -31.45 69.94 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.518 -0.739 . . . . 0.0 110.427 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -69.23 -43.02 74.89 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.918 -1.114 . . . . 0.0 110.645 -178.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 98.9 m -84.96 -19.12 32.61 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.703 -1.248 . . . . 0.0 109.828 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -75.38 -69.82 0.46 Allowed 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.122 -0.986 . . . . 0.0 109.743 -179.414 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 32.0 mt -82.86 85.98 7.01 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 120.917 -1.114 . . . . 0.0 108.309 179.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 18.9 tptm -93.73 -17.49 23.12 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.323 -0.86 . . . . 0.0 109.452 -179.682 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 170.0 -14.38 0.06 OUTLIER Glycine 0 N--CA 1.485 1.942 0 N-CA-C 108.703 -1.759 . . . . 0.0 108.703 -179.277 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 79.4 tt0 -70.59 -3.57 18.85 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.263 -1.14 . . . . 0.0 108.073 179.281 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.776 ' HB1' ' H ' ' B' ' 50' ' ' MET . . . -58.91 156.58 11.23 Favored 'General case' 0 N--CA 1.491 1.607 0 CA-C-O 121.746 0.784 . . . . 0.0 109.725 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.764 ' H ' ' HB1' ' B' ' 49' ' ' ALA . 20.4 ttt -55.75 -30.9 62.0 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.439 -0.788 . . . . 0.0 110.038 -179.526 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.657 ' CG ' ' H ' ' A' ' 52' ' ' GLY . 26.4 t60 45.26 -161.8 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.102 -0.998 . . . . 0.0 109.45 179.796 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.657 ' H ' ' CG ' ' A' ' 51' ' ' HIS . . . -179.47 172.63 44.53 Favored Glycine 0 N--CA 1.492 2.388 0 C-N-CA 119.472 -1.347 . . . . 0.0 110.081 179.536 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -153.4 97.56 2.16 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.629 -0.924 . . . . 0.0 108.797 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.575 HG12 ' H ' ' A' ' 55' ' ' ASP . 1.9 t 48.52 -149.26 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.815 0 O-C-N 121.098 -1.001 . . . . 0.0 109.046 -179.574 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.575 ' H ' HG12 ' A' ' 54' ' ' VAL . 96.8 m-20 . . . . . 0 N--CA 1.495 1.788 0 O-C-N 120.867 -1.146 . . . . 0.0 109.692 -179.685 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . 0.467 ' O ' HD12 ' B' ' 5' ' ' ILE . 64.7 m-85 . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 121.694 0.759 . . . . 0.0 110.037 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 38.7 mt -70.85 -36.01 72.68 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.446 -0.784 . . . . 0.0 111.362 -177.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 51.0 t0 -66.93 -52.42 43.23 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.978 -1.076 . . . . 0.0 111.083 -178.583 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.6 -44.87 94.41 Favored Glycine 0 N--CA 1.49 2.246 0 N-CA-C 109.831 -1.308 . . . . 0.0 109.831 -179.418 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.467 HD12 ' O ' ' B' ' 1' ' ' PHE . 86.9 mt -60.14 -39.53 80.81 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.491 -1.005 . . . . 0.0 109.97 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 61.6 t0 -53.64 -45.12 70.08 Favored 'General case' 0 C--N 1.3 -1.579 0 C-N-CA 119.555 -0.858 . . . . 0.0 109.144 -179.058 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 62.1 mttp -69.48 -42.11 75.26 Favored 'General case' 0 C--N 1.301 -1.531 0 C-N-CA 119.306 -0.958 . . . . 0.0 109.223 179.333 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.61 -36.47 80.91 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.589 -0.694 . . . . 0.0 109.219 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . 0.406 ' N ' ' O ' ' B' ' 5' ' ' ILE . 58.3 tt0 -57.31 -41.51 80.04 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.468 -0.77 . . . . 0.0 109.169 -179.451 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 28.9 tp10 -61.87 -40.4 95.25 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.009 -1.057 . . . . 0.0 108.464 178.744 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 21.8 tp10 -61.79 -40.3 94.72 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.478 -0.764 . . . . 0.0 109.613 179.39 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . 0.542 ' O ' ' N ' ' B' ' 16' ' ' HIS . 15.8 t60 -62.22 -45.3 93.98 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.117 -0.989 . . . . 0.0 109.575 179.639 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -60.28 -42.13 94.79 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.482 -0.761 . . . . 0.0 110.291 -178.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -62.11 -37.55 85.53 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.488 -0.758 . . . . 0.0 112.945 -178.579 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -134.32 -1.32 2.89 Favored 'General case' 0 N--CA 1.505 2.275 0 O-C-N 121.032 -1.043 . . . . 0.0 113.004 -176.692 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.542 ' N ' ' O ' ' B' ' 12' ' ' HIS . 88.0 m-70 53.43 41.18 32.14 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.443 -1.41 . . . . 0.0 107.524 -177.471 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 79.8 p -62.32 154.37 28.08 Favored 'General case' 0 C--N 1.304 -1.403 0 C-N-CA 119.974 -0.69 . . . . 0.0 110.145 -178.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -74.75 162.94 28.23 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.113 -0.992 . . . . 0.0 109.363 179.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 34.4 p-90 -59.29 -29.99 68.0 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.37 -0.831 . . . . 0.0 110.398 -179.479 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 85.1 mtm180 -64.33 -41.23 96.9 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 120.678 -1.264 . . . . 0.0 110.034 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.79 -48.97 62.31 Favored 'General case' 0 C--N 1.303 -1.433 0 C-N-CA 119.854 -0.738 . . . . 0.0 109.109 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 74.4 mtm -60.92 -42.12 97.5 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.347 -0.845 . . . . 0.0 109.502 179.666 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.465 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -56.72 -47.91 78.91 Favored 'General case' 0 C--N 1.299 -1.595 0 C-N-CA 119.376 -0.93 . . . . 0.0 109.062 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 8.4 t -69.69 -37.46 76.62 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.072 -1.018 . . . . 0.0 110.032 -179.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -59.01 -40.25 84.36 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.162 -0.961 . . . . 0.0 110.286 -178.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -111.08 2.34 17.86 Favored 'General case' 0 N--CA 1.504 2.273 0 O-C-N 121.326 -0.859 . . . . 0.0 110.352 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.465 ' N ' ' O ' ' B' ' 23' ' ' ALA . 51.4 m-20 56.07 48.91 16.68 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.405 -0.809 . . . . 0.0 109.917 179.743 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 79.7 mt -115.13 152.27 46.52 Favored Pre-proline 0 N--CA 1.501 2.082 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_endo -61.54 150.48 85.16 Favored 'Trans proline' 0 N--CA 1.494 1.512 0 C-N-CA 121.651 1.568 . . . . 0.0 111.717 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -42.8 -39.3 7.35 Favored 'Trans proline' 0 N--CA 1.488 1.167 0 C-N-CA 121.992 1.795 . . . . 0.0 111.867 179.422 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 70.4 t -51.93 -51.26 30.0 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 121.197 -0.94 . . . . 0.0 110.666 -178.56 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 63.7 t -66.74 -45.91 86.93 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.953 0 C-N-CA 118.314 -1.355 . . . . 0.0 109.455 -179.207 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.07 -46.18 78.64 Favored 'General case' 0 C--N 1.299 -1.587 0 C-N-CA 119.774 -0.771 . . . . 0.0 110.119 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 41.0 mtmt -63.24 -36.1 82.54 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 120.57 -1.331 . . . . 0.0 110.89 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -60.35 -38.44 83.8 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 120.763 -1.21 . . . . 0.0 109.592 -178.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 68.3 mt -59.71 -40.19 81.72 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.344 0 C-N-CA 118.908 -1.117 . . . . 0.0 108.209 179.375 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 95.9 t -63.02 -38.03 80.92 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.852 0 O-C-N 121.342 -0.849 . . . . 0.0 108.847 179.039 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . 0.545 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -59.62 -31.98 70.0 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 179.685 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 49.5 m -79.47 -27.99 41.57 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.232 -0.918 . . . . 0.0 109.287 179.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 40.8 t -82.08 101.19 10.22 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.318 -0.864 . . . . 0.0 109.1 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -59.57 -31.56 69.55 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.29 -0.881 . . . . 0.0 110.466 -179.425 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -68.56 -41.13 80.2 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.714 -1.241 . . . . 0.0 110.874 -178.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 97.2 m -86.75 -19.56 28.93 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.938 -1.101 . . . . 0.0 109.535 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . 0.545 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 7.2 tt0 -74.92 -69.1 0.49 Allowed 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.22 -0.925 . . . . 0.0 109.582 -179.509 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 29.1 mt -83.03 86.35 7.01 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.946 -1.096 . . . . 0.0 108.408 179.316 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 19.1 tptm -95.25 -16.33 22.55 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.298 -0.877 . . . . 0.0 109.587 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 169.24 -13.11 0.06 OUTLIER Glycine 0 N--CA 1.488 2.165 0 N-CA-C 109.056 -1.618 . . . . 0.0 109.056 -179.382 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 78.5 tt0 -72.7 -4.45 31.29 Favored 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 179.566 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . 0.764 ' HB1' ' H ' ' A' ' 50' ' ' MET . . . -57.96 158.05 7.09 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.435 -0.791 . . . . 0.0 109.635 179.727 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . 0.776 ' H ' ' HB1' ' A' ' 49' ' ' ALA . 19.5 ttt -56.89 -31.07 64.49 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.723 -0.61 . . . . 0.0 110.179 -179.526 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 51' ' ' HIS . . . . . 0.647 ' CG ' ' H ' ' B' ' 52' ' ' GLY . 22.6 t60 46.56 -161.22 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.332 -0.855 . . . . 0.0 109.523 -179.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . 0.647 ' H ' ' CG ' ' B' ' 51' ' ' HIS . . . 179.55 168.91 39.17 Favored Glycine 0 N--CA 1.487 2.066 0 N-CA-C 109.865 -1.294 . . . . 0.0 109.865 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -151.22 97.73 2.46 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.426 -1.044 . . . . 0.0 108.498 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.583 HG12 ' H ' ' B' ' 55' ' ' ASP . 1.9 t 48.51 -148.71 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.817 0 O-C-N 121.197 -0.939 . . . . 0.0 108.925 -179.655 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.583 ' H ' HG12 ' B' ' 54' ' ' VAL . 93.2 m-20 . . . . . 0 N--CA 1.489 1.495 0 CA-C-O 117.945 -1.026 . . . . 0.0 108.988 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.501 ' O ' HD12 ' A' ' 5' ' ' ILE . 91.2 m-85 . . . . . 0 N--CA 1.493 1.678 0 CA-C-O 121.462 0.649 . . . . 0.0 109.726 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 16.7 mt -71.8 -33.62 68.71 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.446 -0.783 . . . . 0.0 111.658 -178.037 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.507 ' N ' ' OD1' ' A' ' 3' ' ' ASP . 18.8 p-10 -68.94 -57.72 5.11 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 120.935 -1.103 . . . . 0.0 111.873 -178.183 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.418 ' H ' ' CG ' ' A' ' 3' ' ' ASP . . . -63.28 -44.4 97.04 Favored Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.68 -1.368 . . . . 0.0 109.68 -178.776 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.501 HD12 ' O ' ' A' ' 1' ' ' PHE . 82.8 mt -58.93 -40.13 79.58 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.586 0 O-C-N 121.154 -1.203 . . . . 0.0 109.957 -179.514 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -55.39 -44.02 75.73 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 120.609 -1.307 . . . . 0.0 108.975 -179.423 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -70.26 -47.46 61.21 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.308 -0.87 . . . . 0.0 109.14 178.687 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.27 -34.34 77.88 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.292 -0.88 . . . . 0.0 109.659 179.638 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -56.93 -40.49 76.47 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.326 -0.859 . . . . 0.0 109.424 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -61.72 -41.25 97.37 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.174 -0.954 . . . . 0.0 108.947 179.433 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.4 tm-20 -60.45 -41.84 94.93 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.517 -0.739 . . . . 0.0 109.764 179.684 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.533 ' O ' ' N ' ' A' ' 16' ' ' HIS . 17.4 t60 -60.25 -40.82 91.65 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.19 -0.944 . . . . 0.0 109.449 -179.722 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -61.74 -45.68 92.91 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.664 -0.647 . . . . 0.0 110.637 -179.023 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 33.8 mtmm -62.39 -39.81 94.43 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.185 -0.947 . . . . 0.0 112.458 -178.328 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 49.3 m-85 -126.58 -4.6 6.53 Favored 'General case' 0 N--CA 1.506 2.37 0 O-C-N 120.952 -1.093 . . . . 0.0 113.073 -176.345 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.533 ' N ' ' O ' ' A' ' 12' ' ' HIS . 92.8 m-70 51.78 40.39 27.57 Favored 'General case' 0 N--CA 1.497 1.879 0 N-CA-C 106.777 -1.564 . . . . 0.0 106.777 -176.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 95.4 p -61.36 155.92 20.28 Favored 'General case' 0 C--N 1.303 -1.451 0 CA-C-O 121.438 0.637 . . . . 0.0 110.594 -177.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -73.75 160.79 31.0 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.587 -0.696 . . . . 0.0 109.209 179.691 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 38.6 p-90 -57.98 -30.29 65.92 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.053 -1.029 . . . . 0.0 110.416 -179.435 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 58.0 mtp180 -63.47 -39.9 95.67 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.044 -1.035 . . . . 0.0 109.674 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.15 -49.08 60.04 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.256 -0.902 . . . . 0.0 108.612 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 77.2 mtm -60.08 -40.74 90.61 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.448 -0.782 . . . . 0.0 109.859 179.416 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.504 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -59.63 -48.8 80.25 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.248 -0.908 . . . . 0.0 108.896 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 40.7 t -68.51 -36.47 78.94 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.405 -0.809 . . . . 0.0 110.342 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -60.49 -39.98 89.67 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.211 -0.931 . . . . 0.0 110.546 -178.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -111.85 0.16 16.06 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.48 -0.763 . . . . 0.0 109.619 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.504 ' N ' ' O ' ' A' ' 23' ' ' ALA . 38.0 t-20 58.49 50.44 9.26 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.39 -0.819 . . . . 0.0 109.848 179.151 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 76.0 mt -119.56 152.38 53.04 Favored Pre-proline 0 N--CA 1.5 2.061 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -59.99 163.1 14.67 Favored 'Trans proline' 0 C--N 1.314 -1.27 0 C-N-CA 121.465 1.443 . . . . 0.0 111.347 179.618 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -57.14 -33.38 95.76 Favored 'Trans proline' 0 C--N 1.306 -1.678 0 C-N-CA 122.761 2.307 . . . . 0.0 111.354 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.538 HG11 HD11 ' B' ' 5' ' ' ILE . 60.5 t -53.39 -50.53 47.8 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.72 0 O-C-N 120.816 -1.177 . . . . 0.0 109.472 -179.1 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 61.0 t -67.94 -49.57 67.38 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.73 0 C-N-CA 119.009 -1.077 . . . . 0.0 109.208 -179.466 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.11 -44.72 91.4 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.239 -0.913 . . . . 0.0 110.461 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.489 ' NZ ' ' OE2' ' B' ' 35' ' ' GLU . 8.0 mtmp? -63.16 -35.76 81.35 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.565 -1.335 . . . . 0.0 110.319 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.9 tm-20 -60.03 -39.89 87.44 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 120.996 -1.065 . . . . 0.0 110.342 -179.214 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 54.5 mt -60.55 -40.33 84.12 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.381 0 O-C-N 120.864 -1.148 . . . . 0.0 109.099 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 65.2 t -63.96 -38.78 83.29 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.487 0 O-C-N 121.052 -1.03 . . . . 0.0 108.603 179.345 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.73 -32.09 70.23 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.438 -0.789 . . . . 0.0 110.029 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.8 m -78.27 -21.6 49.57 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.186 -0.946 . . . . 0.0 110.049 -178.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 45.4 t -83.82 105.03 14.4 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.045 -1.034 . . . . 0.0 109.464 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -61.24 -30.78 70.65 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.355 -0.841 . . . . 0.0 110.539 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -69.14 -40.0 78.52 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.87 -1.143 . . . . 0.0 111.139 -178.607 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 66.6 m -84.39 -29.79 25.92 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.113 -0.992 . . . . 0.0 109.688 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -72.35 -54.32 9.8 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.162 -0.961 . . . . 0.0 111.143 -178.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 88.4 mt -83.95 23.74 0.99 Allowed 'General case' 0 C--N 1.297 -1.702 0 O-C-N 121.254 -0.904 . . . . 0.0 110.46 -177.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 59.6 tttm -79.98 137.61 36.88 Favored 'General case' 0 C--N 1.296 -1.733 0 O-C-N 121.486 -0.759 . . . . 0.0 109.139 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 104.02 -169.85 18.21 Favored Glycine 0 N--CA 1.496 2.688 0 N-CA-C 109.32 -1.512 . . . . 0.0 109.32 -179.491 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -84.8 134.11 34.32 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.267 -1.137 . . . . 0.0 110.045 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -107.45 -105.22 0.34 Allowed 'General case' 0 N--CA 1.502 2.158 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 179.227 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 18.2 ttt -103.25 125.7 50.04 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.534 -0.729 . . . . 0.0 109.764 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 32.9 p-80 -134.37 25.4 3.8 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 120.948 -1.095 . . . . 0.0 109.109 178.675 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -76.03 -156.67 6.54 Favored Glycine 0 N--CA 1.491 2.335 0 N-CA-C 109.54 -1.424 . . . . 0.0 109.54 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 54.73 61.3 3.04 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.302 -1.117 . . . . 0.0 109.879 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.515 HG12 ' H ' ' A' ' 55' ' ' ASP . 4.0 t 60.58 171.23 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 121.428 -0.795 . . . . 0.0 108.902 -179.483 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.515 ' H ' HG12 ' A' ' 54' ' ' VAL . 97.8 m-20 . . . . . 0 N--CA 1.485 1.309 0 CA-C-O 117.738 -1.125 . . . . 0.0 109.356 -179.707 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . 0.48 ' O ' HD12 ' B' ' 5' ' ' ILE . 92.4 m-85 . . . . . 0 N--CA 1.49 1.573 0 CA-C-O 121.35 0.595 . . . . 0.0 109.636 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 14.6 mt -70.69 -34.73 72.28 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.517 -0.739 . . . . 0.0 111.557 -178.126 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . 0.535 ' N ' ' OD1' ' B' ' 3' ' ' ASP . 15.6 p-10 -66.3 -59.45 3.71 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.05 -1.031 . . . . 0.0 111.687 -177.825 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.84 -43.56 97.44 Favored Glycine 0 N--CA 1.492 2.367 0 C-N-CA 119.785 -1.198 . . . . 0.0 110.13 -178.511 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.538 HD11 HG11 ' A' ' 31' ' ' VAL . 85.1 mt -59.07 -39.64 78.92 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.533 0 O-C-N 121.084 -1.244 . . . . 0.0 109.919 -179.408 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -55.34 -44.01 75.52 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.738 -1.226 . . . . 0.0 108.648 -179.721 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -70.81 -46.88 62.03 Favored 'General case' 0 C--N 1.298 -1.674 0 O-C-N 120.914 -1.116 . . . . 0.0 109.418 178.698 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.45 -34.03 77.26 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.416 -0.802 . . . . 0.0 109.469 179.544 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . 0.433 ' N ' ' O ' ' B' ' 5' ' ' ILE . 58.1 tt0 -57.16 -40.12 76.62 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.248 -0.907 . . . . 0.0 109.359 179.448 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -62.56 -40.98 98.56 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.107 -0.996 . . . . 0.0 108.875 179.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 14.5 tm-20 -60.9 -41.67 96.52 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.525 -0.734 . . . . 0.0 109.945 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . 0.565 ' O ' ' N ' ' B' ' 16' ' ' HIS . 18.8 t60 -60.41 -40.41 90.9 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.893 -1.13 . . . . 0.0 109.205 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -61.22 -46.7 89.34 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.618 -0.676 . . . . 0.0 110.536 -178.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 33.6 mtmm -61.16 -40.26 93.21 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.466 -0.772 . . . . 0.0 112.785 -178.629 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 -127.16 -4.06 6.24 Favored 'General case' 0 N--CA 1.503 2.19 0 O-C-N 121.161 -0.962 . . . . 0.0 113.264 -175.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.565 ' N ' ' O ' ' B' ' 12' ' ' HIS . 92.2 m-70 51.68 39.93 26.28 Favored 'General case' 0 N--CA 1.5 2.037 0 N-CA-C 106.998 -1.482 . . . . 0.0 106.998 -177.366 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 88.9 p -61.76 154.37 25.84 Favored 'General case' 0 C--N 1.3 -1.587 0 CA-C-O 121.681 0.753 . . . . 0.0 110.755 -177.708 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -72.36 159.63 33.7 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.463 -0.773 . . . . 0.0 109.233 179.678 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 34.7 p-90 -56.73 -30.39 63.48 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.327 -0.858 . . . . 0.0 111.015 -179.281 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 54.3 mtp180 -63.53 -40.46 97.08 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.72 -1.237 . . . . 0.0 109.703 179.666 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.9 -48.76 65.14 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.212 -0.93 . . . . 0.0 108.756 -179.637 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 76.9 mtm -61.04 -42.24 98.09 Favored 'General case' 0 N--CA 1.49 1.553 0 C-N-CA 119.942 -0.703 . . . . 0.0 109.622 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.509 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -58.3 -46.38 86.22 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.216 -0.927 . . . . 0.0 109.065 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 41.9 t -69.91 -37.49 75.97 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.56 -0.712 . . . . 0.0 110.578 179.562 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -60.04 -39.98 87.82 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.137 -0.977 . . . . 0.0 110.215 -178.687 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -111.43 -0.53 16.24 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.545 -0.722 . . . . 0.0 109.955 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.509 ' N ' ' O ' ' B' ' 23' ' ' ALA . 33.7 t-20 58.64 49.78 9.86 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.049 -1.032 . . . . 0.0 110.11 179.188 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 68.9 mt -118.89 152.75 52.09 Favored Pre-proline 0 N--CA 1.497 1.9 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 179.636 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -59.81 163.02 14.36 Favored 'Trans proline' 0 N--CA 1.491 1.343 0 C-N-CA 121.481 1.454 . . . . 0.0 111.356 179.545 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -57.54 -30.79 89.66 Favored 'Trans proline' 0 C--N 1.304 -1.765 0 C-N-CA 122.722 2.281 . . . . 0.0 111.645 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.453 HG11 HD11 ' A' ' 5' ' ' ILE . 60.4 t -56.04 -49.61 74.59 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.78 0 O-C-N 120.846 -1.158 . . . . 0.0 109.024 -179.18 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 57.8 t -68.16 -49.29 68.76 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.523 0 C-N-CA 118.875 -1.13 . . . . 0.0 109.317 -179.468 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.39 -44.99 89.61 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.365 -0.835 . . . . 0.0 110.436 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 7.9 mtmp? -63.16 -34.69 78.18 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.61 -1.306 . . . . 0.0 110.327 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . 0.489 ' OE2' ' NZ ' ' A' ' 34' ' ' LYS . 15.6 tm-20 -60.27 -39.83 88.22 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.115 -0.991 . . . . 0.0 109.913 -179.267 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 60.5 mt -60.7 -39.9 83.1 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.456 0 O-C-N 120.773 -1.204 . . . . 0.0 109.389 179.694 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 67.7 t -64.9 -38.42 82.72 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 O-C-N 121.164 -0.96 . . . . 0.0 108.794 179.562 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . 0.512 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -60.48 -32.17 71.17 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.35 -0.844 . . . . 0.0 109.907 179.761 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 15.1 m -77.94 -23.79 48.45 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.245 -0.909 . . . . 0.0 110.011 -178.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 46.6 t -81.86 103.89 11.84 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.207 -0.933 . . . . 0.0 109.642 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -60.46 -30.71 69.85 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.019 -1.051 . . . . 0.0 110.531 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -69.03 -39.51 79.17 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 120.823 -1.173 . . . . 0.0 110.864 -178.724 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 65.3 m -84.52 -28.72 26.5 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.915 -1.115 . . . . 0.0 109.915 -179.729 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . 0.512 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 19.8 tt0 -73.27 -52.9 12.28 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.069 -1.019 . . . . 0.0 111.491 -178.729 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 89.5 mt -85.02 22.57 1.38 Allowed 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.394 -0.816 . . . . 0.0 110.271 -177.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 58.8 tttm -78.5 138.64 38.53 Favored 'General case' 0 C--N 1.297 -1.68 0 O-C-N 121.45 -0.781 . . . . 0.0 109.234 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 102.07 -173.37 23.3 Favored Glycine 0 N--CA 1.493 2.497 0 N-CA-C 108.774 -1.73 . . . . 0.0 108.774 -179.295 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -81.65 135.85 35.53 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.109 -1.23 . . . . 0.0 110.21 -179.721 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -109.14 -105.93 0.35 Allowed 'General case' 0 N--CA 1.502 2.13 0 O-C-N 121.209 -0.932 . . . . 0.0 109.057 178.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 17.4 ttt -102.23 125.8 49.04 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.217 -0.927 . . . . 0.0 109.399 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 33.9 p-80 -134.86 22.78 3.58 Favored 'General case' 0 N--CA 1.503 2.225 0 O-C-N 121.093 -1.004 . . . . 0.0 109.537 178.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -73.89 -154.81 3.47 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.642 -1.383 . . . . 0.0 109.642 179.709 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 53.24 60.16 3.93 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.203 -1.175 . . . . 0.0 109.398 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.481 HG12 ' H ' ' B' ' 55' ' ' ASP . 3.9 t 60.92 170.01 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 O-C-N 121.226 -0.921 . . . . 0.0 109.317 -179.618 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.481 ' H ' HG12 ' B' ' 54' ' ' VAL . 98.3 m-20 . . . . . 0 N--CA 1.489 1.511 0 CA-C-O 117.868 -1.063 . . . . 0.0 109.652 -179.398 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 . . . . . 0 N--CA 1.487 1.4 0 CA-C-O 121.551 0.691 . . . . 0.0 109.377 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 15.5 mt -71.88 -39.86 69.34 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.57 -0.706 . . . . 0.0 110.808 -178.715 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -65.95 -43.89 86.64 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.222 -0.924 . . . . 0.0 111.307 -178.487 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.77 -46.99 42.67 Favored Glycine 0 N--CA 1.491 2.35 0 N-CA-C 109.215 -1.554 . . . . 0.0 109.215 -179.495 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.614 HD11 HG11 ' B' ' 31' ' ' VAL . 81.9 mt -59.96 -37.56 72.8 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.679 0 O-C-N 121.411 -1.052 . . . . 0.0 109.744 179.876 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 50.6 t0 -55.44 -47.13 76.48 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 120.852 -1.155 . . . . 0.0 108.709 -179.44 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -68.06 -45.07 74.88 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.236 -0.915 . . . . 0.0 109.53 179.076 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.83 -36.26 81.94 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.521 -0.737 . . . . 0.0 109.828 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -58.08 -39.84 79.55 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.244 -0.91 . . . . 0.0 109.108 -179.735 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -60.87 -43.81 97.89 Favored 'General case' 0 C--N 1.303 -1.454 0 C-N-CA 119.273 -0.971 . . . . 0.0 108.7 179.164 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.5 tm-20 -61.13 -40.65 94.59 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.309 -0.869 . . . . 0.0 108.899 179.022 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.525 ' O ' ' N ' ' A' ' 16' ' ' HIS . 14.0 t60 -60.49 -44.76 95.62 Favored 'General case' 0 C--N 1.305 -1.334 0 O-C-N 121.246 -0.909 . . . . 0.0 109.595 179.488 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -60.63 -44.89 95.84 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.212 -0.93 . . . . 0.0 110.725 -179.343 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt -60.28 -37.46 80.55 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.388 -0.82 . . . . 0.0 112.557 -178.416 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -133.68 -4.78 2.88 Favored 'General case' 0 N--CA 1.506 2.368 0 O-C-N 120.829 -1.169 . . . . 0.0 113.119 -176.376 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.525 ' N ' ' O ' ' A' ' 12' ' ' HIS . 91.6 m-70 54.72 41.12 32.16 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 120.482 -1.386 . . . . 0.0 107.458 -177.527 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 93.6 p -62.83 156.74 23.21 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.699 -0.626 . . . . 0.0 110.634 -178.441 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 70.4 m-20 -72.95 158.61 35.13 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.47 -0.769 . . . . 0.0 109.354 179.893 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 33.2 p-90 -56.85 -29.89 63.29 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.025 -1.047 . . . . 0.0 110.597 -179.614 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.416 HH11 ' HG2' ' A' ' 20' ' ' ARG . 60.2 mtt-85 -62.48 -39.88 94.87 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 120.99 -1.069 . . . . 0.0 109.637 179.336 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.77 -48.63 63.19 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.138 -0.976 . . . . 0.0 109.477 -179.742 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 77.3 mtm -61.28 -39.88 92.07 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.092 -1.005 . . . . 0.0 109.586 179.607 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.464 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -58.29 -47.6 83.13 Favored 'General case' 0 N--CA 1.488 1.475 0 C-N-CA 119.573 -0.851 . . . . 0.0 109.044 179.877 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 39.2 t -70.37 -37.06 74.51 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.174 -0.954 . . . . 0.0 110.577 179.681 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -60.3 -39.99 88.91 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.131 -0.981 . . . . 0.0 110.655 -178.633 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -111.25 -0.43 16.44 Favored 'General case' 0 N--CA 1.504 2.238 0 O-C-N 121.406 -0.809 . . . . 0.0 110.195 -179.747 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.464 ' N ' ' O ' ' A' ' 23' ' ' ALA . 6.8 m-20 57.42 50.08 11.91 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.517 -0.74 . . . . 0.0 109.511 179.741 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 79.2 mt -114.04 152.41 45.75 Favored Pre-proline 0 N--CA 1.496 1.86 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 179.483 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_endo -58.43 159.68 18.98 Favored 'Trans proline' 0 C--N 1.315 -1.211 0 C-N-CA 121.448 1.432 . . . . 0.0 110.606 179.386 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_endo -55.69 -31.03 78.21 Favored 'Trans proline' 0 C--N 1.298 -2.105 0 C-N-CA 122.46 2.107 . . . . 0.0 112.29 -179.79 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.651 HG11 HD11 ' B' ' 5' ' ' ILE . 93.6 t -58.57 -48.42 85.62 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.603 0 O-C-N 121.337 -0.852 . . . . 0.0 110.384 -178.782 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 63.3 t -66.36 -47.56 83.71 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.966 0 C-N-CA 118.65 -1.22 . . . . 0.0 109.484 -178.619 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.96 -47.99 72.78 Favored 'General case' 0 C--N 1.298 -1.659 0 C-N-CA 119.569 -0.852 . . . . 0.0 110.143 179.919 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 53.1 mtpt -61.12 -34.5 75.07 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 120.762 -1.211 . . . . 0.0 110.559 -179.704 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.6 tm-20 -62.23 -38.7 90.24 Favored 'General case' 0 C--N 1.307 -1.267 0 O-C-N 120.938 -1.101 . . . . 0.0 109.931 -179.124 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 79.2 mt -59.75 -40.39 82.35 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 O-C-N 120.948 -1.095 . . . . 0.0 108.957 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 97.6 t -61.52 -38.44 80.16 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.608 0 O-C-N 121.31 -0.869 . . . . 0.0 109.112 178.774 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.33 -31.92 70.75 Favored 'General case' 0 C--N 1.307 -1.276 0 O-C-N 121.437 -0.789 . . . . 0.0 109.172 179.634 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 22.8 m -78.64 -28.5 45.48 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.476 -0.765 . . . . 0.0 110.372 -179.218 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 46.8 t -81.82 102.46 10.84 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.356 -0.84 . . . . 0.0 109.538 -179.777 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -60.06 -30.88 69.49 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.234 -0.916 . . . . 0.0 110.315 -179.165 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 57.1 mtpt -69.94 -40.12 75.66 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.083 -1.011 . . . . 0.0 110.703 -178.501 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 66.9 m -85.48 -18.27 34.04 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.851 -1.156 . . . . 0.0 109.336 179.349 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 30.6 tt0 -74.99 -71.47 0.35 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.129 -0.982 . . . . 0.0 109.085 -179.411 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 54.2 mt -82.86 112.67 19.88 Favored 'General case' 0 N--CA 1.492 1.638 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 179.265 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.415 ' NZ ' ' CB ' ' A' ' 46' ' ' LYS . 2.9 ttmp? -91.99 132.15 36.74 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.867 -1.146 . . . . 0.0 109.765 -179.487 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 76.27 -173.7 53.88 Favored Glycine 0 N--CA 1.491 2.343 0 N-CA-C 109.84 -1.304 . . . . 0.0 109.84 179.607 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -89.99 148.65 22.95 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.298 -1.119 . . . . 0.0 108.965 179.677 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.49 ' O ' ' O ' ' B' ' 49' ' ' ALA . . . -91.54 -29.9 16.71 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.019 -1.05 . . . . 0.0 110.741 -179.089 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 22.7 ptp -96.25 148.67 22.49 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 120.971 -1.081 . . . . 0.0 110.429 -179.505 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 40.0 p-80 -65.93 166.6 11.05 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.494 -0.754 . . . . 0.0 109.436 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -130.51 -19.65 1.32 Allowed Glycine 0 N--CA 1.499 2.853 0 N-CA-C 109.713 -1.355 . . . . 0.0 109.713 -179.936 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -65.81 151.99 45.4 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.192 -1.181 . . . . 0.0 109.702 -179.634 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.502 HG12 ' H ' ' A' ' 55' ' ' ASP . 1.5 t 49.88 -147.35 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.862 0 O-C-N 121.396 -0.815 . . . . 0.0 109.608 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.502 ' H ' HG12 ' A' ' 54' ' ' VAL . 92.1 m-20 . . . . . 0 N--CA 1.492 1.635 0 CA-C-O 118.112 -0.947 . . . . 0.0 109.659 -179.763 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 . . . . . 0 N--CA 1.495 1.815 0 CA-C-O 121.769 0.795 . . . . 0.0 109.72 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 15.1 mt -71.93 -39.82 69.19 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.5 -0.75 . . . . 0.0 110.693 -178.77 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -66.32 -43.5 86.0 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.094 -1.004 . . . . 0.0 111.71 -178.516 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.82 -46.78 43.56 Favored Glycine 0 N--CA 1.492 2.406 0 N-CA-C 109.242 -1.543 . . . . 0.0 109.242 -179.517 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.651 HD11 HG11 ' A' ' 31' ' ' VAL . 83.7 mt -59.85 -38.02 74.38 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.636 0 O-C-N 121.461 -1.023 . . . . 0.0 109.751 179.712 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -54.83 -47.07 74.58 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 120.879 -1.138 . . . . 0.0 108.695 -179.685 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -68.58 -44.94 73.32 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.162 -0.961 . . . . 0.0 109.645 179.236 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.27 -35.75 80.15 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.507 -0.746 . . . . 0.0 109.661 -179.961 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . 0.422 ' N ' ' O ' ' B' ' 5' ' ' ILE . 61.8 tt0 -58.17 -40.73 82.18 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.079 -1.013 . . . . 0.0 108.584 -179.577 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -59.79 -43.89 94.19 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 119.134 -1.026 . . . . 0.0 108.866 179.24 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 12.9 tm-20 -61.14 -40.18 92.85 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.069 -1.019 . . . . 0.0 108.934 179.102 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . 0.535 ' O ' ' N ' ' B' ' 16' ' ' HIS . 14.6 t60 -61.04 -44.8 96.86 Favored 'General case' 0 N--CA 1.485 1.276 0 O-C-N 121.149 -0.97 . . . . 0.0 109.744 -179.905 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -60.72 -44.48 96.56 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.311 -0.868 . . . . 0.0 110.751 -179.321 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt -60.29 -38.43 83.58 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.311 -0.868 . . . . 0.0 112.668 -178.747 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 51.9 m-85 -132.33 -5.58 3.38 Favored 'General case' 0 N--CA 1.506 2.357 0 O-C-N 120.895 -1.128 . . . . 0.0 113.196 -176.185 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.535 ' N ' ' O ' ' B' ' 12' ' ' HIS . 91.5 m-70 54.94 40.47 32.02 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.508 -1.37 . . . . 0.0 107.366 -177.417 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 97.4 p -62.49 157.52 20.09 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.694 -0.629 . . . . 0.0 110.561 -178.78 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 72.2 m-20 -73.71 159.29 33.21 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.366 -0.834 . . . . 0.0 109.348 179.455 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 32.2 p-90 -57.51 -29.83 64.63 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.272 -0.893 . . . . 0.0 110.165 -179.209 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . 0.424 HH11 ' HG2' ' B' ' 20' ' ' ARG . 59.4 mtt-85 -62.25 -40.06 94.94 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.929 -1.107 . . . . 0.0 109.566 179.44 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.02 -48.73 62.23 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.232 -0.917 . . . . 0.0 109.428 -179.322 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 77.8 mtm -60.9 -39.97 91.35 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.354 -0.841 . . . . 0.0 109.574 179.358 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.472 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -58.32 -47.98 81.98 Favored 'General case' 0 C--N 1.303 -1.425 0 C-N-CA 119.529 -0.869 . . . . 0.0 109.401 179.895 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 38.1 t -70.55 -36.57 73.73 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.278 -0.888 . . . . 0.0 110.146 179.725 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -60.49 -39.87 89.27 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.047 -1.033 . . . . 0.0 110.744 -178.679 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -111.11 -1.42 16.23 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.491 -0.756 . . . . 0.0 110.177 -179.773 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.472 ' N ' ' O ' ' B' ' 23' ' ' ALA . 5.8 m-20 58.32 50.01 10.2 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.233 -0.917 . . . . 0.0 109.914 -179.961 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 81.3 mt -114.51 152.29 46.02 Favored Pre-proline 0 N--CA 1.5 2.029 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 179.68 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_endo -58.56 159.21 20.81 Favored 'Trans proline' 0 C--N 1.316 -1.183 0 C-N-CA 121.166 1.244 . . . . 0.0 110.627 179.215 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_endo -55.01 -31.76 75.97 Favored 'Trans proline' 0 C--N 1.3 -1.989 0 C-N-CA 122.27 1.98 . . . . 0.0 112.554 -179.654 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.614 HG11 HD11 ' A' ' 5' ' ' ILE . 83.7 t -57.96 -48.38 84.23 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.573 0 O-C-N 121.266 -0.896 . . . . 0.0 110.341 -178.724 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 63.9 t -66.57 -47.21 84.19 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.925 0 C-N-CA 118.219 -1.393 . . . . 0.0 109.656 -178.799 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.85 -48.13 72.64 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 121.246 -0.909 . . . . 0.0 109.957 179.925 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 51.4 mtpt -60.96 -34.93 75.51 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 120.932 -1.105 . . . . 0.0 110.615 -179.496 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 14.6 tm-20 -61.75 -39.08 90.33 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.232 -0.918 . . . . 0.0 110.0 -179.029 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 83.6 mt -59.95 -39.59 80.58 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 121.086 -1.009 . . . . 0.0 109.191 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 94.9 t -61.97 -38.76 81.5 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.604 0 O-C-N 121.166 -0.959 . . . . 0.0 108.668 178.947 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . 0.482 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -59.89 -31.44 69.8 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.347 -0.845 . . . . 0.0 109.286 179.608 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 19.0 m -79.94 -27.2 39.85 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.378 -0.827 . . . . 0.0 110.181 -179.171 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 47.3 t -82.69 102.81 11.75 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.089 -1.007 . . . . 0.0 109.21 179.918 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -60.35 -30.06 69.3 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.275 -0.891 . . . . 0.0 110.408 -179.438 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 57.0 mtpt -70.3 -40.74 74.05 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.341 -0.849 . . . . 0.0 110.673 -178.896 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 68.2 m -85.44 -17.95 35.06 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.83 -1.169 . . . . 0.0 109.163 179.567 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . 0.482 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 27.6 tt0 -75.01 -71.63 0.34 Allowed 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.009 -1.057 . . . . 0.0 109.303 -179.497 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 56.2 mt -82.96 112.58 19.87 Favored 'General case' 0 C--N 1.298 -1.636 0 O-C-N 121.127 -0.983 . . . . 0.0 108.368 179.314 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . 0.406 ' CB ' ' NZ ' ' B' ' 46' ' ' LYS . 2.8 ttmp? -91.93 132.35 36.56 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.151 -0.968 . . . . 0.0 109.545 -179.404 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 76.41 -173.96 53.91 Favored Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.761 -1.335 . . . . 0.0 109.761 179.727 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . 0.418 ' H ' ' HG2' ' B' ' 48' ' ' GLU . 19.1 pt-20 -90.69 147.94 22.93 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.375 -1.074 . . . . 0.0 108.824 179.969 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . 0.49 ' O ' ' O ' ' A' ' 49' ' ' ALA . . . -91.19 -30.2 16.8 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.214 -0.929 . . . . 0.0 110.513 -178.894 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 22.6 ptp -95.96 149.75 21.21 Favored 'General case' 0 N--CA 1.503 2.186 0 O-C-N 121.019 -1.05 . . . . 0.0 110.516 -179.415 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 39.5 p-80 -67.21 165.43 16.12 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.382 -0.824 . . . . 0.0 109.508 179.636 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -129.62 -20.35 1.38 Allowed Glycine 0 N--CA 1.502 3.041 0 N-CA-C 109.436 -1.466 . . . . 0.0 109.436 -179.918 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -64.83 151.44 45.45 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.207 -1.172 . . . . 0.0 109.994 -179.906 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.499 HG12 ' H ' ' B' ' 55' ' ' ASP . 1.5 t 49.41 -148.33 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 O-C-N 121.239 -0.913 . . . . 0.0 109.135 -179.84 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.499 ' H ' HG12 ' B' ' 54' ' ' VAL . 96.3 m-20 . . . . . 0 N--CA 1.493 1.71 0 O-C-N 121.094 -1.004 . . . . 0.0 109.659 180.0 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.53 ' O ' HD12 ' A' ' 5' ' ' ILE . 66.8 m-85 . . . . . 0 N--CA 1.492 1.672 0 CA-C-O 121.518 0.675 . . . . 0.0 109.448 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 18.7 mt -72.51 -23.03 60.95 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.548 -0.72 . . . . 0.0 111.048 -178.716 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 55.3 t0 -68.07 -64.3 0.89 Allowed 'General case' 0 N--CA 1.497 1.916 0 O-C-N 120.834 -1.166 . . . . 0.0 111.358 -178.427 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.44 -40.87 99.63 Favored Glycine 0 N--CA 1.493 2.449 0 N-CA-C 109.853 -1.299 . . . . 0.0 109.853 -178.965 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.6 HD11 HG13 ' A' ' 32' ' ' VAL . 96.4 mt -59.59 -40.25 81.6 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.124 -1.221 . . . . 0.0 110.342 -179.748 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 58.2 t0 -55.37 -48.49 74.21 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 120.841 -1.162 . . . . 0.0 108.537 -179.972 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 30.5 ttmt -67.97 -43.31 79.29 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.172 -0.955 . . . . 0.0 109.192 178.907 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.58 -35.85 81.88 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.217 -0.927 . . . . 0.0 109.094 179.631 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 5' ' ' ILE . 0.9 OUTLIER -56.81 -40.9 76.83 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.273 -0.892 . . . . 0.0 109.221 -179.642 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 44.6 tp10 -60.36 -41.84 94.53 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.062 -1.024 . . . . 0.0 108.884 179.177 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.3 tm-20 -59.92 -41.54 91.94 Favored 'General case' 0 N--CA 1.491 1.585 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 179.241 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.565 ' O ' ' N ' ' A' ' 16' ' ' HIS . 14.9 t60 -60.68 -46.05 91.83 Favored 'General case' 0 C--N 1.303 -1.415 0 C-N-CA 119.766 -0.774 . . . . 0.0 109.392 179.722 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 24.6 tp10 -60.84 -42.44 97.78 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 121.185 -0.947 . . . . 0.0 110.307 -179.147 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.2 mtpp -62.94 -30.5 71.61 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.544 -0.723 . . . . 0.0 112.77 -178.409 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 48.6 m-85 -138.12 -6.3 1.62 Allowed 'General case' 0 N--CA 1.506 2.328 0 O-C-N 120.75 -1.219 . . . . 0.0 112.271 -177.036 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.565 ' N ' ' O ' ' A' ' 12' ' ' HIS . 84.2 m-70 53.27 41.81 32.12 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.45 -1.406 . . . . 0.0 107.357 -177.996 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 88.9 p -65.18 157.0 29.94 Favored 'General case' 0 C--N 1.302 -1.461 0 CA-C-O 121.543 0.687 . . . . 0.0 110.786 -178.533 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -73.47 156.5 38.15 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.612 -0.68 . . . . 0.0 109.712 179.897 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 46.7 p-90 -54.61 -29.78 52.83 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.311 -0.868 . . . . 0.0 109.836 -179.945 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 83.0 mtm180 -62.16 -40.99 97.84 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.959 -1.088 . . . . 0.0 109.762 -179.842 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.18 -48.46 57.15 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.376 -0.827 . . . . 0.0 109.401 -179.9 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 78.6 mtm -60.98 -39.84 91.15 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.311 -0.868 . . . . 0.0 109.375 179.87 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.461 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -58.21 -49.45 77.01 Favored 'General case' 0 C--N 1.303 -1.423 0 C-N-CA 119.365 -0.934 . . . . 0.0 109.111 179.571 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 44.7 t -69.7 -35.35 75.0 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.337 -0.852 . . . . 0.0 110.058 179.618 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 58.4 t0 -59.96 -40.78 90.19 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.272 -0.892 . . . . 0.0 110.552 -179.158 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -112.08 2.42 16.78 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.448 -0.783 . . . . 0.0 110.384 -179.98 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.461 ' N ' ' O ' ' A' ' 23' ' ' ALA . 15.3 m120 56.86 47.85 17.12 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.213 -0.929 . . . . 0.0 109.982 179.268 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 64.9 mt -113.19 152.9 45.47 Favored Pre-proline 0 N--CA 1.498 1.936 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 179.703 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -62.06 147.88 94.24 Favored 'Trans proline' 0 N--CA 1.492 1.431 0 C-N-CA 121.595 1.53 . . . . 0.0 111.446 179.629 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo -41.51 -37.04 3.27 Favored 'Trans proline' 0 C--N 1.314 -1.262 0 C-N-CA 122.065 1.844 . . . . 0.0 111.973 -179.965 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 42.3 t -52.95 -50.2 45.27 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.869 0 O-C-N 121.329 -0.857 . . . . 0.0 110.528 -178.469 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.6 HG13 HD11 ' A' ' 5' ' ' ILE . 98.7 t -66.9 -46.77 84.32 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.818 0 C-N-CA 118.688 -1.205 . . . . 0.0 109.611 -179.156 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.68 -42.11 82.62 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.382 -0.824 . . . . 0.0 109.912 -179.863 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.2 mmmm -60.65 -37.96 83.23 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.068 -1.02 . . . . 0.0 109.848 -179.855 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.3 tm-20 -62.22 -39.76 93.86 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.189 -0.944 . . . . 0.0 110.748 -178.53 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 61.9 mt -60.31 -39.62 81.42 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 O-C-N 120.772 -1.205 . . . . 0.0 108.28 179.733 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 55.4 t -64.77 -39.6 86.19 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 121.265 -0.897 . . . . 0.0 108.988 178.971 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.401 ' O ' ' OE1' ' A' ' 44' ' ' GLN . . . -62.1 -34.16 75.8 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.45 -0.781 . . . . 0.0 109.276 179.664 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 58.1 m -77.32 -26.18 51.89 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.137 -0.977 . . . . 0.0 110.14 -179.09 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 35.3 t -81.32 104.76 12.0 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.996 -1.065 . . . . 0.0 108.731 179.532 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -60.32 -30.09 69.29 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.48 -0.762 . . . . 0.0 110.525 -178.94 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -70.42 -41.09 73.39 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.143 -0.973 . . . . 0.0 110.048 -179.173 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 87.3 m -87.61 -27.31 22.59 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 120.958 -1.089 . . . . 0.0 109.664 179.891 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.401 ' OE1' ' O ' ' A' ' 38' ' ' ALA . 15.9 tt0 -73.72 -70.45 0.38 Allowed 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.439 -0.788 . . . . 0.0 109.185 -179.484 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 46.0 mt -80.48 106.92 12.86 Favored 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 179.282 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.555 ' O ' ' N ' ' A' ' 48' ' ' GLU . 83.0 tttt -90.67 134.21 34.57 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.296 -0.878 . . . . 0.0 108.64 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -48.47 88.24 0.01 OUTLIER Glycine 0 N--CA 1.493 2.455 0 N-CA-C 110.185 -1.166 . . . . 0.0 110.185 -179.409 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.555 ' N ' ' O ' ' A' ' 46' ' ' LYS . 20.7 pt-20 -145.31 -32.03 0.39 Allowed 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.069 -1.253 . . . . 0.0 109.374 179.694 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.86 109.7 18.88 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.52 -0.737 . . . . 0.0 109.302 -179.948 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 21.3 ptm -173.38 -158.35 0.1 Allowed 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.26 -0.9 . . . . 0.0 109.602 -179.429 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 84.8 m-70 -50.86 145.7 6.84 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.285 -0.885 . . . . 0.0 109.119 179.743 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -140.94 80.32 0.26 Allowed Glycine 0 N--CA 1.5 2.91 0 N-CA-C 109.761 -1.336 . . . . 0.0 109.761 -179.651 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.446 ' O ' ' O ' ' A' ' 54' ' ' VAL . 39.9 tt0 63.02 18.74 11.16 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.305 -1.115 . . . . 0.0 108.849 -179.977 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.446 ' O ' ' O ' ' A' ' 53' ' ' GLN . 4.4 t 56.42 160.58 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 121.454 -0.779 . . . . 0.0 109.932 179.392 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 48.7 p-10 . . . . . 0 N--CA 1.495 1.813 0 CA-C-O 118.03 -0.986 . . . . 0.0 109.175 179.635 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . 0.514 ' O ' HD12 ' B' ' 5' ' ' ILE . 65.6 m-85 . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 121.455 0.645 . . . . 0.0 109.44 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 20.1 mt -72.62 -22.53 60.94 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.582 -0.699 . . . . 0.0 111.099 -178.63 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -68.14 -64.8 0.79 Allowed 'General case' 0 N--CA 1.497 1.911 0 O-C-N 120.91 -1.119 . . . . 0.0 111.288 -178.43 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.3 -40.55 99.17 Favored Glycine 0 N--CA 1.493 2.464 0 N-CA-C 110.151 -1.179 . . . . 0.0 110.151 -178.984 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.611 HD11 HG13 ' B' ' 32' ' ' VAL . 96.1 mt -59.94 -40.02 81.78 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.485 0 O-C-N 121.253 -1.146 . . . . 0.0 110.09 -179.594 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 58.5 t0 -55.5 -48.45 74.6 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.008 -1.058 . . . . 0.0 108.249 -179.82 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 29.8 ttmt -67.99 -43.39 79.01 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.248 -0.908 . . . . 0.0 109.066 179.02 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.68 -35.49 80.73 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.307 -0.87 . . . . 0.0 109.304 179.655 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . 0.419 ' N ' ' O ' ' B' ' 5' ' ' ILE . 0.9 OUTLIER -57.14 -40.7 77.69 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.299 -0.875 . . . . 0.0 109.212 -179.554 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 45.0 tp10 -60.22 -41.9 94.05 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.161 -0.962 . . . . 0.0 108.67 178.945 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 13.1 tm-20 -60.25 -41.33 92.97 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.345 -0.847 . . . . 0.0 109.007 179.051 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . 0.552 ' O ' ' N ' ' B' ' 16' ' ' HIS . 14.6 t60 -60.79 -45.57 93.85 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.209 -0.932 . . . . 0.0 109.655 179.586 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 23.9 tp10 -61.04 -42.85 99.26 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.04 -1.038 . . . . 0.0 110.336 -179.182 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp -62.57 -30.54 71.39 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.479 -0.763 . . . . 0.0 112.894 -178.677 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 49.3 m-85 -137.75 -6.54 1.69 Allowed 'General case' 0 N--CA 1.505 2.288 0 O-C-N 120.734 -1.228 . . . . 0.0 112.333 -176.905 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.552 ' N ' ' O ' ' B' ' 12' ' ' HIS . 82.1 m-70 52.89 42.74 32.09 Favored 'General case' 0 N--CA 1.495 1.788 0 N-CA-C 107.374 -1.343 . . . . 0.0 107.374 -177.953 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 93.6 p -65.97 157.32 31.1 Favored 'General case' 0 C--N 1.301 -1.516 0 CA-C-O 121.599 0.714 . . . . 0.0 110.485 -178.099 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -73.94 156.72 37.32 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.48 -0.763 . . . . 0.0 109.446 179.674 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 46.7 p-90 -54.87 -30.07 56.99 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.36 -0.838 . . . . 0.0 109.704 -179.724 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 82.9 mtm180 -61.9 -40.79 96.65 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.92 -1.112 . . . . 0.0 109.983 -179.865 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.93 -49.01 56.23 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.28 -0.888 . . . . 0.0 109.323 179.808 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 78.2 mtm -60.5 -40.19 90.48 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.24 -0.912 . . . . 0.0 109.573 179.886 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.464 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -58.32 -48.89 79.09 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.261 -0.899 . . . . 0.0 109.101 -179.972 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 45.3 t -70.25 -35.1 73.57 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.351 -0.843 . . . . 0.0 109.879 179.667 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 57.9 t0 -60.25 -40.6 90.84 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.278 -0.889 . . . . 0.0 110.51 -179.305 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -112.09 2.32 16.72 Favored 'General case' 0 N--CA 1.502 2.142 0 O-C-N 121.39 -0.819 . . . . 0.0 110.271 -179.878 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.464 ' N ' ' O ' ' B' ' 23' ' ' ALA . 14.6 m120 56.84 47.18 18.44 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.344 -0.847 . . . . 0.0 110.266 179.505 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 66.0 mt -112.84 152.33 44.74 Favored Pre-proline 0 N--CA 1.5 2.044 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 179.886 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -61.61 148.45 92.99 Favored 'Trans proline' 0 N--CA 1.49 1.31 0 C-N-CA 121.434 1.423 . . . . 0.0 111.538 179.974 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo -42.18 -36.7 4.24 Favored 'Trans proline' 0 C--N 1.315 -1.216 0 C-N-CA 122.091 1.861 . . . . 0.0 111.601 179.851 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 40.5 t -53.17 -50.09 48.0 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.721 0 O-C-N 121.141 -0.974 . . . . 0.0 110.579 -178.656 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . 0.611 HG13 HD11 ' B' ' 5' ' ' ILE . 89.8 t -66.87 -47.11 83.54 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.662 0 C-N-CA 118.649 -1.22 . . . . 0.0 109.57 -179.228 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.19 -42.59 83.94 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.568 -0.707 . . . . 0.0 110.261 179.967 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 3.2 mmmm -60.43 -37.43 80.86 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.07 -1.019 . . . . 0.0 109.874 -179.818 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 -62.46 -40.11 95.58 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.202 -0.936 . . . . 0.0 110.53 -178.596 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 61.6 mt -59.94 -40.17 82.19 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 O-C-N 120.647 -1.283 . . . . 0.0 108.102 179.821 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 60.2 t -64.13 -40.38 88.86 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 O-C-N 121.138 -0.976 . . . . 0.0 108.841 179.469 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . 0.548 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -61.22 -33.88 74.21 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.521 -0.737 . . . . 0.0 109.346 179.873 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 57.9 m -77.33 -26.83 52.49 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.212 -0.93 . . . . 0.0 110.043 -178.714 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 31.2 t -81.39 105.0 12.22 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.155 -0.965 . . . . 0.0 108.975 179.623 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -60.31 -30.07 69.25 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.577 -0.702 . . . . 0.0 110.73 -178.687 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -70.44 -41.26 73.09 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 120.917 -1.114 . . . . 0.0 110.203 -179.203 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 86.0 m -87.02 -27.49 23.18 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.187 -0.946 . . . . 0.0 109.63 179.465 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . 0.548 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 51.2 tt0 -73.67 -70.05 0.4 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.095 -1.003 . . . . 0.0 109.211 -179.588 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 47.4 mt -80.54 106.94 12.94 Favored 'General case' 0 C--N 1.298 -1.653 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 179.37 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . 0.565 ' O ' ' N ' ' B' ' 48' ' ' GLU . 82.7 tttt -90.48 134.36 34.41 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.136 -0.977 . . . . 0.0 108.724 179.617 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -48.91 87.91 0.01 OUTLIER Glycine 0 N--CA 1.493 2.454 0 N-CA-C 109.915 -1.274 . . . . 0.0 109.915 -179.54 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . 0.565 ' N ' ' O ' ' B' ' 46' ' ' LYS . 20.7 pt-20 -144.66 -31.87 0.42 Allowed 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.24 -1.153 . . . . 0.0 109.114 179.845 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -86.76 110.27 19.81 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.241 -0.912 . . . . 0.0 109.326 179.956 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 21.2 ptm -173.6 -157.85 0.09 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.302 -0.874 . . . . 0.0 109.398 -179.478 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 86.5 m-70 -51.39 146.28 7.31 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.276 -0.89 . . . . 0.0 109.052 -179.727 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -141.87 80.77 0.25 Allowed Glycine 0 N--CA 1.497 2.765 0 N-CA-C 109.832 -1.307 . . . . 0.0 109.832 -179.597 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . 0.433 ' O ' ' O ' ' B' ' 54' ' ' VAL . 40.5 tt0 62.71 18.97 11.06 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.588 -0.948 . . . . 0.0 108.846 -179.964 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.433 ' O ' ' O ' ' B' ' 53' ' ' GLN . 4.2 t 56.64 160.58 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 121.435 -0.791 . . . . 0.0 110.116 179.546 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 48.3 p-10 . . . . . 0 N--CA 1.492 1.67 0 O-C-N 121.135 -0.978 . . . . 0.0 109.294 179.66 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.441 ' CE2' ' CE2' ' B' ' 1' ' ' PHE . 43.1 m-85 . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 121.359 0.6 . . . . 0.0 109.481 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 73.0 mt -68.96 -38.0 79.14 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.272 -0.892 . . . . 0.0 111.247 -178.743 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 62.6 t0 -60.99 -50.31 73.91 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 120.593 -1.317 . . . . 0.0 111.468 -178.54 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.36 -43.65 92.23 Favored Glycine 0 N--CA 1.49 2.259 0 N-CA-C 109.314 -1.514 . . . . 0.0 109.314 -179.438 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.416 HD12 ' O ' ' A' ' 1' ' ' PHE . 88.1 mt -60.04 -38.58 77.35 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.499 0 O-C-N 121.616 -0.932 . . . . 0.0 110.892 -179.798 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -56.72 -47.24 80.42 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 120.505 -1.372 . . . . 0.0 108.8 -179.51 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.9 mtpp -69.15 -40.48 78.17 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.043 -1.035 . . . . 0.0 109.08 179.119 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.99 -38.05 85.33 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 119.764 -0.774 . . . . 0.0 109.565 179.843 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -55.48 -40.42 71.67 Favored 'General case' 0 C--N 1.297 -1.677 0 C-N-CA 119.676 -0.809 . . . . 0.0 109.115 -179.547 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -63.51 -43.58 96.78 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.912 -1.118 . . . . 0.0 109.557 179.079 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.0 tm-20 -60.08 -44.93 94.42 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.126 -0.983 . . . . 0.0 109.245 -179.888 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.517 ' O ' ' N ' ' A' ' 16' ' ' HIS . 15.8 t60 -61.19 -45.23 95.45 Favored 'General case' 0 C--N 1.3 -1.563 0 C-N-CA 119.191 -1.004 . . . . 0.0 109.726 179.958 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 15.0 tm-20 -61.12 -40.25 93.06 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 120.937 -1.102 . . . . 0.0 110.317 -178.94 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -65.0 -38.97 92.73 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.264 -0.897 . . . . 0.0 112.609 -178.954 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -129.98 -3.63 4.56 Favored 'General case' 0 N--CA 1.511 2.595 0 O-C-N 120.987 -1.071 . . . . 0.0 112.45 -176.488 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.517 ' N ' ' O ' ' A' ' 12' ' ' HIS . 93.1 m-70 53.85 40.36 31.45 Favored 'General case' 0 N--CA 1.497 1.916 0 N-CA-C 107.586 -1.264 . . . . 0.0 107.586 -178.114 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.5 p -59.72 154.76 17.3 Favored 'General case' 0 N--CA 1.489 1.476 0 CA-C-O 121.263 0.554 . . . . 0.0 110.475 -178.782 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -72.65 149.61 43.72 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.211 -0.931 . . . . 0.0 108.984 179.661 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 47.5 p-90 -51.22 -30.24 16.69 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 120.831 -1.168 . . . . 0.0 110.234 -179.273 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 63.1 mtp180 -63.3 -43.62 97.33 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.906 -1.121 . . . . 0.0 110.437 179.591 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.45 -46.43 66.72 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.685 -1.259 . . . . 0.0 108.446 179.901 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 22.0 mtp -60.59 -45.43 94.0 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.634 -0.667 . . . . 0.0 109.587 179.896 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.53 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -58.69 -43.04 89.87 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.301 -0.874 . . . . 0.0 109.08 179.547 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 31.2 m -70.2 -38.42 75.32 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.444 -0.785 . . . . 0.0 109.579 179.71 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 61.4 t0 -59.58 -42.21 91.99 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.202 -0.936 . . . . 0.0 110.215 -179.227 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -106.64 -2.41 21.76 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.463 -0.773 . . . . 0.0 109.561 179.894 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.53 ' N ' ' O ' ' A' ' 23' ' ' ALA . 11.8 t-20 56.52 50.04 13.68 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.499 -0.75 . . . . 0.0 109.584 179.186 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 68.2 mt -115.54 146.21 36.16 Favored Pre-proline 0 N--CA 1.5 2.033 0 O-C-N 121.609 -0.682 . . . . 0.0 109.385 179.789 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_exo -45.54 144.66 4.81 Favored 'Trans proline' 0 N--CA 1.489 1.217 0 C-N-CA 121.781 1.654 . . . . 0.0 111.585 178.927 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -44.57 -37.16 10.84 Favored 'Trans proline' 0 C--N 1.312 -1.376 0 C-N-CA 121.694 1.596 . . . . 0.0 111.729 178.986 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 48.4 t -53.73 -50.18 52.94 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.801 0 C-N-CA 120.148 -0.621 . . . . 0.0 110.086 -178.262 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 51.5 t -63.36 -50.36 79.07 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.806 0 C-N-CA 118.615 -1.234 . . . . 0.0 109.803 -178.616 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.92 -43.02 89.35 Favored 'General case' 0 N--CA 1.489 1.511 0 C-N-CA 119.079 -1.049 . . . . 0.0 109.597 179.562 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 23.8 mtpp -62.13 -37.91 86.97 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.863 -1.148 . . . . 0.0 110.415 -179.811 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.4 tm-20 -61.52 -39.87 92.57 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.016 -1.053 . . . . 0.0 110.731 -178.934 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 82.0 mt -59.71 -39.64 80.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 120.708 -1.245 . . . . 0.0 107.929 179.568 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 92.2 t -60.64 -39.95 83.15 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.231 -0.918 . . . . 0.0 108.728 178.687 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.404 ' O ' ' OE1' ' A' ' 44' ' ' GLN . . . -60.66 -31.57 70.79 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.171 -0.956 . . . . 0.0 108.661 178.714 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 63.2 m -75.55 -30.4 59.7 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.33 -0.856 . . . . 0.0 109.187 179.775 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 44.9 t -81.05 98.77 8.13 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.369 -0.832 . . . . 0.0 109.601 179.772 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -59.94 -28.87 67.99 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.547 -0.72 . . . . 0.0 110.589 -179.355 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 59.4 mttp -68.42 -38.13 80.93 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 120.843 -1.16 . . . . 0.0 110.058 -178.517 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 55.1 m -86.48 -34.79 19.95 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.386 -0.821 . . . . 0.0 110.89 -179.836 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.551 ' NE2' ' OE1' ' B' ' 44' ' ' GLN . 53.0 tt0 -70.38 -51.3 30.75 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.359 -0.838 . . . . 0.0 111.666 -177.831 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 89.4 mt -83.88 17.69 2.28 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.075 -1.016 . . . . 0.0 110.435 -178.31 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.428 ' C ' ' H ' ' A' ' 48' ' ' GLU . 85.5 tttt -80.67 115.34 20.13 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.029 -1.044 . . . . 0.0 109.53 -179.709 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 70.41 -9.49 3.29 Favored Glycine 0 N--CA 1.49 2.259 0 N-CA-C 110.043 -1.223 . . . . 0.0 110.043 179.671 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.428 ' H ' ' C ' ' A' ' 46' ' ' LYS . 94.4 mt-10 -96.78 1.13 50.45 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.295 -1.121 . . . . 0.0 109.891 -179.655 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.26 133.46 35.44 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.948 -1.095 . . . . 0.0 109.118 -179.549 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.477 ' O ' ' O ' ' B' ' 50' ' ' MET . 53.2 mtt -82.54 149.92 27.23 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.379 -0.825 . . . . 0.0 110.714 -178.987 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 72.0 m80 -100.84 134.71 43.42 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 178.972 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.952 ' H ' ' H ' ' B' ' 52' ' ' GLY . . . -89.37 145.83 18.66 Favored Glycine 0 N--CA 1.49 2.236 0 N-CA-C 109.559 -1.417 . . . . 0.0 109.559 -179.113 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 95.1 mm-40 -72.34 -145.76 0.02 OUTLIER 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.021 -1.282 . . . . 0.0 108.818 179.562 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.419 ' O ' HG12 ' A' ' 54' ' ' VAL . 18.0 t -89.8 2.01 7.21 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.982 0 O-C-N 121.115 -0.99 . . . . 0.0 109.378 -179.679 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 60.8 t0 . . . . . 0 C--N 1.296 -1.759 0 CA-C-O 118.237 -0.887 . . . . 0.0 109.731 179.815 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . 0.441 ' CE2' ' CE2' ' A' ' 1' ' ' PHE . 34.7 m-85 . . . . . 0 N--CA 1.494 1.731 0 CA-C-O 121.384 0.612 . . . . 0.0 109.566 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 69.3 mt -70.64 -37.4 73.75 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.194 -0.941 . . . . 0.0 111.339 -178.672 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -60.37 -51.71 68.35 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 120.904 -1.123 . . . . 0.0 111.019 -178.218 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.46 -42.4 93.77 Favored Glycine 0 N--CA 1.49 2.25 0 C-N-CA 119.307 -1.425 . . . . 0.0 109.675 -179.402 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.407 ' O ' ' N ' ' B' ' 9' ' ' GLN . 83.8 mt -60.29 -39.43 80.8 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.523 0 O-C-N 121.57 -0.959 . . . . 0.0 110.356 -179.74 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 62.0 t0 -55.67 -46.99 77.48 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 120.737 -1.227 . . . . 0.0 109.306 -179.314 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -69.59 -40.22 76.82 Favored 'General case' 0 N--CA 1.492 1.628 0 C-N-CA 119.155 -1.018 . . . . 0.0 109.093 178.908 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.11 -38.09 85.03 Favored 'General case' 0 C--N 1.304 -1.401 0 C-N-CA 120.062 -0.655 . . . . 0.0 109.437 -179.939 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . 0.407 ' N ' ' O ' ' B' ' 5' ' ' ILE . 61.2 tt0 -56.0 -40.72 73.77 Favored 'General case' 0 C--N 1.306 -1.303 0 C-N-CA 119.707 -0.797 . . . . 0.0 108.992 -179.465 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -62.76 -43.62 98.33 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.208 -0.933 . . . . 0.0 109.664 178.931 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 13.6 tm-20 -61.08 -44.67 97.01 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.345 -0.847 . . . . 0.0 109.178 -179.643 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . 0.562 ' O ' ' N ' ' B' ' 16' ' ' HIS . 14.6 t60 -60.92 -45.18 95.68 Favored 'General case' 0 C--N 1.298 -1.648 0 C-N-CA 119.323 -0.951 . . . . 0.0 109.231 179.807 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 13.9 tm-20 -60.86 -41.53 96.1 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.19 -0.944 . . . . 0.0 110.081 -178.914 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 26.3 mtpp -64.04 -37.65 88.2 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.167 -0.958 . . . . 0.0 112.505 -178.739 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 46.5 m-85 -131.29 -4.6 3.83 Favored 'General case' 0 N--CA 1.508 2.464 0 O-C-N 120.719 -1.238 . . . . 0.0 112.486 -176.233 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.562 ' N ' ' O ' ' B' ' 12' ' ' HIS . 92.9 m-70 54.77 41.5 31.87 Favored 'General case' 0 N--CA 1.493 1.705 0 N-CA-C 107.468 -1.308 . . . . 0.0 107.468 -177.969 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 8.4 p -60.94 155.12 20.63 Favored 'General case' 0 N--CA 1.488 1.45 0 CA-C-O 121.191 0.52 . . . . 0.0 110.441 -179.036 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -73.31 149.95 42.28 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.299 -0.876 . . . . 0.0 108.849 179.432 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 44.5 p-90 -51.21 -30.14 16.32 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.077 -1.014 . . . . 0.0 110.493 -178.963 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 62.4 mtp180 -63.25 -43.35 98.27 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.692 -1.255 . . . . 0.0 110.516 179.849 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.17 -47.42 64.98 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 120.942 -1.099 . . . . 0.0 108.372 -179.907 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 26.1 mtp -59.5 -44.73 93.03 Favored 'General case' 0 C--N 1.293 -1.865 0 CA-C-O 121.502 0.668 . . . . 0.0 110.146 179.2 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.532 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -59.71 -42.55 93.3 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.088 -1.007 . . . . 0.0 109.16 179.529 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 47.2 m -70.46 -38.48 74.46 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.293 -0.879 . . . . 0.0 109.913 179.514 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -59.7 -42.27 92.64 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.393 -0.817 . . . . 0.0 110.015 -179.21 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -106.06 -3.05 22.02 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 121.393 -0.817 . . . . 0.0 109.653 179.793 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.532 ' N ' ' O ' ' B' ' 23' ' ' ALA . 15.4 t-20 57.41 49.84 12.33 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.584 -0.698 . . . . 0.0 110.048 179.594 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 65.3 mt -115.15 148.11 39.93 Favored Pre-proline 0 N--CA 1.503 2.195 0 O-C-N 121.314 -0.866 . . . . 0.0 109.812 -179.986 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -47.14 145.4 7.69 Favored 'Trans proline' 0 N--CA 1.488 1.189 0 C-N-CA 121.648 1.566 . . . . 0.0 111.676 178.475 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -44.96 -37.51 12.41 Favored 'Trans proline' 0 N--CA 1.488 1.179 0 C-N-CA 121.906 1.737 . . . . 0.0 111.541 179.237 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 47.2 t -53.63 -49.88 53.68 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.814 0 O-C-N 121.684 -0.635 . . . . 0.0 110.664 -178.628 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 61.2 t -63.44 -50.0 80.39 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.749 0 C-N-CA 118.441 -1.303 . . . . 0.0 109.747 -178.758 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.41 -43.09 86.71 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 120.94 -1.1 . . . . 0.0 109.876 179.661 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 23.8 mtpp -62.19 -37.82 86.77 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.972 -1.08 . . . . 0.0 110.253 179.871 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.1 tm-20 -61.65 -39.72 92.35 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.873 -1.142 . . . . 0.0 110.637 -179.025 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 78.2 mt -60.05 -38.9 78.69 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 120.854 -1.154 . . . . 0.0 108.034 179.55 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 85.4 t -61.6 -40.18 85.71 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.478 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 179.089 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . 0.547 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -60.5 -30.55 69.79 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.241 -0.912 . . . . 0.0 108.857 178.717 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 49.8 m -76.52 -29.63 56.83 Favored 'General case' 0 C--N 1.302 -1.486 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 179.933 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 44.4 t -81.6 98.54 8.39 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.467 -0.771 . . . . 0.0 109.223 179.764 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -59.58 -29.45 67.96 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.366 -0.834 . . . . 0.0 110.185 -179.644 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 58.6 mttp -68.2 -38.01 81.52 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.25 -0.907 . . . . 0.0 110.302 -178.457 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 54.9 m -86.75 -33.72 19.87 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 120.991 -1.068 . . . . 0.0 110.847 -179.496 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . 0.551 ' OE1' ' NE2' ' A' ' 44' ' ' GLN . 6.5 tt0 -71.32 -50.59 30.89 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.165 -0.96 . . . . 0.0 111.595 -177.985 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 86.2 mt -84.03 17.86 2.29 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.097 -1.002 . . . . 0.0 110.367 -178.565 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . 0.432 ' C ' ' H ' ' B' ' 48' ' ' GLU . 85.2 tttt -80.96 116.22 20.82 Favored 'General case' 0 C--N 1.296 -1.729 0 O-C-N 121.235 -0.916 . . . . 0.0 109.621 179.842 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 68.95 -7.28 3.18 Favored Glycine 0 N--CA 1.489 2.229 0 N-CA-C 109.954 -1.259 . . . . 0.0 109.954 179.603 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . 0.432 ' H ' ' C ' ' B' ' 46' ' ' LYS . 93.3 mt-10 -98.51 -2.28 39.2 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.231 -1.158 . . . . 0.0 109.524 -179.979 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -77.14 132.27 38.73 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.043 -1.036 . . . . 0.0 109.402 -179.934 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . 0.477 ' O ' ' O ' ' A' ' 50' ' ' MET . 55.2 mtt -82.19 151.34 26.94 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.507 -0.746 . . . . 0.0 110.802 -178.956 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 72.2 m80 -102.43 134.97 44.89 Favored 'General case' 0 N--CA 1.496 1.85 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 178.995 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . 0.952 ' H ' ' H ' ' A' ' 52' ' ' GLY . . . -88.0 147.52 20.37 Favored Glycine 0 N--CA 1.495 2.569 0 N-CA-C 109.575 -1.41 . . . . 0.0 109.575 -179.405 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 95.5 mm-40 -74.79 -143.79 0.02 OUTLIER 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.001 -1.293 . . . . 0.0 108.521 179.353 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.411 ' O ' HG12 ' B' ' 54' ' ' VAL . 16.1 t -91.86 0.61 9.22 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.818 0 O-C-N 121.136 -0.978 . . . . 0.0 109.137 -179.785 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 64.6 t0 . . . . . 0 C--N 1.296 -1.727 0 CA-C-O 117.867 -1.063 . . . . 0.0 109.111 179.422 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.55 ' O ' HD12 ' A' ' 5' ' ' ILE . 95.6 m-85 . . . . . 0 N--CA 1.488 1.435 0 CA-C-O 121.624 0.726 . . . . 0.0 109.523 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 25.2 mt -72.53 -35.58 68.09 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.548 -0.72 . . . . 0.0 111.669 -178.414 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 61.3 t0 -66.34 -50.7 62.68 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 120.723 -1.235 . . . . 0.0 111.558 -178.478 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.19 -45.59 79.62 Favored Glycine 0 N--CA 1.489 2.188 0 N-CA-C 109.536 -1.426 . . . . 0.0 109.536 -179.035 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.55 HD12 ' O ' ' A' ' 1' ' ' PHE . 89.7 mt -59.54 -39.96 80.72 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.575 0 O-C-N 121.692 -0.887 . . . . 0.0 110.267 179.903 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -54.65 -46.33 73.97 Favored 'General case' 0 C--N 1.297 -1.678 0 C-N-CA 119.173 -1.011 . . . . 0.0 109.235 -179.496 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -69.93 -41.78 74.16 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.782 -1.199 . . . . 0.0 109.187 178.791 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.36 -35.77 80.03 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.391 -0.818 . . . . 0.0 109.593 179.912 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.409 ' N ' ' O ' ' A' ' 5' ' ' ILE . 59.8 tt0 -59.06 -41.29 87.56 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.281 -0.887 . . . . 0.0 109.655 -179.361 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -60.89 -40.41 92.92 Favored 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 118.743 -1.183 . . . . 0.0 108.748 179.433 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.9 tm-20 -61.19 -40.67 94.79 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.136 -0.978 . . . . 0.0 109.03 179.047 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.518 ' O ' ' N ' ' A' ' 16' ' ' HIS . 16.4 t60 -60.88 -48.17 83.03 Favored 'General case' 0 C--N 1.305 -1.334 0 C-N-CA 119.362 -0.935 . . . . 0.0 109.182 179.277 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -60.25 -40.09 89.07 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.121 -0.987 . . . . 0.0 110.04 -179.55 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt -64.05 -35.08 79.54 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.122 -0.986 . . . . 0.0 112.603 -179.48 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 51.7 m-85 -136.01 -3.75 2.23 Favored 'General case' 0 N--CA 1.511 2.59 0 O-C-N 120.535 -1.353 . . . . 0.0 113.026 -176.908 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.518 ' N ' ' O ' ' A' ' 12' ' ' HIS . 87.8 m-70 53.7 42.68 31.77 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.571 -1.33 . . . . 0.0 107.455 -178.284 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 88.3 p -67.72 156.43 36.98 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.501 -0.75 . . . . 0.0 110.618 -178.393 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -72.74 160.28 32.46 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.517 -0.739 . . . . 0.0 109.03 179.608 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 41.0 p-90 -58.64 -30.75 67.54 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.293 -0.879 . . . . 0.0 110.658 -178.906 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -62.52 -39.97 95.26 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 120.762 -1.211 . . . . 0.0 109.987 179.984 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.85 -49.06 61.53 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 121.251 -0.906 . . . . 0.0 109.594 -179.566 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 77.9 mtm -60.59 -40.06 90.37 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.991 -1.068 . . . . 0.0 109.434 179.717 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.515 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -56.64 -45.65 81.47 Favored 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 119.507 -0.877 . . . . 0.0 109.351 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 15.2 t -69.42 -37.57 77.5 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.288 -0.883 . . . . 0.0 110.345 179.908 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -60.57 -39.63 88.71 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.305 -0.872 . . . . 0.0 110.719 -179.056 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -112.23 -0.49 15.48 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.376 -0.828 . . . . 0.0 109.665 -179.628 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.515 ' N ' ' O ' ' A' ' 23' ' ' ALA . 91.8 m-20 54.84 49.15 18.49 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.64 -0.663 . . . . 0.0 109.614 179.655 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 85.9 mt -112.37 153.42 44.83 Favored Pre-proline 0 N--CA 1.496 1.829 0 N-CA-C 108.45 -0.945 . . . . 0.0 108.45 -179.937 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -60.55 150.62 80.59 Favored 'Trans proline' 0 N--CA 1.492 1.399 0 C-N-CA 121.427 1.418 . . . . 0.0 111.27 179.923 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.463 ' O ' ' CG ' ' A' ' 34' ' ' LYS . 23.7 Cg_exo -44.69 -33.69 7.28 Favored 'Trans proline' 0 C--N 1.311 -1.446 0 C-N-CA 121.939 1.759 . . . . 0.0 111.604 179.36 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.457 HG11 HD11 ' B' ' 5' ' ' ILE . 84.9 t -55.43 -49.05 76.02 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.655 0 O-C-N 121.294 -0.879 . . . . 0.0 110.532 -177.836 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.436 HG13 HD11 ' A' ' 5' ' ' ILE . 59.7 t -67.95 -47.5 78.78 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.749 0 C-N-CA 118.115 -1.434 . . . . 0.0 109.309 -179.067 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.99 -41.07 87.38 Favored 'General case' 0 C--N 1.301 -1.526 0 C-N-CA 119.654 -0.818 . . . . 0.0 110.278 -179.797 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.463 ' CG ' ' O ' ' A' ' 30' ' ' PRO . 13.6 mmmt -62.51 -39.51 93.77 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.067 -1.021 . . . . 0.0 109.593 179.899 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.7 tm-20 -60.54 -39.68 88.8 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.357 -0.839 . . . . 0.0 110.559 -178.919 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 47.9 mt -59.59 -39.82 80.44 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 120.728 -1.232 . . . . 0.0 108.674 -179.583 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 78.3 t -60.72 -39.72 82.59 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.179 -0.951 . . . . 0.0 108.622 179.27 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.2 -30.76 70.62 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.523 -0.735 . . . . 0.0 109.608 179.528 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.7 m -74.53 -33.43 62.77 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.413 -0.804 . . . . 0.0 109.066 -179.618 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 41.8 t -81.13 103.14 10.73 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.281 -0.887 . . . . 0.0 109.314 179.807 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -61.91 -29.93 70.55 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.245 -0.91 . . . . 0.0 109.94 -179.841 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 50.0 mtpt -68.78 -40.32 79.73 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.176 -0.953 . . . . 0.0 110.262 -178.647 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 80.1 m -84.89 -26.5 27.27 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.639 -1.288 . . . . 0.0 109.714 179.125 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.62 HE21 ' CG ' ' B' ' 44' ' ' GLN . 57.6 tt0 -77.85 -71.64 0.41 Allowed 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 179.395 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 31.6 mt -83.88 104.09 13.68 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 107.871 -1.159 . . . . 0.0 107.871 178.376 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -90.07 -2.13 58.06 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.174 -0.954 . . . . 0.0 110.326 -178.635 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 115.16 68.56 0.45 Allowed Glycine 0 N--CA 1.498 2.782 0 N-CA-C 109.836 -1.306 . . . . 0.0 109.836 179.581 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -83.83 124.21 30.71 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.217 -1.166 . . . . 0.0 108.6 179.088 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -100.81 160.33 14.45 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.168 -0.958 . . . . 0.0 110.843 -179.192 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.409 ' CG ' ' H ' ' A' ' 51' ' ' HIS . 8.1 tpt -141.83 -128.55 0.1 Allowed 'General case' 0 N--CA 1.489 1.483 0 CA-C-O 121.227 0.536 . . . . 0.0 109.607 179.978 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.409 ' H ' ' CG ' ' A' ' 50' ' ' MET . 45.0 m-70 47.71 -99.62 0.05 Allowed 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.378 -0.826 . . . . 0.0 109.836 -179.485 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 81.75 -79.81 1.81 Allowed Glycine 0 N--CA 1.493 2.466 0 O-C-N 120.789 -1.194 . . . . 0.0 110.178 179.894 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.476 ' O ' ' O ' ' A' ' 54' ' ' VAL . 77.9 mt-30 -83.44 9.38 11.25 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.144 -1.209 . . . . 0.0 109.703 -179.879 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.476 ' O ' ' O ' ' A' ' 53' ' ' GLN . 2.6 t 56.12 157.43 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.893 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 -179.296 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 62.2 t0 . . . . . 0 N--CA 1.497 1.922 0 O-C-N 120.68 -1.262 . . . . 0.0 108.996 179.884 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . 0.576 ' O ' HD12 ' B' ' 5' ' ' ILE . 96.8 m-85 . . . . . 0 N--CA 1.491 1.591 0 CA-C-O 121.665 0.745 . . . . 0.0 109.788 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 25.4 mt -74.09 -36.48 64.28 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.495 -0.753 . . . . 0.0 111.776 -178.116 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 54.6 t0 -66.12 -50.34 64.37 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 120.794 -1.192 . . . . 0.0 111.952 -178.129 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.13 -44.64 65.58 Favored Glycine 0 N--CA 1.486 2.019 0 N-CA-C 109.347 -1.501 . . . . 0.0 109.347 -178.821 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.576 HD12 ' O ' ' B' ' 1' ' ' PHE . 91.7 mt -59.76 -38.7 77.2 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.691 0 O-C-N 121.563 -0.963 . . . . 0.0 110.045 179.758 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -55.78 -45.81 78.07 Favored 'General case' 0 C--N 1.301 -1.502 0 C-N-CA 118.901 -1.12 . . . . 0.0 109.029 -179.384 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -69.68 -42.7 73.78 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 120.869 -1.144 . . . . 0.0 109.323 178.951 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.87 -35.88 81.04 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.273 -0.892 . . . . 0.0 109.663 179.935 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -58.91 -40.62 85.06 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.309 -0.869 . . . . 0.0 109.656 -179.062 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -61.29 -39.83 91.88 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 120.884 -1.135 . . . . 0.0 108.575 178.952 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 14.9 tm-20 -62.05 -42.49 99.23 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.285 -0.885 . . . . 0.0 109.071 179.193 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . 0.524 ' O ' ' N ' ' B' ' 16' ' ' HIS . 14.7 t60 -60.01 -46.53 89.18 Favored 'General case' 0 C--N 1.303 -1.452 0 C-N-CA 119.193 -1.003 . . . . 0.0 108.989 179.762 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -60.55 -39.79 89.23 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.43 -0.794 . . . . 0.0 110.307 -179.911 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -66.03 -30.64 71.21 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.191 -0.943 . . . . 0.0 112.578 -178.902 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -139.4 -4.99 1.43 Allowed 'General case' 0 N--CA 1.508 2.441 0 O-C-N 120.469 -1.395 . . . . 0.0 112.82 -176.87 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.524 ' N ' ' O ' ' B' ' 12' ' ' HIS . 89.8 m-70 54.45 43.2 30.73 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.567 -1.333 . . . . 0.0 107.755 -177.914 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 77.6 p -68.17 155.08 40.38 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.609 -0.682 . . . . 0.0 110.645 -178.865 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 20.0 m120 -71.31 158.65 35.98 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.603 -0.685 . . . . 0.0 109.494 179.659 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 38.5 p-90 -56.96 -30.45 64.09 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.264 -0.897 . . . . 0.0 110.445 -179.256 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -63.68 -39.91 95.49 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.958 -1.089 . . . . 0.0 110.214 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.37 -47.79 63.21 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.227 -0.921 . . . . 0.0 109.639 -179.277 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 77.3 mtm -61.77 -39.94 93.4 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.136 -0.977 . . . . 0.0 109.372 179.391 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.511 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -56.89 -44.84 82.71 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.432 -0.793 . . . . 0.0 109.11 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 12.6 t -69.97 -38.55 76.12 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.317 -0.864 . . . . 0.0 109.707 179.773 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -59.76 -37.36 78.79 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.394 -0.816 . . . . 0.0 111.029 -179.135 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -114.05 -1.94 13.62 Favored 'General case' 0 N--CA 1.5 2.06 0 O-C-N 121.171 -0.956 . . . . 0.0 109.771 -179.464 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.511 ' N ' ' O ' ' B' ' 23' ' ' ALA . 89.5 m-20 55.48 48.13 19.54 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.619 -0.675 . . . . 0.0 109.347 179.886 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 82.8 mt -112.17 152.46 44.42 Favored Pre-proline 0 N--CA 1.499 1.975 0 N-CA-C 108.215 -1.031 . . . . 0.0 108.215 179.732 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -59.99 151.53 71.34 Favored 'Trans proline' 0 N--CA 1.494 1.528 0 C-N-CA 121.604 1.536 . . . . 0.0 111.788 179.677 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . 0.482 ' O ' ' CG ' ' B' ' 34' ' ' LYS . 24.2 Cg_exo -45.31 -33.38 8.67 Favored 'Trans proline' 0 C--N 1.31 -1.491 0 C-N-CA 122.052 1.834 . . . . 0.0 111.97 179.388 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.448 HG11 HD11 ' A' ' 5' ' ' ILE . 85.7 t -56.23 -49.49 76.06 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.614 0 C-N-CA 119.513 -0.875 . . . . 0.0 110.522 -177.802 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . 0.436 HG13 HD11 ' B' ' 5' ' ' ILE . 57.4 t -67.74 -48.1 77.23 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.664 0 C-N-CA 118.432 -1.307 . . . . 0.0 109.424 -178.813 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.52 -41.08 89.35 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.284 -0.885 . . . . 0.0 110.045 179.93 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.482 ' CG ' ' O ' ' B' ' 30' ' ' PRO . 13.5 mmmt -62.04 -39.84 93.73 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 120.988 -1.07 . . . . 0.0 109.786 179.848 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 12.8 tm-20 -60.48 -38.96 85.97 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.152 -0.967 . . . . 0.0 110.821 -178.927 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 49.2 mt -60.17 -39.87 81.85 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 O-C-N 120.963 -1.086 . . . . 0.0 108.158 -179.641 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 73.7 t -60.11 -39.9 81.81 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.479 0 O-C-N 121.132 -0.98 . . . . 0.0 108.615 179.177 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . 0.455 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -61.9 -30.01 70.59 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.639 -0.663 . . . . 0.0 109.469 179.452 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 34.5 m -75.28 -33.04 61.2 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.127 -0.983 . . . . 0.0 108.985 -179.473 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 41.4 t -80.95 101.84 9.74 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.425 -0.797 . . . . 0.0 109.572 179.743 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 83.1 m-20 -61.2 -29.26 69.7 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.566 -0.709 . . . . 0.0 109.625 -179.843 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 48.2 mtpt -69.71 -39.96 76.57 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.106 -0.996 . . . . 0.0 110.202 -178.697 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 65.6 m -84.65 -28.18 26.61 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 120.657 -1.277 . . . . 0.0 109.319 179.426 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . 0.62 ' CG ' HE21 ' A' ' 44' ' ' GLN . 6.9 tt0 -76.79 -71.24 0.41 Allowed 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.062 -1.024 . . . . 0.0 108.778 179.606 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 34.8 mt -83.83 103.37 13.05 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 107.619 -1.252 . . . . 0.0 107.619 178.527 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -89.52 -1.86 58.17 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.154 -0.966 . . . . 0.0 110.247 -178.543 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 115.63 67.16 0.42 Allowed Glycine 0 N--CA 1.498 2.776 0 N-CA-C 109.993 -1.243 . . . . 0.0 109.993 179.657 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -82.62 123.75 29.53 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 120.944 -1.327 . . . . 0.0 108.906 179.187 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -100.15 160.54 14.24 Favored 'General case' 0 N--CA 1.502 2.141 0 O-C-N 121.329 -0.857 . . . . 0.0 110.664 -179.381 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . 0.41 ' CG ' ' H ' ' B' ' 51' ' ' HIS . 7.3 tpt -142.24 -128.7 0.09 Allowed 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 -179.965 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 51' ' ' HIS . . . . . 0.41 ' H ' ' CG ' ' B' ' 50' ' ' MET . 34.7 m-70 48.3 -102.08 0.08 Allowed 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.34 -0.85 . . . . 0.0 109.571 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 83.19 -80.34 1.83 Allowed Glycine 0 N--CA 1.496 2.67 0 N-CA-C 109.54 -1.424 . . . . 0.0 109.54 179.889 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . 0.506 ' O ' ' O ' ' B' ' 54' ' ' VAL . 77.2 mt-30 -83.47 9.92 10.08 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.364 -1.08 . . . . 0.0 109.621 179.826 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.506 ' O ' ' O ' ' B' ' 53' ' ' GLN . 2.7 t 54.72 159.12 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.732 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 -179.669 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 62.4 t0 . . . . . 0 N--CA 1.497 1.892 0 O-C-N 120.354 -1.466 . . . . 0.0 108.88 179.412 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.469 ' CZ ' ' CZ ' ' B' ' 1' ' ' PHE . 45.1 m-85 . . . . . 0 N--CA 1.484 1.261 0 CA-C-O 121.357 0.599 . . . . 0.0 109.828 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 43.9 mt -69.92 -39.68 76.0 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.339 -0.851 . . . . 0.0 110.994 -178.504 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -63.63 -44.92 92.5 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 120.836 -1.165 . . . . 0.0 110.624 -178.721 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.06 -46.68 50.09 Favored Glycine 0 N--CA 1.492 2.406 0 N-CA-C 109.912 -1.275 . . . . 0.0 109.912 -179.937 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.454 HD11 HG11 ' B' ' 31' ' ' VAL . 82.2 mt -59.98 -39.69 80.93 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 121.645 -0.915 . . . . 0.0 110.197 -179.914 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 61.3 t0 -55.11 -46.55 75.57 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.947 -1.096 . . . . 0.0 109.255 -179.39 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -69.96 -42.92 72.52 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.733 -1.229 . . . . 0.0 109.032 178.474 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.21 -36.4 84.06 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.192 -0.942 . . . . 0.0 109.547 -179.897 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.432 ' N ' ' O ' ' A' ' 5' ' ' ILE . 55.4 tt0 -56.32 -42.37 77.53 Favored 'General case' 0 C--N 1.303 -1.426 0 C-N-CA 119.689 -0.804 . . . . 0.0 109.459 -179.648 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 79.9 tt0 -60.8 -40.76 93.9 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.996 -1.065 . . . . 0.0 108.74 178.914 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 15.6 tm-20 -60.48 -41.46 94.26 Favored 'General case' 0 N--CA 1.487 1.398 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 179.435 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.579 ' O ' ' N ' ' A' ' 16' ' ' HIS . 12.9 t60 -61.8 -47.93 82.91 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.186 -0.946 . . . . 0.0 109.815 179.624 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 52.0 tp10 -60.25 -42.48 95.42 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.113 -0.992 . . . . 0.0 110.564 -179.176 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -61.24 -37.45 83.11 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.312 -0.867 . . . . 0.0 112.267 -178.436 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -134.89 -0.89 2.76 Favored 'General case' 0 N--CA 1.505 2.296 0 O-C-N 120.909 -1.12 . . . . 0.0 112.592 -176.722 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.579 ' N ' ' O ' ' A' ' 12' ' ' HIS . 91.0 m-70 52.33 41.26 30.46 Favored 'General case' 0 N--CA 1.501 2.105 0 O-C-N 120.431 -1.418 . . . . 0.0 107.361 -177.99 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 64.5 p -60.32 156.39 15.79 Favored 'General case' 0 C--N 1.303 -1.434 0 CA-C-O 121.523 0.678 . . . . 0.0 110.502 -178.154 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 65.8 m-20 -73.23 158.87 34.37 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.575 -0.703 . . . . 0.0 109.273 -179.721 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.516 ' NE1' ' NH1' ' A' ' 20' ' ' ARG . 18.9 p-90 -56.74 -28.68 61.53 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.342 -0.849 . . . . 0.0 109.432 179.747 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.516 ' NH1' ' NE1' ' A' ' 19' ' ' TRP . 7.3 mtt-85 -63.09 -41.1 99.32 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.207 -0.933 . . . . 0.0 109.39 -179.644 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.0 -48.49 62.95 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.416 -0.802 . . . . 0.0 110.172 -179.238 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 79.0 mtm -61.12 -40.26 93.11 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.129 -0.982 . . . . 0.0 109.81 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.495 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -59.74 -48.53 81.32 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.217 -0.927 . . . . 0.0 109.492 -179.813 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 49.1 m -69.43 -36.6 76.82 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.447 -0.783 . . . . 0.0 110.228 179.843 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -60.22 -38.92 84.84 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.009 -1.057 . . . . 0.0 110.857 -178.592 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -114.19 -0.72 13.85 Favored 'General case' 0 N--CA 1.504 2.226 0 O-C-N 121.186 -0.946 . . . . 0.0 109.702 -179.902 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.495 ' N ' ' O ' ' A' ' 23' ' ' ALA . 51.8 t30 57.63 49.26 12.8 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.516 -0.74 . . . . 0.0 110.32 179.097 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 29.9 mt -114.24 149.1 41.5 Favored Pre-proline 0 N--CA 1.501 2.12 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 179.415 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_exo -49.31 147.16 12.35 Favored 'Trans proline' 0 N--CA 1.492 1.433 0 C-N-CA 121.409 1.406 . . . . 0.0 111.511 179.376 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -44.57 -38.69 12.42 Favored 'Trans proline' 0 C--N 1.315 -1.21 0 C-N-CA 121.765 1.644 . . . . 0.0 111.42 179.459 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.421 HG11 HD11 ' B' ' 5' ' ' ILE . 66.6 t -51.0 -47.48 30.43 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.726 0 O-C-N 121.786 -0.571 . . . . 0.0 110.223 -178.561 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 40.3 t -65.89 -48.46 81.9 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.919 0 C-N-CA 118.256 -1.378 . . . . 0.0 109.727 -179.245 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.61 -45.67 82.23 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.444 -0.785 . . . . 0.0 109.787 179.916 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.436 ' NZ ' ' OE2' ' B' ' 35' ' ' GLU . 7.8 mtmp? -61.91 -36.48 81.47 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.016 -1.053 . . . . 0.0 110.146 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -60.15 -38.11 82.16 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.911 -1.118 . . . . 0.0 109.774 -178.998 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 70.1 mt -59.39 -39.97 80.41 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.465 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 179.309 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 60.4 t -62.44 -37.89 79.93 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 179.124 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.438 ' O ' ' OE1' ' A' ' 44' ' ' GLN . . . -60.43 -34.06 73.43 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.158 -0.964 . . . . 0.0 109.283 179.214 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 51.0 m -77.17 -24.24 51.48 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.981 -1.075 . . . . 0.0 109.922 -179.744 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 42.2 t -83.03 106.76 15.11 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.103 -0.998 . . . . 0.0 109.561 -179.951 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -61.76 -32.19 72.43 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.217 -0.927 . . . . 0.0 110.431 -179.943 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 25.3 mtpp -69.88 -44.1 70.45 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.081 -1.012 . . . . 0.0 111.14 -178.478 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 89.4 m -82.5 -31.87 29.06 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.8 -1.188 . . . . 0.0 109.959 179.898 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.438 ' OE1' ' O ' ' A' ' 38' ' ' ALA . 42.6 tt0 -70.11 -48.58 56.96 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.116 -0.99 . . . . 0.0 110.994 -178.754 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.6 mt -83.23 20.09 1.35 Allowed 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.004 -1.06 . . . . 0.0 110.009 -179.11 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 26.3 ttpp -85.35 127.48 34.36 Favored 'General case' 0 C--N 1.295 -1.763 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 179.081 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 132.75 -141.21 12.56 Favored Glycine 0 N--CA 1.498 2.786 0 N-CA-C 108.824 -1.71 . . . . 0.0 108.824 -179.263 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.451 ' N ' ' OE1' ' A' ' 48' ' ' GLU . 52.1 mp0 -87.78 132.81 34.02 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 120.866 -1.373 . . . . 0.0 109.529 179.779 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.443 ' HB2' ' O ' ' A' ' 48' ' ' GLU . . . 178.94 66.45 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.352 0 O-C-N 121.321 -0.862 . . . . 0.0 109.356 -179.611 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 25.2 ptt? -171.08 170.29 6.23 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.086 -1.009 . . . . 0.0 109.453 -179.911 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 73.3 t60 52.89 48.23 22.91 Favored 'General case' 0 N--CA 1.486 1.367 0 O-C-N 121.443 -0.786 . . . . 0.0 109.358 -179.913 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.428 ' H ' ' H ' ' B' ' 51' ' ' HIS . . . -83.14 -50.18 4.68 Favored Glycine 0 N--CA 1.492 2.409 0 N-CA-C 109.413 -1.475 . . . . 0.0 109.413 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 -83.29 170.32 14.75 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.159 -1.201 . . . . 0.0 109.437 179.812 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.0 t 62.39 157.57 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.82 0 O-C-N 121.507 -0.746 . . . . 0.0 109.176 -179.583 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 . . . . . 0 N--CA 1.492 1.674 0 CA-C-O 117.837 -1.078 . . . . 0.0 109.251 -179.987 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . 0.469 ' CZ ' ' CZ ' ' A' ' 1' ' ' PHE . 42.3 m-85 . . . . . 0 N--CA 1.49 1.535 0 CA-C-O 121.447 0.642 . . . . 0.0 109.599 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 43.8 mt -70.23 -39.94 74.78 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.352 -0.842 . . . . 0.0 111.192 -178.821 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -64.46 -44.68 90.31 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.785 -1.197 . . . . 0.0 110.518 -178.701 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.64 -47.22 50.56 Favored Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.672 -1.371 . . . . 0.0 109.672 -179.719 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.437 HD12 ' O ' ' B' ' 1' ' ' PHE . 80.5 mt -59.59 -38.69 76.76 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.619 -0.93 . . . . 0.0 110.112 -179.954 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 59.0 t0 -56.35 -45.96 80.19 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 120.968 -1.082 . . . . 0.0 109.448 -179.24 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -70.25 -42.7 71.85 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.133 -0.979 . . . . 0.0 108.953 178.243 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.43 -37.72 87.74 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.239 -0.913 . . . . 0.0 109.498 179.824 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 -55.68 -41.84 74.29 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.326 -0.859 . . . . 0.0 109.291 -179.279 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 80.1 tt0 -61.26 -40.07 92.7 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.024 -1.047 . . . . 0.0 108.579 178.929 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 -61.19 -42.43 98.56 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.3 -0.875 . . . . 0.0 108.907 179.17 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . 0.59 ' O ' ' N ' ' B' ' 16' ' ' HIS . 12.4 t60 -60.77 -48.27 82.58 Favored 'General case' 0 C--N 1.305 -1.331 0 O-C-N 121.373 -0.829 . . . . 0.0 109.778 179.532 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 50.0 tp10 -60.09 -41.24 92.06 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.853 -1.154 . . . . 0.0 110.846 -179.165 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -61.82 -38.77 89.41 Favored 'General case' 0 C--N 1.299 -1.629 0 O-C-N 121.108 -0.995 . . . . 0.0 112.244 -178.412 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -133.21 -1.47 3.23 Favored 'General case' 0 N--CA 1.506 2.352 0 O-C-N 121.114 -0.991 . . . . 0.0 112.92 -176.506 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.59 ' N ' ' O ' ' B' ' 12' ' ' HIS . 90.7 m-70 52.85 42.34 31.95 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 120.305 -1.497 . . . . 0.0 107.347 -177.833 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 79.4 p -61.3 155.94 19.98 Favored 'General case' 0 C--N 1.3 -1.565 0 CA-C-O 121.529 0.68 . . . . 0.0 110.701 -178.249 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 67.7 m-20 -72.55 159.93 33.11 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.226 -0.921 . . . . 0.0 109.454 -179.936 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 19' ' ' TRP . . . . . 0.515 ' NE1' ' NH1' ' B' ' 20' ' ' ARG . 19.8 p-90 -57.68 -28.99 64.28 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.098 -1.001 . . . . 0.0 109.402 179.616 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . 0.519 ' HG2' HH11 ' B' ' 20' ' ' ARG . 7.8 mtt-85 -62.49 -41.34 98.74 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.18 -0.95 . . . . 0.0 109.282 -179.466 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.7 -48.79 62.97 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.462 -0.774 . . . . 0.0 110.087 -179.483 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 79.3 mtm -60.97 -39.96 91.55 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.027 -1.045 . . . . 0.0 109.658 -179.753 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.503 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -60.01 -48.76 80.36 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.089 -1.007 . . . . 0.0 109.61 -179.94 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 44.9 m -69.73 -34.84 74.41 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.324 -0.86 . . . . 0.0 110.275 179.692 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -61.12 -39.91 91.8 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.939 -1.101 . . . . 0.0 110.471 -178.539 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -113.31 -1.12 14.34 Favored 'General case' 0 N--CA 1.502 2.172 0 O-C-N 121.186 -0.946 . . . . 0.0 109.804 -179.959 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.503 ' N ' ' O ' ' B' ' 23' ' ' ALA . 49.2 t30 58.14 49.52 11.28 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.425 -0.797 . . . . 0.0 110.375 179.121 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 29.8 mt -114.08 149.76 42.47 Favored Pre-proline 0 N--CA 1.498 1.966 0 O-C-N 121.536 -0.728 . . . . 0.0 109.086 179.149 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_exo -49.36 145.54 15.55 Favored 'Trans proline' 0 N--CA 1.491 1.338 0 C-N-CA 121.281 1.32 . . . . 0.0 111.543 179.0 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -44.26 -37.41 10.14 Favored 'Trans proline' 0 C--N 1.313 -1.298 0 C-N-CA 121.783 1.655 . . . . 0.0 111.389 179.829 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.454 HG11 HD11 ' A' ' 5' ' ' ILE . 78.4 t -51.71 -47.68 38.55 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.83 0 O-C-N 121.554 -0.716 . . . . 0.0 110.065 -178.783 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 33.7 t -65.59 -48.84 81.21 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.762 0 C-N-CA 118.379 -1.328 . . . . 0.0 109.528 -179.457 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.81 -45.89 84.32 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.315 -0.866 . . . . 0.0 109.689 -179.879 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 7.8 mtmp? -62.54 -36.3 82.18 Favored 'General case' 0 N--CA 1.484 1.241 0 O-C-N 120.935 -1.103 . . . . 0.0 110.351 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . 0.436 ' OE2' ' NZ ' ' A' ' 34' ' ' LYS . 7.8 tm-20 -60.33 -37.79 81.7 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.013 -1.054 . . . . 0.0 109.522 -178.922 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 67.6 mt -59.76 -39.8 80.78 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.277 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 179.214 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 59.3 t -62.65 -38.02 80.51 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.385 0 O-C-N 121.139 -0.976 . . . . 0.0 108.474 179.514 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . 0.58 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -60.12 -35.35 75.06 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.308 -0.87 . . . . 0.0 109.15 179.318 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 48.8 m -75.55 -24.5 56.72 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.812 -1.18 . . . . 0.0 109.858 -179.741 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 40.5 t -82.86 106.48 14.73 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.024 -1.047 . . . . 0.0 109.837 -179.773 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 -61.41 -33.19 73.27 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.546 -0.721 . . . . 0.0 110.393 -179.974 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 25.1 mtpp -69.18 -44.92 71.21 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.973 -1.08 . . . . 0.0 110.985 -178.795 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 88.1 m -81.92 -32.17 31.01 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 120.64 -1.288 . . . . 0.0 110.038 -179.854 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . 0.58 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 5.8 tt0 -69.85 -47.8 61.28 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.199 -0.938 . . . . 0.0 111.028 -178.626 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 96.9 mt -83.36 19.45 1.52 Allowed 'General case' 0 N--CA 1.5 2.06 0 O-C-N 120.914 -1.116 . . . . 0.0 110.116 -179.38 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 26.1 ttpp -84.34 127.48 34.01 Favored 'General case' 0 C--N 1.293 -1.871 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 179.513 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 132.89 -141.6 13.0 Favored Glycine 0 N--CA 1.498 2.795 0 N-CA-C 108.769 -1.732 . . . . 0.0 108.769 -179.613 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . 0.494 ' O ' ' HB2' ' B' ' 49' ' ' ALA . 51.5 mp0 -86.94 134.82 33.47 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.105 -1.232 . . . . 0.0 109.59 179.55 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . 0.494 ' HB2' ' O ' ' B' ' 48' ' ' GLU . . . 176.49 64.55 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.267 -0.896 . . . . 0.0 109.579 -179.716 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 24.7 ptt? -169.52 167.47 9.78 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.373 -0.829 . . . . 0.0 109.329 -179.939 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 51' ' ' HIS . . . . . 0.428 ' H ' ' H ' ' A' ' 52' ' ' GLY . 69.3 t60 55.51 47.63 20.55 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.545 -0.722 . . . . 0.0 109.792 179.967 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -83.17 -47.63 5.7 Favored Glycine 0 N--CA 1.496 2.678 0 N-CA-C 109.2 -1.56 . . . . 0.0 109.2 179.612 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -84.22 169.18 15.02 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.399 -1.059 . . . . 0.0 109.525 179.861 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 3.1 t 62.82 158.08 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 -179.486 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 . . . . . 0 N--CA 1.492 1.65 0 O-C-N 121.009 -1.057 . . . . 0.0 109.547 -179.51 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.563 ' O ' HD12 ' A' ' 5' ' ' ILE . 72.4 m-85 . . . . . 0 N--CA 1.494 1.751 0 CA-C-O 121.313 0.578 . . . . 0.0 110.16 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 18.9 mt -70.38 -37.75 74.6 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.165 -0.959 . . . . 0.0 111.366 -178.377 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 83.1 m-20 -61.86 -51.63 67.41 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.065 -1.022 . . . . 0.0 111.511 -178.081 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.6 -45.73 82.32 Favored Glycine 0 N--CA 1.491 2.365 0 N-CA-C 109.367 -1.493 . . . . 0.0 109.367 -179.532 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.563 HD12 ' O ' ' A' ' 1' ' ' PHE . 87.9 mt -59.1 -38.34 73.53 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.621 0 O-C-N 121.317 -1.107 . . . . 0.0 110.386 -179.807 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 60.7 t0 -54.36 -46.8 73.07 Favored 'General case' 0 C--N 1.3 -1.585 0 C-N-CA 118.612 -1.235 . . . . 0.0 109.022 -179.131 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 58.3 mttm -70.0 -40.2 75.41 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.092 -1.005 . . . . 0.0 109.217 178.599 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.71 -38.86 87.6 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.607 -0.683 . . . . 0.0 109.574 179.628 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -57.38 -40.22 77.7 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.383 -0.823 . . . . 0.0 109.64 -179.083 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -62.25 -40.54 96.52 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 120.861 -1.149 . . . . 0.0 108.807 178.899 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 32.1 tp10 -59.96 -39.73 86.61 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.371 -0.83 . . . . 0.0 109.34 179.405 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.535 ' O ' ' N ' ' A' ' 16' ' ' HIS . 14.2 t60 -63.19 -46.7 85.86 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.172 -0.955 . . . . 0.0 109.834 179.854 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -61.14 -40.69 94.79 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.214 -0.929 . . . . 0.0 110.477 -179.198 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.4 mtpp -61.32 -36.6 80.59 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.628 -0.67 . . . . 0.0 112.435 -178.208 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -136.81 -1.33 2.24 Favored 'General case' 0 N--CA 1.509 2.525 0 O-C-N 121.015 -1.053 . . . . 0.0 112.452 -177.279 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.535 ' N ' ' O ' ' A' ' 12' ' ' HIS . 92.6 m-70 52.87 43.49 31.49 Favored 'General case' 0 N--CA 1.503 2.22 0 O-C-N 120.091 -1.63 . . . . 0.0 107.531 -177.462 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 76.6 p -63.66 160.22 17.37 Favored 'General case' 0 N--CA 1.495 1.811 0 CA-C-O 121.399 0.618 . . . . 0.0 110.905 -178.37 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -75.65 158.08 32.85 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.964 -1.085 . . . . 0.0 109.091 179.454 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 47.6 p-90 -57.54 -27.47 62.64 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.202 -0.936 . . . . 0.0 109.593 179.967 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.409 HH11 ' HG2' ' A' ' 20' ' ' ARG . 60.5 mtt-85 -63.11 -40.66 98.26 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.306 -0.871 . . . . 0.0 110.911 179.484 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.33 -50.39 53.65 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.315 -0.865 . . . . 0.0 109.337 -179.506 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 59.5 mtm -60.44 -39.87 89.08 Favored 'General case' 0 C--N 1.298 -1.633 0 C-N-CA 119.561 -0.856 . . . . 0.0 109.318 -179.958 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.458 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -57.71 -48.34 79.86 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 119.158 -1.017 . . . . 0.0 108.628 179.51 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 19.9 m -70.88 -35.34 72.31 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.215 -0.928 . . . . 0.0 109.897 179.676 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 56.8 t0 -58.86 -40.86 85.58 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.928 -1.108 . . . . 0.0 110.23 -178.859 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -112.41 0.94 15.77 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 121.218 -0.926 . . . . 0.0 110.511 -179.988 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.458 ' N ' ' O ' ' A' ' 23' ' ' ALA . 5.7 t-20 59.67 49.75 7.93 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.175 -0.953 . . . . 0.0 109.819 179.708 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 76.6 mt -117.0 152.43 48.71 Favored Pre-proline 0 N--CA 1.501 2.1 0 O-C-N 121.721 -0.612 . . . . 0.0 109.377 -179.666 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo -61.71 146.61 96.59 Favored 'Trans proline' 0 C--N 1.308 -1.598 0 C-N-CA 121.408 1.405 . . . . 0.0 111.84 -179.276 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.401 ' O ' ' CG ' ' A' ' 34' ' ' LYS . 34.1 Cg_exo -41.4 -36.46 2.79 Favored 'Trans proline' 0 C--N 1.316 -1.17 0 C-N-CA 122.258 1.972 . . . . 0.0 112.004 -179.803 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 87.5 t -53.57 -49.67 54.32 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.671 0 O-C-N 121.224 -0.922 . . . . 0.0 110.454 -178.525 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.445 HG13 HD11 ' A' ' 5' ' ' ILE . 60.0 t -66.14 -49.48 75.92 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.748 0 C-N-CA 118.841 -1.144 . . . . 0.0 109.31 -179.105 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.77 -41.09 92.46 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.138 -0.976 . . . . 0.0 110.257 179.738 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.401 ' CG ' ' O ' ' A' ' 30' ' ' PRO . 2.9 mmmm -62.65 -39.12 92.9 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 120.776 -1.202 . . . . 0.0 110.053 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.1 tm-20 -60.84 -38.61 86.08 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 120.999 -1.063 . . . . 0.0 110.091 -178.917 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 60.3 mt -58.98 -39.94 79.36 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.387 0 C-N-CA 119.079 -1.048 . . . . 0.0 108.903 -179.715 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 93.5 t -63.47 -40.06 87.64 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 120.809 -1.182 . . . . 0.0 108.933 179.107 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.06 -29.94 70.04 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.507 -0.746 . . . . 0.0 109.742 179.812 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 68.1 m -78.01 -26.22 48.39 Favored 'General case' 0 C--N 1.298 -1.668 0 O-C-N 121.097 -1.002 . . . . 0.0 109.718 -179.161 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 28.3 t -82.02 104.32 12.29 Favored 'General case' 0 N--CA 1.489 1.498 0 CA-C-O 121.754 0.788 . . . . 0.0 109.249 179.89 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -60.49 -30.31 69.62 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.87 -0.519 . . . . 0.0 110.543 -179.121 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 57.3 mttp -69.94 -40.33 75.55 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.278 -0.889 . . . . 0.0 110.768 -178.858 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 66.8 m -84.01 -24.67 30.44 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 120.66 -1.275 . . . . 0.0 109.643 179.916 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -75.32 -67.88 0.61 Allowed 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.056 -1.027 . . . . 0.0 109.65 -179.496 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 75.7 mt -82.31 109.76 16.86 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 108.817 -0.809 . . . . 0.0 108.817 -179.897 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.495 ' O ' ' N ' ' A' ' 48' ' ' GLU . 78.7 tttt -91.78 148.6 22.12 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.46 -0.775 . . . . 0.0 109.083 179.625 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -47.7 -12.84 0.14 Allowed Glycine 0 N--CA 1.494 2.546 0 C-N-CA 119.672 -1.251 . . . . 0.0 110.35 -179.407 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.495 ' N ' ' O ' ' A' ' 46' ' ' LYS . 91.8 mt-10 -78.35 -10.41 59.67 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 120.683 -1.48 . . . . 0.0 109.254 179.925 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -76.91 -23.66 52.49 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.922 -1.111 . . . . 0.0 108.856 179.814 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 60.8 mtt -99.09 146.16 26.38 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.53 -0.731 . . . . 0.0 109.265 -179.99 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 61.1 t60 51.76 50.09 19.43 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.541 -0.724 . . . . 0.0 109.634 -179.389 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -93.56 -44.34 3.72 Favored Glycine 0 N--CA 1.493 2.491 0 N-CA-C 109.985 -1.246 . . . . 0.0 109.985 179.898 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -97.41 -168.25 1.66 Allowed 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.273 -1.133 . . . . 0.0 109.602 -179.848 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 11.1 t 60.07 158.37 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.935 0 O-C-N 121.169 -0.957 . . . . 0.0 109.607 -179.936 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 38.0 t0 . . . . . 0 N--CA 1.497 1.914 0 CA-C-O 118.06 -0.971 . . . . 0.0 109.804 -179.86 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . 0.481 ' O ' HD12 ' B' ' 5' ' ' ILE . 68.6 m-85 . . . . . 0 N--CA 1.49 1.567 0 CA-C-O 121.484 0.659 . . . . 0.0 109.693 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 18.7 mt -69.88 -37.75 76.15 Favored 'General case' 0 C--N 1.299 -1.625 0 O-C-N 121.156 -0.965 . . . . 0.0 111.999 -178.192 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -61.88 -52.16 65.24 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 120.991 -1.068 . . . . 0.0 111.424 -177.785 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.18 -43.36 89.77 Favored Glycine 0 N--CA 1.495 2.579 0 N-CA-C 109.734 -1.347 . . . . 0.0 109.734 -179.334 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.481 HD12 ' O ' ' B' ' 1' ' ' PHE . 92.3 mt -59.81 -38.53 76.53 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.427 -1.043 . . . . 0.0 109.211 179.512 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -53.45 -47.91 69.28 Favored 'General case' 0 C--N 1.303 -1.449 0 C-N-CA 118.665 -1.214 . . . . 0.0 108.96 -179.573 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 59.6 mttm -69.79 -41.32 75.23 Favored 'General case' 0 C--N 1.303 -1.437 0 C-N-CA 119.125 -1.03 . . . . 0.0 109.081 179.534 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.46 -37.52 85.31 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.417 -0.802 . . . . 0.0 109.549 179.662 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . 0.472 ' N ' ' O ' ' B' ' 5' ' ' ILE . 56.9 tt0 -57.61 -41.32 81.05 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.225 -0.922 . . . . 0.0 109.022 -178.567 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.38 -41.12 93.1 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 120.979 -1.076 . . . . 0.0 108.913 178.855 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 31.7 tp10 -60.1 -40.82 90.98 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.331 -0.856 . . . . 0.0 108.896 -179.699 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . 0.527 ' O ' ' N ' ' B' ' 16' ' ' HIS . 15.6 t60 -61.28 -47.32 86.54 Favored 'General case' 0 C--N 1.3 -1.552 0 C-N-CA 119.623 -0.831 . . . . 0.0 110.14 179.384 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -60.37 -41.75 94.39 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.329 -0.857 . . . . 0.0 110.18 -178.777 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 23.6 mtpp -60.79 -36.52 79.23 Favored 'General case' 0 N--CA 1.495 1.8 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 -178.337 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -136.96 -3.17 2.03 Favored 'General case' 0 N--CA 1.512 2.649 0 O-C-N 120.792 -1.193 . . . . 0.0 112.4 -177.446 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.527 ' N ' ' O ' ' B' ' 12' ' ' HIS . 91.6 m-70 55.88 42.02 29.35 Favored 'General case' 0 N--CA 1.502 2.174 0 N-CA-C 107.421 -1.325 . . . . 0.0 107.421 -178.201 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 81.7 p -63.26 158.67 19.59 Favored 'General case' 0 N--CA 1.491 1.576 0 CA-C-O 121.618 0.723 . . . . 0.0 110.935 -178.311 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 -74.08 157.41 36.11 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.066 -1.021 . . . . 0.0 109.115 179.624 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 50.5 p-90 -56.69 -27.04 58.12 Favored 'General case' 0 C--N 1.299 -1.604 0 C-N-CA 119.781 -0.768 . . . . 0.0 109.556 179.564 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . 0.407 HH11 ' HG2' ' B' ' 20' ' ' ARG . 58.2 mtt-85 -63.48 -40.05 96.06 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.29 -0.881 . . . . 0.0 110.983 179.509 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.15 -49.17 59.24 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.193 -0.942 . . . . 0.0 109.52 -179.004 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 61.0 mtm -61.04 -40.24 92.87 Favored 'General case' 0 C--N 1.3 -1.582 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 179.707 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.482 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -57.69 -49.59 76.02 Favored 'General case' 0 C--N 1.304 -1.391 0 C-N-CA 118.909 -1.116 . . . . 0.0 108.734 179.015 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 19.8 m -69.72 -34.15 73.47 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.689 -0.632 . . . . 0.0 109.971 179.326 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -60.68 -43.14 98.07 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.971 -1.081 . . . . 0.0 110.26 -179.591 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -110.78 1.83 18.0 Favored 'General case' 0 N--CA 1.503 2.197 0 O-C-N 120.974 -1.079 . . . . 0.0 110.523 -179.625 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.482 ' N ' ' O ' ' B' ' 23' ' ' ALA . 6.9 t-20 58.09 51.24 8.95 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.923 -1.11 . . . . 0.0 109.528 179.051 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 78.4 mt -117.67 151.87 49.03 Favored Pre-proline 0 N--CA 1.501 2.106 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 -179.565 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_endo -60.59 146.16 97.54 Favored 'Trans proline' 0 N--CA 1.491 1.332 0 C-N-CA 121.595 1.53 . . . . 0.0 111.261 -179.833 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . 0.419 ' O ' ' CG ' ' B' ' 34' ' ' LYS . 31.5 Cg_exo -42.19 -34.95 3.11 Favored 'Trans proline' 0 N--CA 1.488 1.193 0 C-N-CA 122.235 1.957 . . . . 0.0 111.785 -179.735 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 92.9 t -53.46 -48.26 57.96 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.707 0 O-C-N 121.205 -0.934 . . . . 0.0 110.744 -178.385 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . 0.475 HG13 HD11 ' B' ' 5' ' ' ILE . 60.2 t -68.39 -47.45 77.57 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.693 0 C-N-CA 118.807 -1.157 . . . . 0.0 109.403 -178.906 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.11 -41.16 86.68 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.118 -0.988 . . . . 0.0 109.704 179.629 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.419 ' CG ' ' O ' ' B' ' 30' ' ' PRO . 2.7 mmmm -62.34 -39.39 92.93 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.361 -0.837 . . . . 0.0 109.932 179.774 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 7.7 tm-20 -60.61 -39.42 88.07 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.073 -1.017 . . . . 0.0 110.159 -178.658 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 57.8 mt -59.19 -39.54 78.94 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.754 0 O-C-N 120.611 -1.305 . . . . 0.0 109.27 179.941 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 91.4 t -63.6 -40.32 88.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 C-N-CA 118.911 -1.115 . . . . 0.0 108.833 179.555 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . 0.566 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -60.57 -30.23 69.67 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.482 -0.761 . . . . 0.0 109.551 179.403 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 49.6 m -78.57 -24.27 45.64 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 120.593 -1.317 . . . . 0.0 109.845 -179.742 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 28.5 t -81.88 104.4 12.23 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.003 -1.06 . . . . 0.0 108.768 179.222 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 -60.99 -31.1 70.71 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.566 -0.709 . . . . 0.0 110.313 -178.934 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 58.2 mttp -69.58 -40.89 76.44 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.251 -0.906 . . . . 0.0 110.643 -178.913 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 63.1 m -83.16 -23.26 33.01 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 120.586 -1.321 . . . . 0.0 109.437 179.772 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . 0.566 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 16.3 tt0 -76.33 -69.02 0.53 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.96 -1.087 . . . . 0.0 109.846 -179.393 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 84.0 mt -80.79 112.24 17.98 Favored 'General case' 0 C--N 1.299 -1.591 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 -179.898 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . 0.536 ' O ' ' N ' ' B' ' 48' ' ' GLU . 78.1 tttt -94.4 148.15 22.52 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 120.972 -1.08 . . . . 0.0 108.39 -179.896 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -45.82 -14.57 0.08 OUTLIER Glycine 0 N--CA 1.491 2.323 0 C-N-CA 119.77 -1.205 . . . . 0.0 110.265 -178.911 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . 0.536 ' N ' ' O ' ' B' ' 46' ' ' LYS . 90.9 mt-10 -77.23 -11.57 59.84 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.922 -1.34 . . . . 0.0 110.287 -179.671 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -77.0 -21.96 53.87 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.731 -1.231 . . . . 0.0 109.059 179.723 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 63.7 mtt -100.09 142.39 31.63 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.339 -0.851 . . . . 0.0 109.313 179.624 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 59.3 t60 55.06 49.88 16.57 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.702 -0.624 . . . . 0.0 109.542 -179.248 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -92.66 -45.4 3.7 Favored Glycine 0 N--CA 1.496 2.642 0 N-CA-C 109.122 -1.591 . . . . 0.0 109.122 179.627 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -96.24 -169.14 1.86 Allowed 'General case' 0 N--CA 1.504 2.271 0 O-C-N 121.515 -0.991 . . . . 0.0 109.832 -179.844 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 6.6 t 60.44 161.54 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 121.488 -0.757 . . . . 0.0 109.103 -179.626 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 39.7 t0 . . . . . 0 N--CA 1.49 1.564 0 CA-C-O 117.809 -1.091 . . . . 0.0 109.835 -178.928 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 . . . . . 0 N--CA 1.493 1.684 0 CA-C-O 121.207 0.527 . . . . 0.0 110.223 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 19.8 mt -70.37 -40.5 73.96 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.371 -0.831 . . . . 0.0 110.819 -178.243 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -67.44 -46.37 73.33 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.77 -1.207 . . . . 0.0 110.677 -179.2 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.01 -49.7 45.78 Favored Glycine 0 N--CA 1.496 2.677 0 C-N-CA 120.049 -1.072 . . . . 0.0 110.433 -179.04 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 81.6 mt -58.58 -37.91 67.74 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.763 0 O-C-N 121.302 -1.117 . . . . 0.0 110.057 -179.648 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -54.65 -46.85 74.06 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 120.708 -1.245 . . . . 0.0 108.566 -179.5 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 46.9 mtpt -69.32 -45.38 69.62 Favored 'General case' 0 C--N 1.302 -1.482 0 C-N-CA 119.27 -0.972 . . . . 0.0 109.276 179.167 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.42 -36.87 85.56 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.429 -0.795 . . . . 0.0 109.761 -179.689 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -56.66 -41.29 76.97 Favored 'General case' 0 C--N 1.307 -1.239 0 C-N-CA 119.483 -0.887 . . . . 0.0 108.833 -179.573 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -61.59 -42.82 99.41 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 120.753 -1.217 . . . . 0.0 108.749 179.076 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 34.5 tp10 -61.06 -41.02 95.83 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.24 -0.912 . . . . 0.0 108.59 179.304 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.535 ' O ' ' N ' ' A' ' 16' ' ' HIS . 13.0 t60 -61.01 -48.03 83.7 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.231 -0.918 . . . . 0.0 110.259 179.913 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -59.73 -42.09 92.35 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.226 -0.921 . . . . 0.0 110.443 -178.858 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -61.85 -30.32 70.77 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.293 -0.88 . . . . 0.0 112.806 -178.79 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -139.48 -8.12 1.29 Allowed 'General case' 0 N--CA 1.509 2.495 0 O-C-N 120.54 -1.35 . . . . 0.0 112.244 -177.342 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.535 ' N ' ' O ' ' A' ' 12' ' ' HIS . 91.6 m-70 55.5 41.92 30.33 Favored 'General case' 0 N--CA 1.494 1.766 0 N-CA-C 107.349 -1.352 . . . . 0.0 107.349 -177.424 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 99.1 p -63.21 157.32 22.86 Favored 'General case' 0 C--N 1.305 -1.336 0 CA-C-O 121.426 0.632 . . . . 0.0 109.751 -179.338 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 74.3 m-20 -72.6 159.48 33.82 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.237 -0.914 . . . . 0.0 108.995 179.651 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 40.2 p-90 -57.81 -29.51 64.96 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.16 -0.963 . . . . 0.0 110.186 -179.593 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 81.7 mtm180 -63.46 -40.77 98.0 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.004 -1.06 . . . . 0.0 110.512 -179.857 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.03 -46.94 66.68 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 120.98 -1.075 . . . . 0.0 109.463 -179.113 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 76.9 mtm -61.66 -40.53 95.26 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.429 -0.794 . . . . 0.0 109.68 179.251 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.475 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -58.58 -46.27 87.3 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.175 -0.953 . . . . 0.0 108.968 -179.673 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 67.9 m -70.32 -35.65 73.78 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.28 -0.887 . . . . 0.0 109.414 178.881 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 52.0 t0 -61.02 -40.78 94.86 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.343 -0.848 . . . . 0.0 110.112 -179.413 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -107.95 -0.6 21.29 Favored 'General case' 0 N--CA 1.504 2.24 0 O-C-N 121.467 -0.77 . . . . 0.0 110.626 -179.9 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.475 ' N ' ' O ' ' A' ' 23' ' ' ALA . 10.3 t-20 57.74 45.75 18.33 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.361 -0.837 . . . . 0.0 109.615 -179.848 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 46.9 mt -115.95 151.32 46.35 Favored Pre-proline 0 N--CA 1.504 2.242 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 179.685 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -61.53 151.49 79.6 Favored 'Trans proline' 0 N--CA 1.493 1.47 0 C-N-CA 121.902 1.735 . . . . 0.0 111.77 -179.383 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_exo -43.82 -34.84 6.29 Favored 'Trans proline' 0 C--N 1.315 -1.219 0 C-N-CA 122.059 1.839 . . . . 0.0 111.642 179.896 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 71.8 t -52.03 -49.83 37.25 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.775 0 O-C-N 121.376 -0.827 . . . . 0.0 110.425 -178.328 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 88.9 t -68.81 -49.31 65.06 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.623 0 C-N-CA 118.896 -1.122 . . . . 0.0 109.782 -179.283 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.44 -43.42 94.36 Favored 'General case' 0 C--N 1.3 -1.568 0 C-N-CA 119.614 -0.835 . . . . 0.0 110.237 -179.791 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 26.4 mtpp -61.71 -36.33 80.63 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 120.701 -1.25 . . . . 0.0 110.238 179.963 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.3 tm-20 -62.34 -38.64 90.28 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.051 -1.031 . . . . 0.0 110.24 -178.726 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 21.1 mt -60.63 -40.64 85.29 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.129 -0.982 . . . . 0.0 109.043 179.948 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 98.7 t -62.73 -39.0 83.13 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.452 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 179.261 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.16 -33.82 72.72 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.821 -0.549 . . . . 0.0 109.663 179.748 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 20.2 m -78.04 -25.41 47.78 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.053 -1.029 . . . . 0.0 109.456 -179.499 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 47.0 t -82.15 99.96 9.54 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.1 -1.0 . . . . 0.0 109.137 179.835 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -60.46 -29.81 69.27 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.34 -0.85 . . . . 0.0 109.976 -179.778 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 52.6 mtpt -69.1 -39.21 79.13 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.141 -0.974 . . . . 0.0 110.545 -178.926 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 59.9 m -84.95 -22.05 29.35 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.736 -1.227 . . . . 0.0 108.984 179.298 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -73.39 -78.04 0.1 Allowed 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.211 -0.931 . . . . 0.0 109.009 -179.839 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 49.3 mt -79.9 89.58 5.29 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 120.727 -1.233 . . . . 0.0 108.397 178.924 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 20.6 pttm -92.41 -6.11 50.67 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.629 -0.669 . . . . 0.0 109.801 -179.817 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 159.67 -171.5 36.08 Favored Glycine 0 N--CA 1.496 2.661 0 N-CA-C 110.181 -1.168 . . . . 0.0 110.181 179.535 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 47.45 -129.98 1.56 Allowed 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.546 -0.973 . . . . 0.0 109.361 179.488 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.462 ' O ' ' O ' ' B' ' 49' ' ' ALA . . . 53.98 96.38 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.001 -1.062 . . . . 0.0 109.551 179.943 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 21.5 mmt 55.61 43.67 27.84 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.089 -1.007 . . . . 0.0 110.615 179.154 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.495 ' C ' ' H ' ' A' ' 53' ' ' GLN . 38.7 t-80 -114.27 28.28 8.86 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.406 -0.809 . . . . 0.0 109.572 179.807 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -72.51 19.42 1.13 Allowed Glycine 0 N--CA 1.491 2.309 0 N-CA-C 109.522 -1.431 . . . . 0.0 109.522 -179.941 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.495 ' H ' ' C ' ' A' ' 51' ' ' HIS . 93.9 mt-30 54.58 46.43 24.83 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.422 -1.046 . . . . 0.0 109.412 -179.88 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.701 HG13 ' N ' ' A' ' 55' ' ' ASP . 0.4 OUTLIER 64.84 -169.53 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.927 0 O-C-N 121.706 -0.621 . . . . 0.0 109.574 179.65 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.701 ' N ' HG13 ' A' ' 54' ' ' VAL . 56.6 t0 . . . . . 0 N--CA 1.491 1.609 0 CA-C-O 118.115 -0.945 . . . . 0.0 109.228 -179.837 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 . . . . . 0 N--CA 1.492 1.641 0 CA-C-O 121.424 0.63 . . . . 0.0 110.103 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 22.1 mt -70.88 -41.21 71.64 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.306 -0.871 . . . . 0.0 110.784 -178.144 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 53.5 t0 -67.51 -45.98 74.22 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.747 -1.221 . . . . 0.0 110.408 -179.149 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.8 -50.08 44.43 Favored Glycine 0 N--CA 1.494 2.504 0 C-N-CA 119.993 -1.098 . . . . 0.0 110.653 -179.336 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 83.4 mt -58.67 -38.07 69.35 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.568 0 O-C-N 121.254 -1.144 . . . . 0.0 109.771 -179.6 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 62.5 t0 -54.46 -47.12 73.31 Favored 'General case' 0 C--N 1.302 -1.459 0 C-N-CA 118.563 -1.255 . . . . 0.0 108.921 -179.531 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 47.1 mtpt -69.54 -44.37 71.07 Favored 'General case' 0 N--CA 1.487 1.425 0 C-N-CA 119.309 -0.956 . . . . 0.0 109.291 178.93 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.61 -37.83 88.91 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.154 -0.966 . . . . 0.0 109.611 -179.816 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -56.28 -40.99 75.17 Favored 'General case' 0 N--CA 1.484 1.249 0 O-C-N 121.264 -0.897 . . . . 0.0 109.16 -179.581 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -61.45 -43.12 99.43 Favored 'General case' 0 C--N 1.3 -1.555 0 C-N-CA 118.592 -1.243 . . . . 0.0 108.605 178.624 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 33.4 tp10 -60.73 -41.98 96.41 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.224 -0.923 . . . . 0.0 108.917 179.288 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . 0.541 ' O ' ' N ' ' B' ' 16' ' ' HIS . 12.5 t60 -60.74 -47.27 87.04 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.332 -0.855 . . . . 0.0 110.281 179.899 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -60.48 -41.1 93.55 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.015 -1.053 . . . . 0.0 110.508 -178.988 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -62.71 -29.81 70.94 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.512 -0.742 . . . . 0.0 112.7 -178.679 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -139.81 -8.21 1.23 Allowed 'General case' 0 N--CA 1.509 2.489 0 O-C-N 120.669 -1.27 . . . . 0.0 112.143 -177.133 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.541 ' N ' ' O ' ' B' ' 12' ' ' HIS . 90.8 m-70 55.67 42.75 29.06 Favored 'General case' 0 N--CA 1.492 1.642 0 N-CA-C 107.229 -1.397 . . . . 0.0 107.229 -177.851 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 93.6 p -64.56 156.46 29.8 Favored 'General case' 0 C--N 1.304 -1.393 0 CA-C-O 121.393 0.616 . . . . 0.0 109.832 -179.101 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 69.7 m-20 -72.01 158.85 35.22 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.029 -1.044 . . . . 0.0 108.817 179.653 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 40.9 p-90 -57.58 -29.1 64.18 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.239 -0.913 . . . . 0.0 110.257 -179.62 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 82.2 mtm180 -64.05 -40.56 96.57 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 120.925 -1.109 . . . . 0.0 110.477 -179.905 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.88 -46.12 69.23 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 120.856 -1.153 . . . . 0.0 109.496 -179.538 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 77.2 mtm -63.09 -39.76 95.65 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.88 -1.137 . . . . 0.0 109.792 179.58 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.479 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -58.59 -46.28 87.29 Favored 'General case' 0 N--CA 1.491 1.618 0 C-N-CA 119.432 -0.907 . . . . 0.0 108.639 -179.862 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 67.9 m -69.99 -36.87 75.49 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.232 -0.918 . . . . 0.0 109.394 179.365 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 51.1 t0 -60.03 -41.2 91.72 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.449 -0.782 . . . . 0.0 110.346 -179.438 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -107.88 -0.31 21.58 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.266 -0.896 . . . . 0.0 110.168 -179.676 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.479 ' N ' ' O ' ' B' ' 23' ' ' ALA . 10.4 t-20 57.96 44.83 19.07 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.269 -0.895 . . . . 0.0 109.456 179.917 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 49.9 mt -114.95 151.45 45.54 Favored Pre-proline 0 N--CA 1.498 1.938 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 179.5 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_endo -61.55 150.45 85.3 Favored 'Trans proline' 0 N--CA 1.495 1.601 0 C-N-CA 121.936 1.757 . . . . 0.0 112.031 -179.531 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 27.2 Cg_exo -42.93 -34.61 3.87 Favored 'Trans proline' 0 C--N 1.312 -1.379 0 C-N-CA 122.023 1.815 . . . . 0.0 111.6 179.685 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 75.8 t -52.9 -49.85 46.36 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.563 0 O-C-N 121.334 -0.854 . . . . 0.0 110.335 -178.572 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 61.5 t -68.6 -49.57 63.86 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.813 0 C-N-CA 118.506 -1.278 . . . . 0.0 109.811 -179.204 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.45 -43.23 94.94 Favored 'General case' 0 C--N 1.304 -1.375 0 C-N-CA 119.593 -0.843 . . . . 0.0 110.24 -179.752 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -61.67 -36.82 81.94 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.614 -1.304 . . . . 0.0 110.258 179.836 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.4 tm-20 -61.3 -39.07 89.1 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 120.947 -1.096 . . . . 0.0 110.452 -178.61 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 22.4 mt -60.42 -40.73 85.01 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.224 -0.923 . . . . 0.0 109.072 -179.971 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 94.7 t -62.2 -39.44 83.99 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.395 0 N-CA-C 108.431 -0.951 . . . . 0.0 108.431 179.471 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . 0.428 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -60.16 -33.48 72.24 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.717 -0.614 . . . . 0.0 109.71 179.739 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 22.2 m -77.88 -24.77 48.38 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.383 -0.823 . . . . 0.0 109.505 -179.835 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 46.2 t -83.58 99.53 10.23 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.367 -0.833 . . . . 0.0 109.089 179.846 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 92.7 m-20 -60.1 -29.95 68.93 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.126 -0.984 . . . . 0.0 109.873 -179.834 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 50.6 mtpt -68.71 -38.65 80.4 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.196 -0.94 . . . . 0.0 110.578 -178.803 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 58.9 m -85.74 -21.01 28.44 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 120.672 -1.268 . . . . 0.0 109.231 179.349 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . 0.428 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 17.7 tt0 -74.37 -77.64 0.11 Allowed 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.273 -0.892 . . . . 0.0 108.897 -179.719 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 47.0 mt -80.6 89.37 5.69 Favored 'General case' 0 N--CA 1.486 1.335 0 O-C-N 121.052 -1.03 . . . . 0.0 108.371 179.092 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 20.8 pttm -92.29 -5.66 51.87 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.39 -0.819 . . . . 0.0 109.816 -179.874 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 159.51 -170.75 35.82 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.865 -1.294 . . . . 0.0 109.865 179.805 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 45.79 -130.71 1.14 Allowed 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.347 -1.09 . . . . 0.0 109.879 -179.948 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . 0.462 ' O ' ' O ' ' A' ' 49' ' ' ALA . . . 54.27 96.74 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.14 -0.975 . . . . 0.0 109.309 -179.948 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 22.4 mmt 55.58 44.0 27.37 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.539 -0.725 . . . . 0.0 110.189 179.496 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 51' ' ' HIS . . . . . 0.498 ' C ' ' H ' ' B' ' 53' ' ' GLN . 40.5 t-80 -114.25 28.29 8.86 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.395 -0.816 . . . . 0.0 109.323 179.56 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -71.68 18.37 1.06 Allowed Glycine 0 N--CA 1.49 2.257 0 N-CA-C 109.801 -1.32 . . . . 0.0 109.801 179.941 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . 0.498 ' H ' ' C ' ' B' ' 51' ' ' HIS . 93.6 mt-30 55.92 43.91 26.63 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.559 -0.965 . . . . 0.0 109.479 -179.717 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.693 HG13 ' N ' ' B' ' 55' ' ' ASP . 0.4 OUTLIER 67.06 -169.73 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.875 0 CA-C-O 121.545 0.688 . . . . 0.0 109.439 179.921 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.693 ' N ' HG13 ' B' ' 54' ' ' VAL . 53.9 t0 . . . . . 0 N--CA 1.491 1.584 0 CA-C-O 117.974 -1.012 . . . . 0.0 109.042 179.672 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.505 ' CE2' ' CE2' ' B' ' 1' ' ' PHE . 34.1 m-85 . . . . . 0 N--CA 1.495 1.786 0 CA-C-O 121.676 0.75 . . . . 0.0 109.816 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 44.3 mt -66.7 -36.55 82.76 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.354 -0.841 . . . . 0.0 111.423 -177.918 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 53.7 t0 -61.62 -48.54 80.41 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.958 -1.089 . . . . 0.0 109.861 -179.059 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.3 -43.17 80.45 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 110.046 -1.221 . . . . 0.0 110.046 -179.655 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 74.6 mt -61.48 -39.99 84.85 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.739 0 O-C-N 121.508 -0.995 . . . . 0.0 110.378 -179.546 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -57.88 -47.18 83.52 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 120.96 -1.087 . . . . 0.0 109.601 -179.132 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -69.01 -39.89 79.03 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.133 -0.979 . . . . 0.0 109.226 179.338 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.38 -39.3 85.62 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.686 -0.634 . . . . 0.0 109.953 179.954 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 10.9 tm0? -56.37 -40.85 75.22 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 119.278 -0.969 . . . . 0.0 109.248 -179.65 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -61.45 -42.29 98.53 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.953 -1.092 . . . . 0.0 109.001 179.43 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.0 tp10 -60.69 -40.3 91.69 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 179.598 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.572 ' O ' ' N ' ' A' ' 16' ' ' HIS . 14.2 t60 -60.78 -47.71 85.09 Favored 'General case' 0 N--CA 1.486 1.371 0 O-C-N 121.527 -0.733 . . . . 0.0 110.227 179.528 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -60.4 -40.79 92.24 Favored 'General case' 0 C--N 1.294 -1.815 0 O-C-N 121.047 -1.033 . . . . 0.0 110.057 -178.684 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 51.5 mtpt -62.86 -33.63 75.67 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.761 -0.587 . . . . 0.0 112.549 -177.995 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -138.94 -2.18 1.72 Allowed 'General case' 0 N--CA 1.509 2.476 0 O-C-N 120.953 -1.092 . . . . 0.0 112.241 -177.463 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.572 ' N ' ' O ' ' A' ' 12' ' ' HIS . 91.0 m-70 52.56 42.16 31.32 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 120.183 -1.573 . . . . 0.0 107.816 -177.598 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 89.8 p -62.41 159.35 15.62 Favored 'General case' 0 C--N 1.298 -1.646 0 C-N-CA 119.834 -0.746 . . . . 0.0 110.365 -178.572 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 22.9 m120 -75.02 158.21 33.59 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.61 -0.681 . . . . 0.0 109.532 179.664 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 36.1 p-90 -57.18 -30.04 64.17 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.003 -1.06 . . . . 0.0 110.098 -179.762 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -63.64 -39.85 95.37 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.512 -1.367 . . . . 0.0 109.255 179.43 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.67 -50.16 53.28 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.375 -0.828 . . . . 0.0 109.619 -179.863 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 78.0 mtm -60.38 -39.87 88.8 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.11 -0.994 . . . . 0.0 109.485 -179.843 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.5 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -60.39 -44.45 95.66 Favored 'General case' 0 N--CA 1.489 1.507 0 C-N-CA 119.293 -0.963 . . . . 0.0 109.182 -179.673 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 31.0 m -70.08 -38.45 75.72 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.506 -0.746 . . . . 0.0 110.222 -179.694 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -59.5 -40.24 86.42 Favored 'General case' 0 C--N 1.297 -1.692 0 C-N-CA 119.306 -0.958 . . . . 0.0 110.333 -177.972 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -110.87 -3.22 15.76 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.512 -0.742 . . . . 0.0 110.326 -179.132 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.5 ' N ' ' O ' ' A' ' 23' ' ' ALA . 1.6 t-20 58.87 49.13 10.21 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.557 -0.714 . . . . 0.0 110.145 179.389 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 46.8 mt -112.91 146.31 34.84 Favored Pre-proline 0 N--CA 1.505 2.286 0 O-C-N 121.101 -0.999 . . . . 0.0 109.003 179.561 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -46.04 147.14 3.75 Favored 'Trans proline' 0 N--CA 1.489 1.239 0 C-N-CA 120.951 1.101 . . . . 0.0 111.466 179.082 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -44.36 -40.2 12.95 Favored 'Trans proline' 0 C--N 1.314 -1.253 0 C-N-CA 121.954 1.77 . . . . 0.0 111.842 178.585 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.452 HG21 ' CD1' ' B' ' 5' ' ' ILE . 57.8 t -51.8 -46.54 39.82 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 121.4 -0.813 . . . . 0.0 110.361 -178.572 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 45.4 t -65.16 -50.29 74.77 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.885 0 C-N-CA 117.886 -1.525 . . . . 0.0 108.543 -178.737 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.49 -46.9 84.0 Favored 'General case' 0 C--N 1.3 -1.55 0 C-N-CA 120.07 -0.652 . . . . 0.0 110.307 179.545 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 41.3 mtmt -60.84 -36.62 79.58 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.007 -1.058 . . . . 0.0 110.182 179.919 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.7 tm-20 -60.48 -37.18 80.21 Favored 'General case' 0 C--N 1.305 -1.355 0 C-N-CA 119.242 -0.983 . . . . 0.0 108.89 -179.27 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 68.0 mt -59.77 -40.76 83.39 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.491 0 O-C-N 121.166 -0.959 . . . . 0.0 108.832 178.851 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 92.0 t -62.17 -39.66 84.75 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.465 0 O-C-N 121.041 -1.037 . . . . 0.0 108.517 179.317 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.18 -32.11 69.62 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.43 -0.793 . . . . 0.0 109.257 179.67 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 30.7 m -77.8 -30.1 51.08 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.99 -1.069 . . . . 0.0 110.026 -179.486 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 43.1 t -83.11 104.1 13.04 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.454 -0.778 . . . . 0.0 109.764 179.709 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 84.4 m-20 -61.61 -30.4 70.67 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.352 -0.843 . . . . 0.0 110.823 -179.699 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 64.4 mttp -68.9 -40.25 79.24 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.968 -1.083 . . . . 0.0 110.506 -178.656 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 90.7 m -88.02 -21.01 25.03 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 120.737 -1.227 . . . . 0.0 110.105 -179.918 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -73.48 -66.18 0.72 Allowed 'General case' 0 C--N 1.298 -1.668 0 C-N-CA 119.531 -0.867 . . . . 0.0 109.695 -178.285 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 35.4 mt -80.2 103.99 10.45 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.012 -1.055 . . . . 0.0 108.631 179.482 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.1 ttmp? -92.1 -17.22 25.28 Favored 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 179.381 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 168.93 -142.61 7.49 Favored Glycine 0 N--CA 1.49 2.258 0 N-CA-C 109.253 -1.539 . . . . 0.0 109.253 179.978 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 58.0 tt0 60.68 8.55 1.8 Allowed 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.046 -1.267 . . . . 0.0 108.711 -179.561 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -102.56 77.18 1.59 Allowed 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.3 -0.875 . . . . 0.0 109.302 179.17 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 43.8 ttm -159.32 114.86 2.5 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.157 -0.964 . . . . 0.0 109.638 -179.756 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 21.4 t-80 -84.17 121.03 26.9 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.915 -1.116 . . . . 0.0 108.969 179.625 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -86.97 -133.43 3.71 Favored Glycine 0 N--CA 1.493 2.449 0 O-C-N 121.028 -1.045 . . . . 0.0 110.495 -179.087 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.454 ' O ' ' O ' ' A' ' 54' ' ' VAL . 24.4 tt0 60.21 -145.21 0.5 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.544 -0.974 . . . . 0.0 109.054 -179.401 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.59 HG12 ' N ' ' A' ' 55' ' ' ASP . 34.8 t 53.99 169.98 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.309 -0.87 . . . . 0.0 110.031 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.59 ' N ' HG12 ' A' ' 54' ' ' VAL . 56.6 p-10 . . . . . 0 N--CA 1.493 1.684 0 CA-C-O 117.992 -1.004 . . . . 0.0 108.953 178.407 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . 0.505 ' CE2' ' CE2' ' A' ' 1' ' ' PHE . 33.4 m-85 . . . . . 0 N--CA 1.492 1.663 0 CA-C-O 121.533 0.682 . . . . 0.0 109.664 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 33.1 mt -66.07 -36.53 83.47 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.3 -0.875 . . . . 0.0 111.114 -178.458 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 53.5 t0 -61.5 -47.61 84.83 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 120.945 -1.097 . . . . 0.0 109.921 -178.768 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.96 -43.46 65.39 Favored Glycine 0 N--CA 1.492 2.426 0 N-CA-C 109.974 -1.251 . . . . 0.0 109.974 -179.56 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.452 ' CD1' HG21 ' A' ' 31' ' ' VAL . 74.0 mt -61.62 -40.14 85.6 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.407 -1.055 . . . . 0.0 110.515 -179.537 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -56.96 -48.65 77.84 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.061 -1.025 . . . . 0.0 109.303 -179.166 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -69.33 -39.7 78.03 Favored 'General case' 0 C--N 1.296 -1.721 0 C-N-CA 119.145 -1.022 . . . . 0.0 109.516 179.118 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.9 -38.49 86.36 Favored 'General case' 0 C--N 1.3 -1.571 0 C-N-CA 119.497 -0.881 . . . . 0.0 109.73 179.981 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 11.6 tm0? -56.87 -41.09 77.37 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.249 -0.907 . . . . 0.0 110.063 -179.608 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -61.16 -42.75 99.11 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.889 -1.132 . . . . 0.0 109.017 179.245 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 40.0 tp10 -59.88 -40.08 87.48 Favored 'General case' 0 C--N 1.303 -1.427 0 N-CA-C 108.307 -0.998 . . . . 0.0 108.307 179.517 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . 0.607 ' O ' ' N ' ' B' ' 16' ' ' HIS . 14.0 t60 -61.03 -47.99 83.83 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.501 -0.749 . . . . 0.0 110.105 179.192 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -60.32 -40.8 91.9 Favored 'General case' 0 C--N 1.297 -1.691 0 O-C-N 121.249 -0.907 . . . . 0.0 109.817 -178.798 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 52.9 mtpt -62.36 -32.86 73.71 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.537 -0.727 . . . . 0.0 112.84 -178.426 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -140.48 -0.13 1.61 Allowed 'General case' 0 N--CA 1.508 2.433 0 O-C-N 120.59 -1.319 . . . . 0.0 111.915 -177.865 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.607 ' N ' ' O ' ' B' ' 12' ' ' HIS . 90.8 m-70 51.78 42.57 30.03 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.431 -1.418 . . . . 0.0 107.935 -177.764 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 81.0 p -62.58 157.47 20.5 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 121.432 -0.792 . . . . 0.0 110.656 -178.655 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 20.6 m120 -73.99 156.71 37.27 Favored 'General case' 0 N--CA 1.493 1.714 0 CA-C-O 121.225 0.536 . . . . 0.0 109.915 -179.888 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 35.7 p-90 -55.51 -31.24 61.88 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.087 -1.008 . . . . 0.0 110.518 -179.511 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -63.18 -39.7 95.39 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 120.733 -1.229 . . . . 0.0 109.595 179.278 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.73 -49.47 58.51 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.44 -0.787 . . . . 0.0 109.48 -179.745 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 77.3 mtm -61.38 -40.18 93.39 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.407 -0.808 . . . . 0.0 110.167 179.689 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.492 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -60.42 -43.51 96.67 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.132 -0.98 . . . . 0.0 109.286 179.952 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 25.0 m -70.25 -37.44 74.94 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.444 -0.785 . . . . 0.0 110.562 -179.497 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -61.57 -39.74 92.22 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.27 -0.894 . . . . 0.0 110.537 -178.666 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -110.61 -3.07 16.1 Favored 'General case' 0 N--CA 1.502 2.17 0 O-C-N 121.387 -0.82 . . . . 0.0 110.188 -179.391 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.492 ' N ' ' O ' ' B' ' 23' ' ' ALA . 1.6 t-20 58.32 48.83 11.88 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.4 -0.812 . . . . 0.0 110.222 179.447 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 57.5 mt -112.57 144.19 30.44 Favored Pre-proline 0 N--CA 1.502 2.159 0 O-C-N 121.158 -0.964 . . . . 0.0 109.358 -179.713 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_exo -45.02 145.17 3.26 Favored 'Trans proline' 0 N--CA 1.49 1.288 0 C-N-CA 121.589 1.526 . . . . 0.0 111.546 179.184 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -42.73 -40.7 8.11 Favored 'Trans proline' 0 C--N 1.31 -1.498 0 C-N-CA 121.671 1.581 . . . . 0.0 111.588 179.433 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 60.9 t -51.25 -47.27 33.62 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.779 0 O-C-N 121.543 -0.723 . . . . 0.0 110.384 -178.268 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 48.2 t -65.11 -49.61 78.44 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.885 0 C-N-CA 118.233 -1.387 . . . . 0.0 109.143 -179.003 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.98 -46.92 82.44 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.347 -0.846 . . . . 0.0 109.683 179.794 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 39.9 mtmt -60.74 -36.78 79.73 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.286 -0.884 . . . . 0.0 109.953 -179.77 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 14.6 tm-20 -60.41 -37.51 81.07 Favored 'General case' 0 C--N 1.305 -1.334 0 O-C-N 120.953 -1.092 . . . . 0.0 109.004 -178.911 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 76.8 mt -59.6 -38.7 76.85 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.483 0 O-C-N 121.061 -1.024 . . . . 0.0 108.835 178.818 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 87.0 t -63.29 -39.36 84.99 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.455 0 O-C-N 121.129 -0.982 . . . . 0.0 108.652 179.055 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . 0.553 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -59.6 -31.81 69.82 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 -179.827 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 45.3 m -78.09 -30.58 49.66 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 119.848 -0.741 . . . . 0.0 110.179 -179.443 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 43.0 t -83.2 105.08 13.88 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.2 -0.937 . . . . 0.0 109.123 -179.978 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -62.04 -30.14 70.77 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.121 -0.987 . . . . 0.0 110.48 -179.405 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -68.28 -39.9 81.97 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.11 -0.994 . . . . 0.0 111.012 -178.773 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 96.4 m -88.63 -20.89 24.35 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.904 -1.122 . . . . 0.0 109.771 -179.82 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . 0.553 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 7.2 tt0 -72.97 -66.78 0.63 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.358 -0.839 . . . . 0.0 109.897 -178.815 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 33.8 mt -80.31 103.74 10.39 Favored 'General case' 0 C--N 1.295 -1.763 0 O-C-N 120.864 -1.147 . . . . 0.0 109.148 179.332 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 4.0 ttmp? -92.63 -14.93 27.48 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.153 -0.967 . . . . 0.0 108.586 179.316 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . 0.417 ' C ' ' H ' ' B' ' 49' ' ' ALA . . . 167.56 -143.19 8.04 Favored Glycine 0 N--CA 1.495 2.609 0 N-CA-C 109.293 -1.523 . . . . 0.0 109.293 179.856 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 59.1 tt0 61.17 5.9 1.18 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.178 -1.189 . . . . 0.0 108.398 -179.466 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . 0.417 ' H ' ' C ' ' B' ' 47' ' ' GLY . . . -99.44 79.14 2.25 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.143 -0.973 . . . . 0.0 108.817 179.326 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 44.4 ttm -161.62 114.89 1.88 Allowed 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.013 -1.054 . . . . 0.0 109.826 -179.416 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 25.9 t-80 -85.35 118.79 25.11 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.196 -0.94 . . . . 0.0 108.794 179.473 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -85.57 -130.28 2.39 Favored Glycine 0 N--CA 1.494 2.561 0 N-CA-C 110.58 -1.008 . . . . 0.0 110.58 -179.174 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . 0.433 ' O ' ' O ' ' B' ' 54' ' ' VAL . 23.6 tt0 58.39 -147.85 0.49 Allowed 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.222 -1.163 . . . . 0.0 108.491 -179.307 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.525 HG12 ' N ' ' B' ' 55' ' ' ASP . 25.2 t 54.95 165.99 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.763 0 O-C-N 121.146 -0.971 . . . . 0.0 110.374 179.143 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.525 ' N ' HG12 ' B' ' 54' ' ' VAL . 51.5 p-10 . . . . . 0 N--CA 1.498 1.974 0 CA-C-O 118.095 -0.955 . . . . 0.0 109.286 179.174 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 . . . . . 0 N--CA 1.494 1.738 0 CA-C-O 121.508 0.671 . . . . 0.0 110.322 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 41.9 mt -71.35 -39.22 71.43 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.147 -0.971 . . . . 0.0 110.668 -178.774 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -66.04 -39.77 90.44 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.019 -1.051 . . . . 0.0 111.227 -178.869 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.11 -49.7 15.28 Favored Glycine 0 N--CA 1.495 2.595 0 N-CA-C 109.97 -1.252 . . . . 0.0 109.97 -179.454 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.526 ' O ' ' N ' ' A' ' 9' ' ' GLN . 84.7 mt -59.89 -40.08 81.81 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.653 0 O-C-N 121.151 -1.205 . . . . 0.0 109.79 -179.738 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -53.02 -47.72 68.13 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 120.781 -1.199 . . . . 0.0 109.359 -178.902 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -69.75 -43.95 71.22 Favored 'General case' 0 C--N 1.302 -1.485 0 C-N-CA 119.038 -1.065 . . . . 0.0 109.236 178.624 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.71 -32.38 73.64 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.0 -1.063 . . . . 0.0 109.985 179.973 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.526 ' N ' ' O ' ' A' ' 5' ' ' ILE . 60.5 tt0 -59.44 -41.11 88.86 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.229 -0.919 . . . . 0.0 109.797 -179.554 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -61.94 -41.72 98.29 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 179.702 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.7 tm-20 -60.94 -40.71 94.31 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 178.745 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.575 ' O ' ' N ' ' A' ' 16' ' ' HIS . 12.8 t60 -63.38 -47.3 82.62 Favored 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 119.325 -0.95 . . . . 0.0 109.856 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -59.94 -41.66 92.3 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.084 -1.01 . . . . 0.0 110.497 -178.842 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.7 mtpp -63.19 -33.63 75.89 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.539 -0.726 . . . . 0.0 112.46 -178.402 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -136.31 -7.64 2.01 Favored 'General case' 0 N--CA 1.508 2.443 0 O-C-N 120.863 -1.148 . . . . 0.0 112.482 -176.864 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.575 ' N ' ' O ' ' A' ' 12' ' ' HIS . 95.7 m-70 55.82 43.93 26.86 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 107.163 -1.421 . . . . 0.0 107.163 -177.74 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 97.8 p -64.21 159.85 19.81 Favored 'General case' 0 C--N 1.303 -1.425 0 CA-C-O 121.576 0.703 . . . . 0.0 110.043 -178.828 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -74.03 160.56 31.13 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 -179.989 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 33.2 p-90 -59.54 -30.33 68.53 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.886 -1.134 . . . . 0.0 110.19 -179.305 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -63.83 -42.15 97.7 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.001 -1.062 . . . . 0.0 110.416 -179.935 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.56 -49.02 70.39 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.204 -0.935 . . . . 0.0 109.722 -179.498 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 76.8 mtm -60.44 -39.96 89.38 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.163 -0.96 . . . . 0.0 109.437 179.863 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.469 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -57.67 -45.33 85.73 Favored 'General case' 0 C--N 1.299 -1.625 0 C-N-CA 119.633 -0.827 . . . . 0.0 109.517 -179.872 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 21.6 t -70.77 -37.85 73.41 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.399 -0.813 . . . . 0.0 109.74 179.738 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -60.65 -41.93 95.95 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.596 -0.69 . . . . 0.0 110.695 -179.45 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -108.51 -0.34 20.47 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.552 -0.717 . . . . 0.0 110.008 -179.455 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.469 ' N ' ' O ' ' A' ' 23' ' ' ALA . 11.3 t-20 56.79 51.39 10.94 Favored 'General case' 0 C--N 1.301 -1.539 0 C-N-CA 119.634 -0.826 . . . . 0.0 109.536 -179.768 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 66.1 mt -121.17 150.49 53.88 Favored Pre-proline 0 N--CA 1.509 2.495 0 O-C-N 121.085 -1.009 . . . . 0.0 108.885 -179.915 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_endo -59.33 148.86 84.51 Favored 'Trans proline' 0 C--N 1.313 -1.311 0 C-N-CA 121.465 1.443 . . . . 0.0 111.646 -179.75 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 27.2 Cg_exo -42.08 -31.71 1.66 Allowed 'Trans proline' 0 C--N 1.31 -1.466 0 C-N-CA 121.952 1.768 . . . . 0.0 110.9 178.972 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 42.8 t -52.76 -52.64 26.08 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.618 0 O-C-N 121.334 -0.854 . . . . 0.0 110.834 -178.234 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 99.3 t -68.27 -49.12 69.72 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.962 0 C-N-CA 118.435 -1.306 . . . . 0.0 109.559 -178.97 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.6 -44.34 94.29 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.243 -0.911 . . . . 0.0 110.611 -179.716 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -61.07 -36.14 78.84 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.832 -1.168 . . . . 0.0 110.457 -179.609 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.6 tm-20 -60.98 -39.47 89.76 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.712 -1.242 . . . . 0.0 110.188 -179.347 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 12.8 mt -60.21 -40.23 83.0 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.453 0 O-C-N 120.915 -1.116 . . . . 0.0 108.976 -179.922 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 74.9 t -62.64 -40.08 87.07 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.621 0 O-C-N 121.303 -0.873 . . . . 0.0 108.878 179.455 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.82 -32.46 70.67 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.394 -0.816 . . . . 0.0 111.222 -179.512 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 41.0 m -80.5 -23.43 40.12 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.967 -1.083 . . . . 0.0 110.417 -178.952 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 41.6 t -86.26 108.01 18.2 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.093 -1.004 . . . . 0.0 110.783 -179.407 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 -63.52 -28.23 69.81 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.456 -0.777 . . . . 0.0 109.43 179.066 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 62.1 mttp -74.88 9.92 1.67 Allowed 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.475 -0.765 . . . . 0.0 109.837 -179.443 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 78.3 m -147.7 -32.4 0.28 Allowed 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.35 -0.844 . . . . 0.0 109.579 -179.981 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 -69.77 -38.41 76.72 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.033 -1.042 . . . . 0.0 109.721 179.785 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 97.0 mt -83.38 46.22 1.12 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.315 -0.866 . . . . 0.0 110.051 -179.807 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 46.1 pttt -83.4 131.71 35.03 Favored 'General case' 0 C--N 1.294 -1.831 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 179.583 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 133.98 179.12 16.11 Favored Glycine 0 N--CA 1.502 3.043 0 N-CA-C 108.681 -1.768 . . . . 0.0 108.681 -178.839 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.577 ' O ' ' N ' ' A' ' 50' ' ' MET . 88.7 mt-10 -59.53 -29.52 67.95 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.227 -1.16 . . . . 0.0 108.813 179.736 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 40.82 -87.14 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.725 -0.609 . . . . 0.0 110.434 179.807 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.577 ' N ' ' O ' ' A' ' 48' ' ' GLU . 21.6 ptt? -64.88 149.82 48.86 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.308 -0.87 . . . . 0.0 110.052 -179.948 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 51.1 t-80 -142.67 148.34 37.2 Favored 'General case' 0 N--CA 1.503 2.18 0 O-C-N 121.07 -1.019 . . . . 0.0 109.391 179.806 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -161.91 -107.11 0.21 Allowed Glycine 0 N--CA 1.496 2.655 0 N-CA-C 110.069 -1.212 . . . . 0.0 110.069 -179.264 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.471 ' C ' ' H ' ' A' ' 55' ' ' ASP . 37.0 tp60 66.4 32.48 7.54 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.596 -0.944 . . . . 0.0 108.802 -179.709 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 6.0 t 55.64 8.29 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 CA-C-O 121.812 0.815 . . . . 0.0 109.009 -179.999 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.471 ' H ' ' C ' ' A' ' 53' ' ' GLN . 65.4 t0 . . . . . 0 N--CA 1.497 1.924 0 CA-C-O 118.256 -0.878 . . . . 0.0 110.376 -179.546 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 . . . . . 0 N--CA 1.492 1.668 0 CA-C-O 121.628 0.727 . . . . 0.0 110.254 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 46.4 mt -68.66 -39.59 80.59 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.209 -0.932 . . . . 0.0 110.468 -178.075 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -64.24 -40.14 95.41 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.349 -0.844 . . . . 0.0 111.144 -179.272 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.29 -50.46 12.25 Favored Glycine 0 N--CA 1.494 2.535 0 N-CA-C 109.926 -1.27 . . . . 0.0 109.926 -179.533 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.519 ' O ' ' N ' ' B' ' 9' ' ' GLN . 87.9 mt -59.6 -39.65 80.04 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.605 0 O-C-N 121.529 -0.983 . . . . 0.0 110.36 -179.444 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -53.26 -49.03 67.74 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 120.876 -1.14 . . . . 0.0 109.419 -179.781 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 61.2 mttp -69.08 -44.91 71.6 Favored 'General case' 0 C--N 1.3 -1.562 0 C-N-CA 119.06 -1.056 . . . . 0.0 109.497 179.244 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.75 -32.8 74.55 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.195 -0.94 . . . . 0.0 110.096 179.99 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . 0.519 ' N ' ' O ' ' B' ' 5' ' ' ILE . 61.0 tt0 -59.28 -41.46 88.95 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 121.388 -0.82 . . . . 0.0 109.722 -179.56 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -61.17 -42.64 98.93 Favored 'General case' 0 C--N 1.302 -1.463 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 179.91 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 11.4 tm-20 -60.16 -40.83 91.26 Favored 'General case' 0 N--CA 1.487 1.414 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 178.783 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . 0.553 ' O ' ' N ' ' B' ' 16' ' ' HIS . 14.5 t60 -63.49 -47.29 82.37 Favored 'General case' 0 C--N 1.305 -1.338 0 O-C-N 121.283 -0.886 . . . . 0.0 109.976 179.762 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -59.93 -42.03 93.06 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.995 -1.066 . . . . 0.0 110.151 -178.765 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 24.2 mtpp -62.23 -34.52 76.67 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.588 -0.695 . . . . 0.0 112.604 -178.855 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -135.59 -8.88 2.17 Favored 'General case' 0 N--CA 1.514 2.733 0 O-C-N 120.776 -1.203 . . . . 0.0 112.712 -177.1 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.553 ' N ' ' O ' ' B' ' 12' ' ' HIS . 95.3 m-70 57.26 43.03 24.3 Favored 'General case' 0 N--CA 1.496 1.859 0 N-CA-C 107.356 -1.35 . . . . 0.0 107.356 -177.785 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 85.7 p -64.58 159.8 20.99 Favored 'General case' 0 C--N 1.306 -1.301 0 O-C-N 121.572 -0.705 . . . . 0.0 110.495 -178.917 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 -73.69 160.73 31.14 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 179.368 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 34.9 p-90 -59.22 -31.55 69.16 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.993 -1.067 . . . . 0.0 110.257 -179.276 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -62.61 -40.47 97.07 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.17 -0.956 . . . . 0.0 110.413 179.868 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.85 -48.8 65.11 Favored 'General case' 0 C--N 1.298 -1.672 0 O-C-N 121.219 -0.926 . . . . 0.0 110.15 -179.075 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 77.0 mtm -61.15 -39.78 91.36 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.099 -1.0 . . . . 0.0 109.12 179.402 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.527 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -56.44 -46.87 80.1 Favored 'General case' 0 C--N 1.299 -1.622 0 C-N-CA 119.476 -0.89 . . . . 0.0 109.446 -179.602 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 23.3 t -69.92 -39.05 76.39 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.558 -0.714 . . . . 0.0 109.784 179.796 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -59.57 -39.2 83.3 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.547 -0.721 . . . . 0.0 110.403 -179.124 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -111.94 -0.36 15.81 Favored 'General case' 0 N--CA 1.504 2.253 0 O-C-N 121.446 -0.784 . . . . 0.0 110.038 179.796 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.527 ' N ' ' O ' ' B' ' 23' ' ' ALA . 12.9 t-20 56.5 50.27 13.28 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.441 -0.787 . . . . 0.0 110.183 179.861 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 70.9 mt -118.77 150.37 48.27 Favored Pre-proline 0 N--CA 1.505 2.29 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 179.831 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_endo -59.82 148.72 87.18 Favored 'Trans proline' 0 N--CA 1.487 1.11 0 C-N-CA 121.381 1.388 . . . . 0.0 111.424 -179.918 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -43.67 -30.32 2.74 Favored 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 121.501 1.467 . . . . 0.0 111.226 179.768 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 37.3 t -52.52 -52.59 25.18 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.609 0 O-C-N 121.301 -0.875 . . . . 0.0 110.397 -178.678 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 97.6 t -67.95 -50.06 62.84 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.797 0 C-N-CA 118.857 -1.137 . . . . 0.0 109.869 -178.568 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.75 -44.92 94.95 Favored 'General case' 0 C--N 1.297 -1.698 0 O-C-N 121.264 -0.897 . . . . 0.0 110.473 -179.951 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 52.3 mtpt -60.69 -36.79 79.67 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 120.914 -1.116 . . . . 0.0 110.395 -179.826 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -61.05 -39.46 89.93 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.933 -1.104 . . . . 0.0 110.145 -179.76 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 13.5 mt -59.97 -40.66 83.65 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 120.976 -1.078 . . . . 0.0 109.003 179.783 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 78.5 t -63.38 -37.62 80.0 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 O-C-N 121.283 -0.886 . . . . 0.0 109.18 179.329 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . 0.478 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -61.62 -32.0 72.11 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.337 -0.852 . . . . 0.0 111.03 -179.541 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 50.4 m -80.72 -23.22 39.63 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.022 -1.049 . . . . 0.0 110.616 -179.093 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 43.1 t -86.15 108.4 18.3 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.145 -0.972 . . . . 0.0 110.601 -179.047 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -63.84 -29.15 70.37 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.527 -0.733 . . . . 0.0 109.156 178.975 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.96 9.59 1.13 Allowed 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.439 -0.788 . . . . 0.0 109.989 -179.458 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 85.4 m -148.08 -34.15 0.23 Allowed 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.238 -0.913 . . . . 0.0 109.58 -179.713 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . 0.478 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 52.5 tt0 -67.26 -38.45 85.15 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.103 -0.998 . . . . 0.0 109.81 179.906 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 91.3 mt -83.27 45.9 1.08 Allowed 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.371 -0.831 . . . . 0.0 110.017 -179.86 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . 0.402 ' H ' ' HG2' ' B' ' 46' ' ' LYS . 46.5 pttt -83.14 132.28 35.09 Favored 'General case' 0 C--N 1.296 -1.747 0 O-C-N 121.631 -0.668 . . . . 0.0 109.211 179.684 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 132.59 -178.04 18.37 Favored Glycine 0 N--CA 1.501 2.987 0 N-CA-C 109.039 -1.624 . . . . 0.0 109.039 -178.722 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . 0.576 ' O ' ' N ' ' B' ' 50' ' ' MET . 88.2 mt-10 -60.66 -31.94 71.15 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.101 -1.235 . . . . 0.0 109.273 179.646 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . 43.0 -87.62 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.558 -0.714 . . . . 0.0 110.576 -179.995 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . 0.576 ' N ' ' O ' ' B' ' 48' ' ' GLU . 22.1 ptt? -66.57 149.5 50.38 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.138 -0.976 . . . . 0.0 110.174 -179.582 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 49.5 t-80 -143.27 151.16 40.22 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.283 -0.886 . . . . 0.0 109.511 -179.981 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -164.59 -106.78 0.2 Allowed Glycine 0 N--CA 1.492 2.375 0 N-CA-C 109.58 -1.408 . . . . 0.0 109.58 -179.286 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . 0.492 ' C ' ' H ' ' B' ' 55' ' ' ASP . 39.6 tp60 67.42 32.27 5.89 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 121.736 -0.861 . . . . 0.0 109.069 -179.588 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 5.3 t 57.28 5.54 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 CA-C-O 121.988 0.899 . . . . 0.0 109.417 -178.981 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.492 ' H ' ' C ' ' B' ' 53' ' ' GLN . 66.2 t0 . . . . . 0 N--CA 1.494 1.766 0 CA-C-O 117.926 -1.035 . . . . 0.0 109.443 179.577 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.513 ' CE2' ' CE2' ' B' ' 1' ' ' PHE . 77.0 m-85 . . . . . 0 N--CA 1.487 1.413 0 CA-C-O 121.508 0.67 . . . . 0.0 109.477 . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 22.9 mt -73.99 -42.72 59.99 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.424 -0.797 . . . . 0.0 110.687 -178.796 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 62.3 t0 -61.15 -49.73 76.04 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.151 -0.968 . . . . 0.0 111.239 -178.329 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.68 -44.65 89.09 Favored Glycine 0 N--CA 1.488 2.158 0 N-CA-C 109.989 -1.244 . . . . 0.0 109.989 -179.203 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.553 HD11 HG11 ' B' ' 31' ' ' VAL . 74.3 mt -60.17 -40.15 82.69 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.195 -1.179 . . . . 0.0 110.566 -179.606 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -56.81 -47.58 79.95 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.832 -1.168 . . . . 0.0 109.647 -179.202 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -68.79 -40.03 79.83 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.197 -0.939 . . . . 0.0 109.041 178.858 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.15 -36.77 77.76 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.274 -0.892 . . . . 0.0 109.778 179.719 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 5' ' ' ILE . 61.9 tt0 -57.07 -41.53 78.97 Favored 'General case' 0 C--N 1.302 -1.461 0 C-N-CA 119.385 -0.926 . . . . 0.0 109.404 -179.439 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 78.2 tt0 -61.53 -41.21 97.0 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 120.908 -1.12 . . . . 0.0 108.836 179.213 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 19.6 tp10 -61.52 -41.13 96.85 Favored 'General case' 0 N--CA 1.493 1.704 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 178.893 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.556 ' O ' ' N ' ' A' ' 16' ' ' HIS . 15.6 t60 -61.35 -49.81 75.45 Favored 'General case' 0 C--N 1.305 -1.362 0 CA-C-O 121.514 0.673 . . . . 0.0 109.846 179.38 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 31.6 tp10 -59.76 -40.57 88.61 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 121.176 -0.953 . . . . 0.0 110.112 -178.768 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.1 mtpp -60.56 -39.3 87.49 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.172 -0.955 . . . . 0.0 112.254 -178.663 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -133.68 -3.0 2.96 Favored 'General case' 0 N--CA 1.51 2.551 0 O-C-N 120.961 -1.087 . . . . 0.0 112.701 -176.967 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.556 ' N ' ' O ' ' A' ' 12' ' ' HIS . 93.6 m-70 54.45 46.85 24.12 Favored 'General case' 0 N--CA 1.498 1.966 0 N-CA-C 107.335 -1.357 . . . . 0.0 107.335 -177.613 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 96.7 p -66.26 154.64 39.34 Favored 'General case' 0 C--N 1.302 -1.473 0 CA-C-O 121.459 0.647 . . . . 0.0 110.121 -178.489 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -70.9 159.16 35.17 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.184 -0.948 . . . . 0.0 108.84 179.96 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 27.6 p-90 -58.21 -27.98 64.41 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.363 -0.835 . . . . 0.0 110.076 -179.187 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -64.48 -39.84 94.56 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.029 -1.045 . . . . 0.0 110.213 179.648 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.42 -45.17 69.81 Favored 'General case' 0 C--N 1.298 -1.644 0 O-C-N 121.26 -0.9 . . . . 0.0 109.835 -179.093 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 79.8 mtm -63.44 -39.98 95.93 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.137 -0.977 . . . . 0.0 109.628 -179.958 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.487 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -56.56 -46.6 80.63 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.317 -0.864 . . . . 0.0 109.601 -179.966 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 27.8 t -70.84 -38.21 73.2 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.375 -0.828 . . . . 0.0 110.161 179.931 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -60.08 -39.46 86.19 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.191 -0.943 . . . . 0.0 110.41 -179.343 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -112.6 2.66 16.29 Favored 'General case' 0 N--CA 1.502 2.165 0 O-C-N 121.305 -0.872 . . . . 0.0 109.761 -179.746 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.487 ' N ' ' O ' ' A' ' 23' ' ' ALA . 83.2 m-20 54.41 49.06 19.22 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.499 -0.751 . . . . 0.0 109.968 179.949 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 73.8 mt -117.78 151.62 48.86 Favored Pre-proline 0 N--CA 1.505 2.318 0 O-C-N 121.317 -0.864 . . . . 0.0 108.838 179.786 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_endo -60.32 161.33 20.35 Favored 'Trans proline' 0 N--CA 1.49 1.282 0 C-N-CA 121.702 1.601 . . . . 0.0 111.067 179.912 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_endo -54.77 -34.14 83.45 Favored 'Trans proline' 0 C--N 1.302 -1.886 0 C-N-CA 122.361 2.041 . . . . 0.0 111.613 179.846 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.529 HG11 HD11 ' B' ' 5' ' ' ILE . 95.4 t -54.27 -48.97 66.49 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.577 0 O-C-N 121.339 -0.85 . . . . 0.0 110.131 -178.79 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 68.6 t -68.05 -46.37 81.74 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.923 0 C-N-CA 118.239 -1.384 . . . . 0.0 109.48 -179.689 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.95 -45.14 86.97 Favored 'General case' 0 C--N 1.294 -1.812 0 C-N-CA 119.705 -0.798 . . . . 0.0 110.365 179.924 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.9 mtmm -62.7 -35.69 80.52 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 120.555 -1.341 . . . . 0.0 110.408 -179.505 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.8 tm-20 -59.9 -38.77 83.23 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.764 -1.21 . . . . 0.0 109.149 -179.359 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 21.4 mt -60.03 -40.24 82.62 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 120.834 -1.166 . . . . 0.0 108.396 179.49 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 97.0 t -62.86 -39.72 86.06 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.441 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 179.086 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.87 -30.52 71.58 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 179.508 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.3 m -79.46 -27.31 41.6 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.235 -0.916 . . . . 0.0 109.188 179.793 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 35.8 t -82.59 103.34 12.05 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.195 -0.941 . . . . 0.0 109.107 179.669 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -60.65 -29.52 69.32 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.275 -0.891 . . . . 0.0 110.699 -179.688 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 48.5 mtpt -70.41 -40.84 73.63 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.076 -1.015 . . . . 0.0 110.887 -178.768 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 81.4 m -85.99 -23.52 26.82 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.058 -1.026 . . . . 0.0 109.808 -179.911 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -75.51 -66.04 0.82 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.222 -0.924 . . . . 0.0 110.532 -178.588 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 84.3 mt -80.47 61.72 4.31 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.214 -0.929 . . . . 0.0 109.713 -179.268 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 17.8 pttp -88.27 -0.56 57.26 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.508 -0.745 . . . . 0.0 109.068 179.451 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -80.01 169.43 53.01 Favored Glycine 0 N--CA 1.489 2.221 0 N-CA-C 109.62 -1.392 . . . . 0.0 109.62 -179.783 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -88.98 143.65 26.71 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.325 -1.103 . . . . 0.0 109.647 179.846 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -79.22 159.51 27.3 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.468 -0.77 . . . . 0.0 109.406 -179.836 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.423 ' O ' ' O ' ' B' ' 50' ' ' MET . 1.1 tmt? -72.54 133.05 44.58 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.025 -1.047 . . . . 0.0 109.893 -179.296 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 5.3 p80 -150.35 179.34 8.21 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.379 -0.825 . . . . 0.0 109.122 -179.983 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -153.74 10.83 0.51 Allowed Glycine 0 N--CA 1.494 2.544 0 N-CA-C 109.42 -1.472 . . . . 0.0 109.42 179.798 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.464 ' C ' ' H ' ' A' ' 55' ' ' ASP . 24.1 mm100 53.53 23.09 3.28 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.311 -1.111 . . . . 0.0 108.783 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.0 t 57.48 7.79 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.299 -1.593 0 CA-C-O 121.94 0.876 . . . . 0.0 108.928 -179.436 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.464 ' H ' ' C ' ' A' ' 53' ' ' GLN . 89.5 m-20 . . . . . 0 C--N 1.298 -1.658 0 CA-C-O 117.962 -1.018 . . . . 0.0 109.727 -179.922 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . 0.513 ' CE2' ' CE2' ' A' ' 1' ' ' PHE . 74.1 m-85 . . . . . 0 N--CA 1.488 1.453 0 CA-C-O 121.484 0.659 . . . . 0.0 109.729 . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 17.0 mt -74.53 -41.7 60.15 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.153 -0.967 . . . . 0.0 110.859 -178.948 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -62.27 -49.81 74.2 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.319 -0.863 . . . . 0.0 111.308 -178.251 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.67 -45.66 82.6 Favored Glycine 0 N--CA 1.484 1.887 0 N-CA-C 109.759 -1.336 . . . . 0.0 109.759 -178.927 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.529 HD11 HG11 ' A' ' 31' ' ' VAL . 72.7 mt -59.3 -40.25 80.91 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.47 0 O-C-N 121.401 -1.058 . . . . 0.0 110.607 -179.572 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -57.0 -45.88 82.68 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.761 -1.212 . . . . 0.0 109.542 -178.99 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -70.41 -40.07 74.09 Favored 'General case' 0 C--N 1.303 -1.451 0 C-N-CA 119.189 -1.004 . . . . 0.0 108.814 179.032 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.16 -37.61 81.19 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.341 -0.849 . . . . 0.0 109.531 179.747 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -56.19 -42.45 77.16 Favored 'General case' 0 C--N 1.302 -1.469 0 C-N-CA 119.306 -0.958 . . . . 0.0 109.556 -179.802 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 79.4 tt0 -60.7 -41.48 95.26 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.985 -1.072 . . . . 0.0 108.734 179.304 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 19.1 tp10 -61.51 -41.0 96.65 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.035 -1.041 . . . . 0.0 108.385 178.92 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . 0.534 ' O ' ' N ' ' B' ' 16' ' ' HIS . 14.6 t60 -61.72 -48.81 79.05 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 119.807 -0.757 . . . . 0.0 109.869 179.229 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 31.0 tp10 -59.96 -40.67 89.81 Favored 'General case' 0 C--N 1.297 -1.702 0 O-C-N 121.029 -1.044 . . . . 0.0 109.931 -178.448 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 25.5 mtpp -60.76 -38.14 84.22 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.295 -0.878 . . . . 0.0 112.507 -178.701 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -135.19 -1.89 2.58 Favored 'General case' 0 N--CA 1.507 2.403 0 O-C-N 120.868 -1.145 . . . . 0.0 112.67 -176.641 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.534 ' N ' ' O ' ' B' ' 12' ' ' HIS . 92.8 m-70 54.19 42.83 31.34 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.557 -1.34 . . . . 0.0 107.605 -178.047 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 85.5 p -61.54 155.58 21.74 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.698 -0.626 . . . . 0.0 110.437 -178.781 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 68.8 m-20 -72.45 158.84 34.99 Favored 'General case' 0 N--CA 1.486 1.367 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 179.713 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 27.4 p-90 -57.88 -29.08 64.75 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.195 -0.941 . . . . 0.0 110.056 -179.231 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -62.74 -40.35 96.95 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.104 -0.998 . . . . 0.0 109.994 179.634 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.78 -47.06 64.29 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.29 -0.881 . . . . 0.0 109.773 -179.086 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 79.1 mtm -61.01 -39.71 90.8 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.94 -1.1 . . . . 0.0 109.804 179.793 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.504 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -57.12 -47.34 81.35 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.179 -0.951 . . . . 0.0 109.54 -179.814 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 22.8 t -70.31 -36.99 74.67 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.328 -0.857 . . . . 0.0 110.137 179.75 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 60.0 t0 -60.83 -40.37 92.55 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.338 -0.851 . . . . 0.0 110.453 -179.304 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -111.66 2.68 17.39 Favored 'General case' 0 N--CA 1.504 2.253 0 O-C-N 121.326 -0.859 . . . . 0.0 109.957 179.899 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.504 ' N ' ' O ' ' B' ' 23' ' ' ALA . 84.5 m-20 54.85 49.08 18.61 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.408 -0.807 . . . . 0.0 109.847 179.885 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 74.9 mt -117.67 150.83 47.58 Favored Pre-proline 0 N--CA 1.502 2.156 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 179.805 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -60.07 161.46 19.18 Favored 'Trans proline' 0 N--CA 1.491 1.35 0 C-N-CA 121.65 1.567 . . . . 0.0 110.999 179.69 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_endo -54.77 -34.26 83.96 Favored 'Trans proline' 0 C--N 1.303 -1.824 0 C-N-CA 122.412 2.075 . . . . 0.0 111.535 179.954 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.553 HG11 HD11 ' A' ' 5' ' ' ILE . 89.9 t -53.73 -49.92 54.48 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.741 0 O-C-N 121.289 -0.882 . . . . 0.0 109.789 -178.607 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 87.0 t -67.38 -47.39 81.13 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.986 0 C-N-CA 118.402 -1.319 . . . . 0.0 109.422 -179.188 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.19 -45.55 87.83 Favored 'General case' 0 C--N 1.298 -1.663 0 O-C-N 121.354 -0.841 . . . . 0.0 110.243 179.909 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 17.5 mtmm -61.89 -36.17 80.51 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 120.615 -1.303 . . . . 0.0 110.497 -179.458 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -59.63 -39.2 83.54 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.566 -1.334 . . . . 0.0 109.595 -179.517 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 21.6 mt -59.54 -39.76 80.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 120.807 -1.183 . . . . 0.0 107.855 179.674 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 87.9 t -63.79 -39.99 87.4 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.503 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 179.272 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . 0.525 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -61.96 -31.13 71.44 Favored 'General case' 0 C--N 1.299 -1.609 0 N-CA-C 108.62 -0.882 . . . . 0.0 108.62 179.177 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 7.4 m -78.44 -27.21 46.44 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.234 -0.916 . . . . 0.0 109.272 179.959 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 38.2 t -83.0 102.96 12.09 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.044 -1.035 . . . . 0.0 109.425 -179.937 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -60.55 -28.51 68.49 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.26 -0.9 . . . . 0.0 110.619 -179.787 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 48.3 mtpt -71.49 -41.58 69.13 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.114 -0.992 . . . . 0.0 110.802 -178.86 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 83.7 m -85.75 -23.72 27.18 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.912 -1.118 . . . . 0.0 109.867 -179.955 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . 0.525 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 6.8 tt0 -75.1 -65.82 0.83 Allowed 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.281 -0.887 . . . . 0.0 110.556 -178.703 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 85.3 mt -81.17 61.38 4.68 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.213 -0.93 . . . . 0.0 110.186 -179.284 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 17.2 pttp -87.34 0.56 55.26 Favored 'General case' 0 C--N 1.295 -1.778 0 N-CA-C 108.971 -0.752 . . . . 0.0 108.971 179.152 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -80.2 169.29 52.68 Favored Glycine 0 N--CA 1.491 2.356 0 N-CA-C 109.722 -1.351 . . . . 0.0 109.722 -179.592 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 -90.28 139.88 30.23 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.281 -1.129 . . . . 0.0 109.642 -179.696 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.29 158.82 33.36 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.405 -0.809 . . . . 0.0 109.24 179.579 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . 0.423 ' O ' ' O ' ' A' ' 50' ' ' MET . 1.2 tmt? -72.7 134.55 45.09 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.136 -0.978 . . . . 0.0 109.667 -179.52 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 6.3 p80 -151.45 178.59 9.14 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.262 -0.899 . . . . 0.0 109.227 -179.977 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -153.19 11.4 0.57 Allowed Glycine 0 N--CA 1.497 2.731 0 N-CA-C 109.188 -1.565 . . . . 0.0 109.188 179.909 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . 0.478 ' C ' ' H ' ' B' ' 55' ' ' ASP . 24.1 mm100 53.15 25.49 4.29 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.472 -1.017 . . . . 0.0 108.793 -179.948 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 3.2 t 56.03 7.51 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.764 0 CA-C-O 122.022 0.915 . . . . 0.0 109.308 -179.436 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.478 ' H ' ' C ' ' B' ' 53' ' ' GLN . 93.8 m-20 . . . . . 0 C--N 1.293 -1.849 0 CA-C-O 118.083 -0.961 . . . . 0.0 109.457 -179.614 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.421 ' O ' HD12 ' A' ' 5' ' ' ILE . 71.9 m-85 . . . . . 0 N--CA 1.492 1.636 0 CA-C-O 121.287 0.565 . . . . 0.0 110.437 . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 45.6 mt -70.61 -32.63 70.05 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.295 -0.878 . . . . 0.0 111.21 -177.763 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -63.75 -51.59 64.19 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.042 -1.036 . . . . 0.0 110.578 -178.196 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.44 -43.02 93.42 Favored Glycine 0 N--CA 1.488 2.118 0 N-CA-C 109.553 -1.419 . . . . 0.0 109.553 -179.897 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.421 HD12 ' O ' ' A' ' 1' ' ' PHE . 80.3 mt -59.66 -39.98 81.02 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 O-C-N 121.413 -1.051 . . . . 0.0 110.306 -179.039 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -56.24 -46.0 79.78 Favored 'General case' 0 N--CA 1.49 1.568 0 C-N-CA 119.129 -1.028 . . . . 0.0 108.917 -179.318 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 60.0 mttp -70.0 -39.79 75.68 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 120.848 -1.158 . . . . 0.0 109.28 179.158 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.28 -38.41 81.67 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.588 -0.695 . . . . 0.0 109.489 -179.808 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -58.29 -39.97 80.71 Favored 'General case' 0 N--CA 1.485 1.285 0 O-C-N 121.237 -0.914 . . . . 0.0 109.835 -178.991 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 77.8 tt0 -63.13 -41.08 99.24 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.092 -1.005 . . . . 0.0 109.907 179.772 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.501 ' CD ' ' HG ' ' A' ' 17' ' ' SER . 14.3 tm-20 -60.9 -43.93 97.84 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.236 -0.915 . . . . 0.0 109.259 179.48 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.509 ' O ' ' N ' ' A' ' 16' ' ' HIS . 14.7 t60 -61.03 -42.63 98.83 Favored 'General case' 0 C--N 1.301 -1.508 0 C-N-CA 119.493 -0.883 . . . . 0.0 110.222 -179.729 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.4 tp10 -61.08 -42.77 99.13 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 120.574 -1.329 . . . . 0.0 110.574 -179.385 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -63.54 -38.94 93.04 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.816 -0.553 . . . . 0.0 112.356 -178.7 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 33.2 m-85 -131.63 -0.92 3.89 Favored 'General case' 0 N--CA 1.508 2.436 0 O-C-N 120.897 -1.127 . . . . 0.0 113.269 -176.629 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.509 ' N ' ' O ' ' A' ' 12' ' ' HIS . 92.7 m-70 52.09 41.78 30.15 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 120.177 -1.577 . . . . 0.0 107.219 -178.659 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.501 ' HG ' ' CD ' ' A' ' 11' ' ' GLU . 6.7 p -62.52 150.32 40.59 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.465 -0.772 . . . . 0.0 109.819 -178.449 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 28.1 m120 -68.81 152.96 44.63 Favored 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 108.164 -1.051 . . . . 0.0 108.164 179.746 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 46.4 p-90 -55.01 -30.14 58.85 Favored 'General case' 0 C--N 1.299 -1.616 0 C-N-CA 119.633 -0.827 . . . . 0.0 109.268 -178.591 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -62.77 -43.76 97.95 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 120.777 -1.202 . . . . 0.0 110.249 179.81 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.33 -44.92 70.67 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.623 -1.298 . . . . 0.0 108.94 179.734 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 21.8 mtp -61.71 -44.36 97.08 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.527 -0.733 . . . . 0.0 110.19 -179.879 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.51 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -58.26 -44.61 88.43 Favored 'General case' 0 C--N 1.296 -1.731 0 C-N-CA 118.996 -1.081 . . . . 0.0 109.04 179.457 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 51.0 m -68.97 -34.9 76.07 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.22 -0.925 . . . . 0.0 109.563 179.913 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -61.44 -41.35 97.05 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.33 -0.856 . . . . 0.0 110.092 -179.834 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -110.03 4.08 20.98 Favored 'General case' 0 N--CA 1.505 2.304 0 O-C-N 121.614 -0.679 . . . . 0.0 110.835 -179.689 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.51 ' N ' ' O ' ' A' ' 23' ' ' ALA . 70.0 m-20 53.82 46.81 24.99 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.372 -0.83 . . . . 0.0 110.779 179.312 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 79.1 mt -113.29 152.7 45.39 Favored Pre-proline 0 N--CA 1.512 2.66 0 O-C-N 121.352 -0.842 . . . . 0.0 108.841 -179.82 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_endo -62.01 161.3 26.51 Favored 'Trans proline' 0 N--CA 1.493 1.448 0 C-N-CA 121.622 1.548 . . . . 0.0 110.713 179.897 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo -55.84 -35.54 93.96 Favored 'Trans proline' 0 C--N 1.301 -1.959 0 C-N-CA 122.413 2.075 . . . . 0.0 111.742 -178.937 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 73.7 t -57.28 -49.57 79.52 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.717 0 O-C-N 120.782 -1.199 . . . . 0.0 110.571 -178.666 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 61.9 t -65.61 -48.27 83.24 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.736 0 O-C-N 120.394 -1.441 . . . . 0.0 109.083 -178.889 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.43 -44.27 83.38 Favored 'General case' 0 N--CA 1.494 1.733 0 C-N-CA 119.515 -0.874 . . . . 0.0 110.868 179.891 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 50.8 mtpt -63.12 -35.31 79.85 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.99 -1.069 . . . . 0.0 110.24 -179.598 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.3 tm-20 -61.54 -39.71 92.05 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 120.902 -1.124 . . . . 0.0 109.733 -178.857 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 92.8 mt -60.13 -38.91 78.88 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.43 0 O-C-N 120.921 -1.112 . . . . 0.0 108.323 179.77 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 64.2 t -63.58 -40.64 89.79 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 179.287 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.01 -30.22 69.01 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.406 -0.809 . . . . 0.0 108.964 179.64 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.6 m -78.34 -25.82 46.56 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.912 -1.118 . . . . 0.0 109.031 -179.968 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 41.9 t -81.06 101.36 9.54 Favored 'General case' 0 N--CA 1.491 1.582 0 N-CA-C 108.404 -0.962 . . . . 0.0 108.404 178.794 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -59.54 -31.12 69.12 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.337 -0.852 . . . . 0.0 111.222 -179.416 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -69.4 -40.32 77.41 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.127 -0.983 . . . . 0.0 111.133 -178.007 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 56.9 m -81.17 -24.88 37.24 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.974 -1.079 . . . . 0.0 109.726 179.904 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 54.6 tt0 -75.36 -72.84 0.28 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.922 -1.111 . . . . 0.0 109.299 -179.269 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 50.4 mt -84.37 99.17 10.46 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.332 -0.855 . . . . 0.0 108.907 178.867 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 48.5 mtmt -96.14 10.77 36.61 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.545 -0.722 . . . . 0.0 109.772 179.98 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 101.62 -175.98 25.95 Favored Glycine 0 N--CA 1.503 3.147 0 N-CA-C 110.111 -1.196 . . . . 0.0 110.111 -179.707 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 73.2 tt0 54.08 42.16 31.71 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.2 -1.177 . . . . 0.0 108.242 179.598 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.419 ' HB3' ' H ' ' B' ' 50' ' ' MET . . . -97.45 -111.76 0.15 Allowed 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.347 -0.846 . . . . 0.0 109.886 -179.089 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.54 ' O ' ' O ' ' B' ' 50' ' ' MET . 17.8 tpt -86.28 130.35 34.54 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.128 -0.983 . . . . 0.0 109.494 -179.869 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -88.18 140.27 29.65 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.445 -1.409 . . . . 0.0 110.176 -179.771 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -85.31 -140.68 5.35 Favored Glycine 0 N--CA 1.484 1.838 0 N-CA-C 109.201 -1.56 . . . . 0.0 109.201 179.632 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.436 ' O ' ' O ' ' A' ' 54' ' ' VAL . 36.7 mt-30 -61.97 148.34 44.08 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.667 -0.902 . . . . 0.0 109.703 179.844 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.436 ' O ' ' O ' ' A' ' 53' ' ' GLN . 5.9 t 57.95 158.84 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.302 -1.49 0 O-C-N 121.579 -0.7 . . . . 0.0 109.383 179.158 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 . . . . . 0 C--N 1.298 -1.65 0 O-C-N 120.907 -1.121 . . . . 0.0 108.745 179.719 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . 0.426 ' O ' HD12 ' B' ' 5' ' ' ILE . 81.2 m-85 . . . . . 0 N--CA 1.488 1.429 0 CA-C-O 121.185 0.517 . . . . 0.0 110.325 . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 40.7 mt -69.01 -35.39 76.61 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.057 -1.027 . . . . 0.0 111.176 -177.685 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 54.9 t0 -60.38 -52.47 65.12 Favored 'General case' 0 N--CA 1.502 2.143 0 O-C-N 120.581 -1.324 . . . . 0.0 110.658 -178.882 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.28 -43.45 95.21 Favored Glycine 0 N--CA 1.493 2.471 0 N-CA-C 109.431 -1.468 . . . . 0.0 109.431 -179.814 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.426 HD12 ' O ' ' B' ' 1' ' ' PHE . 76.3 mt -59.69 -38.96 78.29 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.427 0 O-C-N 121.562 -0.963 . . . . 0.0 111.003 -179.45 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -58.06 -45.27 87.37 Favored 'General case' 0 C--N 1.299 -1.603 0 C-N-CA 118.475 -1.29 . . . . 0.0 108.829 -178.399 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 58.3 mttp -70.17 -39.67 75.16 Favored 'General case' 0 N--CA 1.487 1.406 0 C-N-CA 118.977 -1.089 . . . . 0.0 109.214 179.617 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.53 -40.55 85.08 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.356 -0.84 . . . . 0.0 109.402 179.904 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 57.9 tt0 -55.87 -40.83 73.49 Favored 'General case' 0 C--N 1.303 -1.423 0 C-N-CA 119.326 -0.949 . . . . 0.0 110.011 -178.513 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -62.4 -41.13 98.42 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.084 -1.01 . . . . 0.0 109.448 -179.91 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . 0.401 ' OE1' ' OG ' ' B' ' 17' ' ' SER . 13.7 tm-20 -61.17 -42.96 99.49 Favored 'General case' 0 C--N 1.305 -1.353 0 C-N-CA 119.59 -0.844 . . . . 0.0 109.127 179.155 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . 0.563 ' O ' ' N ' ' B' ' 16' ' ' HIS . 15.0 t60 -61.85 -44.7 96.3 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.137 -0.977 . . . . 0.0 110.134 -179.404 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 40.7 tp10 -60.31 -43.1 96.63 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.861 -1.15 . . . . 0.0 110.672 -179.503 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 49.4 mtmt -63.09 -36.3 83.13 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.16 -0.963 . . . . 0.0 112.458 -178.885 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 44.9 m-85 -133.96 -1.05 3.03 Favored 'General case' 0 N--CA 1.508 2.457 0 O-C-N 120.887 -1.133 . . . . 0.0 112.687 -176.618 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.563 ' N ' ' O ' ' B' ' 12' ' ' HIS . 92.4 m-70 52.03 42.01 30.15 Favored 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 107.351 -1.352 . . . . 0.0 107.351 -178.358 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . 0.401 ' OG ' ' OE1' ' B' ' 11' ' ' GLU . 11.8 p -61.87 151.94 33.16 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.873 -0.517 . . . . 0.0 110.215 -178.405 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 28.3 m120 -70.71 150.7 45.67 Favored 'General case' 0 C--N 1.306 -1.29 0 C-N-CA 119.408 -0.917 . . . . 0.0 108.698 179.406 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 43.7 p-90 -52.23 -30.03 25.56 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.545 -0.722 . . . . 0.0 109.616 -179.504 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -62.99 -43.94 97.41 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 120.776 -1.202 . . . . 0.0 110.198 179.848 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.51 -44.64 70.63 Favored 'General case' 0 C--N 1.298 -1.663 0 O-C-N 120.917 -1.114 . . . . 0.0 108.878 -179.835 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 26.7 mtp -61.15 -43.56 98.68 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.671 -0.643 . . . . 0.0 109.937 179.985 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.508 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -59.47 -43.46 93.24 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.003 -1.061 . . . . 0.0 109.269 179.603 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 45.6 m -70.16 -36.54 74.79 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.257 -0.902 . . . . 0.0 109.793 179.441 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 67.9 t0 -60.35 -41.64 94.07 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.482 -0.761 . . . . 0.0 110.0 -179.866 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -109.97 4.42 21.4 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.613 -0.679 . . . . 0.0 110.72 -179.773 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.508 ' N ' ' O ' ' B' ' 23' ' ' ALA . 75.6 m-20 52.89 47.0 25.63 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.109 -0.995 . . . . 0.0 110.263 179.307 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 82.2 mt -113.21 151.88 44.64 Favored Pre-proline 0 N--CA 1.506 2.33 0 O-C-N 121.166 -0.959 . . . . 0.0 108.93 179.806 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_endo -59.88 161.7 17.97 Favored 'Trans proline' 0 N--CA 1.495 1.593 0 C-N-CA 121.766 1.644 . . . . 0.0 110.633 179.799 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_endo -56.41 -37.95 96.16 Favored 'Trans proline' 0 C--N 1.301 -1.95 0 C-N-CA 122.413 2.076 . . . . 0.0 111.586 -179.338 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 96.8 t -55.53 -48.9 76.78 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.102 -0.999 . . . . 0.0 110.765 -178.565 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 78.4 t -66.84 -45.8 86.8 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.67 0 C-N-CA 117.804 -1.558 . . . . 0.0 108.933 -178.743 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.73 -45.75 70.71 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.075 -1.015 . . . . 0.0 110.451 179.709 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 52.1 mtpt -61.36 -33.95 74.49 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.149 -0.97 . . . . 0.0 110.641 -179.957 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . 0.417 ' OE1' ' C ' ' B' ' 35' ' ' GLU . 12.8 tm-20 -62.64 -39.73 94.78 Favored 'General case' 0 C--N 1.3 -1.558 0 C-N-CA 118.834 -1.146 . . . . 0.0 109.446 -179.149 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 86.3 mt -59.64 -38.58 76.34 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.539 0 O-C-N 121.055 -1.028 . . . . 0.0 108.433 179.554 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 58.2 t -63.89 -39.91 87.16 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 121.308 -0.87 . . . . 0.0 108.719 179.301 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . 0.504 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -61.18 -30.28 70.32 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.389 -0.819 . . . . 0.0 109.125 179.157 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 48.9 m -77.75 -24.82 48.93 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.314 -0.866 . . . . 0.0 108.955 179.933 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 41.7 t -82.15 100.98 10.14 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.103 -0.998 . . . . 0.0 108.527 178.965 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -60.39 -30.25 69.47 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.789 -1.194 . . . . 0.0 110.737 -179.311 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -69.95 -39.89 75.76 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 120.859 -1.151 . . . . 0.0 111.058 -178.839 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 58.2 m -82.74 -23.84 33.81 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.783 -1.198 . . . . 0.0 109.907 -179.898 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . 0.504 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 8.5 tt0 -75.94 -72.67 0.31 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.16 -0.963 . . . . 0.0 109.51 -179.898 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 50.9 mt -84.66 96.01 9.08 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.346 -0.846 . . . . 0.0 108.889 179.426 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 48.3 mtmt -92.74 10.17 31.92 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 122.077 -0.39 . . . . 0.0 109.971 179.993 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 102.5 -175.32 24.49 Favored Glycine 0 N--CA 1.501 2.998 0 N-CA-C 109.992 -1.243 . . . . 0.0 109.992 -179.795 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 73.2 tt0 53.16 43.36 31.68 Favored 'General case' 0 C--N 1.305 -1.328 0 O-C-N 121.139 -1.212 . . . . 0.0 108.814 178.974 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . 0.432 ' HB3' ' H ' ' A' ' 50' ' ' MET . . . -98.46 -107.15 0.19 Allowed 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.386 -0.821 . . . . 0.0 110.082 -179.146 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . 0.54 ' O ' ' O ' ' A' ' 50' ' ' MET . 17.8 tpt -90.14 128.75 36.42 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.239 -0.913 . . . . 0.0 108.906 -179.619 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -86.76 141.97 28.48 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 120.879 -1.138 . . . . 0.0 109.43 179.684 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -85.7 -136.03 3.88 Favored Glycine 0 N--CA 1.488 2.122 0 N-CA-C 109.092 -1.603 . . . . 0.0 109.092 179.577 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . 0.409 ' O ' ' O ' ' B' ' 54' ' ' VAL . 37.1 mt-30 -66.24 147.81 52.77 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.123 -1.222 . . . . 0.0 109.944 -179.659 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.409 ' O ' ' O ' ' B' ' 53' ' ' GLN . 4.7 t 58.85 159.29 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 O-C-N 121.192 -0.942 . . . . 0.0 109.682 179.064 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 . . . . . 0 C--N 1.303 -1.424 0 CA-C-O 118.044 -0.979 . . . . 0.0 109.137 -179.926 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 . . . . . 0 N--CA 1.489 1.489 0 CA-C-O 121.151 0.5 . . . . 0.0 109.796 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 20.3 mt -75.39 -42.08 54.72 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.431 -0.793 . . . . 0.0 111.06 -178.756 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -65.1 -49.42 70.06 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.287 -0.883 . . . . 0.0 111.097 -178.175 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.59 -47.48 86.57 Favored Glycine 0 N--CA 1.494 2.528 0 N-CA-C 110.18 -1.168 . . . . 0.0 110.18 -179.085 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.552 HD11 HG11 ' B' ' 31' ' ' VAL . 96.5 mt -59.79 -40.38 82.42 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.504 0 O-C-N 121.309 -1.113 . . . . 0.0 110.584 -179.878 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -51.95 -42.1 62.59 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 120.841 -1.162 . . . . 0.0 109.04 -179.377 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 48.0 mttm -70.65 -46.6 62.95 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.199 -0.938 . . . . 0.0 109.831 178.349 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.42 -34.31 77.99 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.683 -0.635 . . . . 0.0 109.673 179.921 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -59.06 -39.85 83.36 Favored 'General case' 0 C--N 1.306 -1.285 0 C-N-CA 119.445 -0.902 . . . . 0.0 108.807 -179.351 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 37.0 tp10 -62.34 -40.65 97.06 Favored 'General case' 0 N--CA 1.486 1.355 0 O-C-N 120.921 -1.112 . . . . 0.0 108.752 179.248 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -60.82 -39.9 90.71 Favored 'General case' 0 N--CA 1.486 1.328 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 179.705 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.562 ' O ' ' N ' ' A' ' 16' ' ' HIS . 17.3 t60 -61.55 -45.44 94.15 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 119.458 -0.897 . . . . 0.0 109.898 179.705 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -60.66 -43.51 97.57 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.127 -0.983 . . . . 0.0 110.239 -179.178 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 46.4 mtmt -60.73 -33.82 73.48 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 112.955 0.724 . . . . 0.0 112.955 -178.52 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -136.78 -5.68 1.94 Allowed 'General case' 0 N--CA 1.506 2.375 0 O-C-N 121.018 -1.051 . . . . 0.0 112.463 -177.096 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.562 ' N ' ' O ' ' A' ' 12' ' ' HIS . 89.9 m-70 54.73 42.43 31.21 Favored 'General case' 0 N--CA 1.496 1.869 0 N-CA-C 107.558 -1.275 . . . . 0.0 107.558 -177.621 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 91.3 p -65.87 154.8 38.23 Favored 'General case' 0 C--N 1.303 -1.44 0 CA-C-O 121.567 0.699 . . . . 0.0 110.697 -178.518 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -70.91 159.98 33.68 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.493 -0.755 . . . . 0.0 109.337 179.413 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 51.0 p-90 -57.29 -30.32 64.62 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.054 -1.029 . . . . 0.0 110.332 -179.779 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 83.4 mtm180 -62.69 -41.72 99.25 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.108 -0.995 . . . . 0.0 110.51 -179.818 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.13 -47.87 66.95 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.988 -1.07 . . . . 0.0 109.513 -179.371 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 78.1 mtm -60.83 -40.34 92.42 Favored 'General case' 0 C--N 1.301 -1.505 0 C-N-CA 119.546 -0.861 . . . . 0.0 109.662 179.548 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.49 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -57.81 -46.01 85.3 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.224 -0.923 . . . . 0.0 109.328 -179.672 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 28.9 t -69.99 -38.76 76.11 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.066 -1.021 . . . . 0.0 109.929 179.546 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 -59.89 -40.48 88.87 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.236 -0.915 . . . . 0.0 110.652 -178.861 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -109.11 0.31 19.77 Favored 'General case' 0 N--CA 1.502 2.128 0 O-C-N 121.492 -0.755 . . . . 0.0 110.007 -179.688 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.49 ' N ' ' O ' ' A' ' 23' ' ' ALA . 19.4 m120 54.82 47.13 23.05 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.457 -0.777 . . . . 0.0 109.369 179.765 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 40.9 mt -111.1 152.37 43.67 Favored Pre-proline 0 N--CA 1.5 2.04 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 179.747 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -60.33 160.87 21.81 Favored 'Trans proline' 0 C--N 1.312 -1.379 0 C-N-CA 121.615 1.543 . . . . 0.0 110.957 179.634 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -55.01 -34.7 87.95 Favored 'Trans proline' 0 C--N 1.301 -1.963 0 C-N-CA 122.439 2.093 . . . . 0.0 111.905 -179.69 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.629 HG11 HD11 ' B' ' 5' ' ' ILE . 63.5 t -56.61 -48.22 80.91 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.728 0 O-C-N 120.954 -1.091 . . . . 0.0 110.441 -178.713 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 61.8 t -67.77 -46.53 82.29 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.861 0 C-N-CA 118.53 -1.268 . . . . 0.0 109.152 -178.93 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.12 -46.91 75.89 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.393 -0.817 . . . . 0.0 110.037 179.728 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 37.2 mtmt -61.39 -35.32 77.17 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.768 -1.207 . . . . 0.0 110.381 179.731 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.4 tm-20 -60.25 -39.85 88.23 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.118 -0.988 . . . . 0.0 109.826 -178.954 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 45.3 mt -59.84 -39.78 80.9 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.446 0 O-C-N 121.19 -0.944 . . . . 0.0 108.938 -179.659 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 81.6 t -62.35 -38.21 80.62 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 O-C-N 121.026 -1.046 . . . . 0.0 108.724 179.355 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.5 -30.53 69.77 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.428 -0.795 . . . . 0.0 109.364 179.755 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 66.6 m -80.51 -27.58 37.67 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.3 -0.875 . . . . 0.0 110.183 -179.574 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 48.0 t -82.58 102.37 11.37 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 120.94 -1.1 . . . . 0.0 109.152 -179.89 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -60.41 -29.64 69.1 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.509 -0.744 . . . . 0.0 110.193 179.956 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -70.01 -40.64 75.12 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.034 -1.041 . . . . 0.0 110.689 -178.392 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 91.1 m -87.53 -23.37 24.4 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.001 -1.062 . . . . 0.0 109.916 179.827 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -75.01 -67.99 0.59 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.32 -0.863 . . . . 0.0 110.24 -179.54 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 67.1 mt -82.68 98.25 8.96 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.19 -0.943 . . . . 0.0 109.917 -179.796 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.55 ' O ' ' N ' ' A' ' 48' ' ' GLU . 7.3 pttm -97.83 155.19 17.16 Favored 'General case' 0 N--CA 1.494 1.768 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 178.397 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -48.48 87.91 0.01 OUTLIER Glycine 0 N--CA 1.492 2.385 0 N-CA-C 110.129 -1.189 . . . . 0.0 110.129 -179.491 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.55 ' N ' ' O ' ' A' ' 46' ' ' LYS . 87.7 tt0 -162.64 -23.12 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.194 -1.18 . . . . 0.0 109.217 179.917 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -84.35 0.05 50.76 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.417 -0.802 . . . . 0.0 109.85 -179.771 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 76.6 mtp -60.92 138.04 58.18 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.062 -1.024 . . . . 0.0 109.616 179.926 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 75.9 m80 -117.52 125.2 50.45 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.485 -0.76 . . . . 0.0 109.399 179.645 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -91.26 95.67 2.1 Favored Glycine 0 N--CA 1.494 2.547 0 N-CA-C 108.934 -1.666 . . . . 0.0 108.934 179.235 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -76.6 151.49 36.24 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 120.991 -1.299 . . . . 0.0 109.111 -179.88 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.2 t 60.68 163.61 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.413 -0.804 . . . . 0.0 109.287 -179.147 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 38.2 t0 . . . . . 0 N--CA 1.496 1.856 0 CA-C-O 117.933 -1.032 . . . . 0.0 109.44 179.694 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 73.6 m-85 . . . . . 0 N--CA 1.485 1.314 0 CA-C-O 121.26 0.552 . . . . 0.0 109.724 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 23.3 mt -73.91 -42.48 60.58 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.256 -0.902 . . . . 0.0 111.075 -178.686 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -65.11 -49.18 70.98 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.009 -1.057 . . . . 0.0 111.153 -178.424 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.96 -48.21 82.47 Favored Glycine 0 N--CA 1.49 2.297 0 N-CA-C 110.244 -1.143 . . . . 0.0 110.244 -179.084 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.629 HD11 HG11 ' A' ' 31' ' ' VAL . 96.3 mt -59.83 -39.96 81.36 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.562 0 O-C-N 121.322 -1.105 . . . . 0.0 110.738 -179.453 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -51.99 -42.28 62.84 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 120.842 -1.161 . . . . 0.0 108.725 -178.803 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 47.2 mttm -70.42 -46.3 64.21 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.216 -0.927 . . . . 0.0 109.609 178.672 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.28 -34.69 78.56 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.518 -0.739 . . . . 0.0 109.605 -179.726 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 59.5 tt0 -58.52 -40.14 82.07 Favored 'General case' 0 C--N 1.3 -1.559 0 C-N-CA 119.416 -0.914 . . . . 0.0 108.843 -179.407 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 37.6 tp10 -62.05 -40.69 96.62 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 119.004 -1.079 . . . . 0.0 108.543 179.079 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -60.83 -39.91 90.79 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 179.528 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . 0.577 ' O ' ' N ' ' B' ' 16' ' ' HIS . 17.6 t60 -61.55 -46.18 90.99 Favored 'General case' 0 C--N 1.306 -1.306 0 C-N-CA 119.673 -0.811 . . . . 0.0 109.801 179.437 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -60.28 -43.52 96.16 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.326 -0.859 . . . . 0.0 110.356 -179.155 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 45.0 mtmt -60.46 -35.71 76.52 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.36 -0.838 . . . . 0.0 112.669 -178.63 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -134.66 -5.6 2.51 Favored 'General case' 0 N--CA 1.509 2.483 0 O-C-N 120.722 -1.236 . . . . 0.0 112.737 -177.032 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.577 ' N ' ' O ' ' B' ' 12' ' ' HIS . 89.0 m-70 55.2 41.23 31.66 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 120.593 -1.317 . . . . 0.0 107.519 -177.8 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 96.4 p -64.93 155.29 34.84 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.563 -0.711 . . . . 0.0 110.725 -178.248 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 -71.13 160.53 32.71 Favored 'General case' 0 N--CA 1.491 1.606 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 179.719 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 49.7 p-90 -57.68 -30.11 65.19 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.197 -0.94 . . . . 0.0 110.247 -179.811 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 82.8 mtm180 -63.06 -41.66 99.5 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.902 -1.124 . . . . 0.0 110.555 -179.797 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.0 -47.5 68.33 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.263 -0.898 . . . . 0.0 109.656 -179.449 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 78.7 mtm -61.62 -39.59 91.81 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.186 -0.947 . . . . 0.0 109.614 179.625 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.485 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -57.79 -45.76 85.57 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.287 -0.883 . . . . 0.0 109.159 179.916 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 23.2 t -70.07 -38.79 75.82 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.296 -0.877 . . . . 0.0 109.885 179.918 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -60.33 -41.01 92.64 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.165 -0.96 . . . . 0.0 110.576 -178.917 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -108.14 0.1 21.38 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.367 -0.833 . . . . 0.0 110.017 -179.926 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.485 ' N ' ' O ' ' B' ' 23' ' ' ALA . 18.6 m120 55.13 48.32 19.85 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.237 -0.914 . . . . 0.0 109.291 179.88 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 41.4 mt -112.21 152.47 44.45 Favored Pre-proline 0 N--CA 1.503 2.221 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 179.63 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -60.17 160.94 21.01 Favored 'Trans proline' 0 N--CA 1.49 1.303 0 C-N-CA 121.324 1.349 . . . . 0.0 110.949 179.448 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -55.6 -33.76 87.95 Favored 'Trans proline' 0 C--N 1.304 -1.786 0 C-N-CA 122.508 2.139 . . . . 0.0 112.169 -179.579 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.552 HG11 HD11 ' A' ' 5' ' ' ILE . 62.2 t -56.96 -48.52 81.46 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.762 0 O-C-N 120.821 -1.174 . . . . 0.0 110.211 -179.045 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 60.1 t -67.36 -47.14 82.03 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.874 0 C-N-CA 118.545 -1.262 . . . . 0.0 109.285 -178.776 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.26 -45.62 79.91 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.255 -0.903 . . . . 0.0 110.172 179.943 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 36.1 mtmt -61.77 -36.07 79.99 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.784 -1.198 . . . . 0.0 110.182 179.631 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 14.2 tm-20 -59.85 -39.93 86.83 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.011 -1.056 . . . . 0.0 110.188 -179.028 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 46.4 mt -59.94 -39.99 81.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.525 0 O-C-N 121.003 -1.061 . . . . 0.0 108.765 179.943 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 76.6 t -62.04 -37.93 79.57 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.201 -0.937 . . . . 0.0 108.855 178.943 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . 0.526 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -60.71 -31.83 71.1 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.539 -0.726 . . . . 0.0 109.702 179.694 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 66.1 m -79.58 -26.97 41.17 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.295 -0.878 . . . . 0.0 109.976 -179.437 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 49.7 t -82.73 102.58 11.63 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.754 -1.216 . . . . 0.0 109.413 179.844 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -60.84 -29.68 69.65 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.332 -0.855 . . . . 0.0 110.159 -179.858 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -69.54 -41.22 76.24 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.054 -1.029 . . . . 0.0 110.74 -178.669 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 86.7 m -87.26 -22.7 25.03 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.005 -1.06 . . . . 0.0 109.836 179.858 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . 0.526 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 7.2 tt0 -75.7 -68.8 0.53 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.405 -0.81 . . . . 0.0 109.94 -179.394 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 63.5 mt -82.15 97.38 8.18 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.228 -0.92 . . . . 0.0 110.013 -179.631 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . 0.548 ' O ' ' N ' ' B' ' 48' ' ' GLU . 8.8 pttm -97.14 156.29 16.46 Favored 'General case' 0 N--CA 1.495 1.819 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 178.49 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -48.86 88.1 0.01 OUTLIER Glycine 0 N--CA 1.494 2.519 0 N-CA-C 110.106 -1.198 . . . . 0.0 110.106 -179.67 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . 0.548 ' N ' ' O ' ' B' ' 46' ' ' LYS . 87.8 tt0 -162.8 -25.2 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.079 -1.248 . . . . 0.0 109.269 179.759 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -82.09 -0.6 45.35 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.447 -0.783 . . . . 0.0 110.152 -179.592 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 77.9 mtp -60.32 137.84 58.06 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.214 -0.929 . . . . 0.0 109.853 -179.886 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 73.8 m80 -117.42 125.45 50.98 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.516 -0.74 . . . . 0.0 109.593 179.41 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -91.45 96.12 2.14 Favored Glycine 0 N--CA 1.491 2.33 0 N-CA-C 108.778 -1.729 . . . . 0.0 108.778 179.406 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -77.25 152.01 34.85 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.0 -1.294 . . . . 0.0 108.818 179.965 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 3.4 t 60.26 162.74 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.282 -0.886 . . . . 0.0 109.227 -178.995 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 41.1 t0 . . . . . 0 N--CA 1.495 1.801 0 O-C-N 121.103 -0.998 . . . . 0.0 109.484 179.673 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.498 ' O ' HD12 ' A' ' 5' ' ' ILE . 56.7 m-85 . . . . . 0 N--CA 1.49 1.56 0 CA-C-O 121.476 0.655 . . . . 0.0 109.405 . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 21.5 mt -70.03 -39.05 76.01 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.258 -0.901 . . . . 0.0 111.657 -178.187 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -61.3 -50.33 73.41 Favored 'General case' 0 C--N 1.298 -1.653 0 O-C-N 120.886 -1.134 . . . . 0.0 111.595 -177.052 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.26 -44.33 66.38 Favored Glycine 0 N--CA 1.494 2.53 0 N-CA-C 110.038 -1.225 . . . . 0.0 110.038 -179.014 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.498 HD12 ' O ' ' A' ' 1' ' ' PHE . 88.7 mt -59.41 -39.18 78.45 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.642 0 O-C-N 121.889 -0.771 . . . . 0.0 110.189 -179.533 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 85.8 m-20 -56.55 -47.22 79.92 Favored 'General case' 0 C--N 1.3 -1.544 0 C-N-CA 118.315 -1.354 . . . . 0.0 108.478 -179.569 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -68.08 -45.44 73.76 Favored 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 119.375 -0.93 . . . . 0.0 109.113 179.061 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.83 -39.04 93.09 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.229 -0.919 . . . . 0.0 110.175 179.709 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -56.29 -40.62 74.59 Favored 'General case' 0 N--CA 1.485 1.275 0 O-C-N 121.491 -0.756 . . . . 0.0 109.753 -179.527 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 65.7 tt0 -60.12 -40.31 89.26 Favored 'General case' 0 N--CA 1.486 1.326 0 O-C-N 121.088 -1.007 . . . . 0.0 109.158 178.683 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 24.7 tp10 -60.23 -39.86 88.16 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 179.073 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.53 ' O ' ' N ' ' A' ' 16' ' ' HIS . 14.0 t60 -60.97 -48.17 83.07 Favored 'General case' 0 C--N 1.304 -1.397 0 C-N-CA 119.419 -0.912 . . . . 0.0 109.51 179.761 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -59.57 -41.39 90.1 Favored 'General case' 0 C--N 1.297 -1.712 0 O-C-N 121.076 -1.015 . . . . 0.0 110.374 -179.318 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt -60.88 -30.9 70.43 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.971 -1.081 . . . . 0.0 112.799 -179.012 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -140.28 -8.13 1.16 Allowed 'General case' 0 N--CA 1.513 2.721 0 O-C-N 120.66 -1.275 . . . . 0.0 112.869 -176.874 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.53 ' N ' ' O ' ' A' ' 12' ' ' HIS . 90.7 m-70 56.84 41.65 27.68 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 120.543 -1.348 . . . . 0.0 107.794 -177.025 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 88.5 p -61.36 159.06 13.19 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.427 -0.796 . . . . 0.0 110.686 -179.449 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -74.21 160.1 31.62 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.213 -0.929 . . . . 0.0 108.96 179.694 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 37.1 p-90 -57.19 -30.34 64.45 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 120.505 -1.372 . . . . 0.0 110.063 -179.503 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -63.5 -39.8 95.39 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.027 -1.046 . . . . 0.0 110.888 179.977 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.52 -49.82 56.7 Favored 'General case' 0 N--CA 1.486 1.375 0 O-C-N 120.987 -1.071 . . . . 0.0 108.641 -179.853 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 78.3 mtm -59.11 -41.27 87.77 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.172 -0.955 . . . . 0.0 109.329 179.377 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.511 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -58.41 -48.75 79.67 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.949 -1.094 . . . . 0.0 108.737 179.123 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 8.6 t -68.7 -36.82 78.97 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.144 -0.973 . . . . 0.0 110.465 179.767 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -60.28 -40.13 89.33 Favored 'General case' 0 N--CA 1.492 1.648 0 C-N-CA 118.898 -1.121 . . . . 0.0 110.593 -178.895 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -111.9 2.75 17.15 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.366 -0.834 . . . . 0.0 109.921 -179.471 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.511 ' N ' ' O ' ' A' ' 23' ' ' ALA . 86.9 m-20 56.36 45.28 23.11 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.46 -0.775 . . . . 0.0 110.501 179.973 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 48.6 mt -109.28 152.74 42.79 Favored Pre-proline 0 N--CA 1.503 2.209 0 O-C-N 121.354 -0.842 . . . . 0.0 108.996 179.695 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_endo -61.59 145.9 97.33 Favored 'Trans proline' 0 N--CA 1.496 1.621 0 C-N-CA 122.116 1.877 . . . . 0.0 111.462 179.739 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_exo -39.7 -38.19 1.66 Allowed 'Trans proline' 0 C--N 1.314 -1.261 0 C-N-CA 122.086 1.858 . . . . 0.0 112.82 -179.944 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 90.6 t -54.51 -49.32 66.92 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.899 0 O-C-N 120.822 -1.174 . . . . 0.0 110.734 -178.199 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.492 HG13 HD11 ' A' ' 5' ' ' ILE . 57.3 t -65.95 -46.22 88.93 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.08 0 C-N-CA 118.01 -1.476 . . . . 0.0 109.629 -178.978 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.45 -45.03 77.2 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.351 -0.843 . . . . 0.0 110.124 -179.758 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 43.7 mtmt -61.45 -36.44 80.41 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 120.646 -1.284 . . . . 0.0 110.331 179.834 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.4 tm-20 -60.1 -39.6 86.71 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 120.842 -1.161 . . . . 0.0 109.907 -179.459 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 90.0 mt -59.9 -39.73 80.86 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.295 0 O-C-N 120.595 -1.316 . . . . 0.0 109.336 179.644 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 78.6 t -61.52 -40.36 86.18 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 O-C-N 121.1 -1.0 . . . . 0.0 108.884 179.078 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.22 -35.87 74.4 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.988 -1.07 . . . . 0.0 109.742 -179.845 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 40.7 m -73.88 -27.08 60.88 Favored 'General case' 0 C--N 1.297 -1.701 0 C-N-CA 119.755 -0.778 . . . . 0.0 109.188 179.595 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 41.6 t -84.62 106.23 16.02 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.131 -0.981 . . . . 0.0 109.665 179.97 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 59.1 m-20 -62.1 -30.81 71.27 Favored 'General case' 0 N--CA 1.504 2.255 0 O-C-N 121.347 -0.846 . . . . 0.0 111.091 -179.403 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 65.6 mttp -69.88 -38.9 76.53 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 120.688 -1.257 . . . . 0.0 110.412 -178.942 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 88.5 m -89.27 -16.38 31.31 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.991 -1.068 . . . . 0.0 109.494 179.617 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -70.63 -65.51 0.72 Allowed 'General case' 0 N--CA 1.497 1.893 0 O-C-N 120.714 -1.241 . . . . 0.0 109.358 179.835 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 44.3 mt -83.75 98.21 9.56 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 178.98 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.7 tmtm? -92.54 136.0 33.59 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.521 -0.737 . . . . 0.0 109.748 -179.142 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.433 ' O ' ' O ' ' A' ' 48' ' ' GLU . . . 65.43 50.24 56.48 Favored Glycine 0 N--CA 1.494 2.538 0 N-CA-C 109.886 -1.286 . . . . 0.0 109.886 -179.833 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.433 ' O ' ' O ' ' A' ' 47' ' ' GLY . 79.4 mt-10 53.7 174.56 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.567 -0.961 . . . . 0.0 108.631 -179.924 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -111.55 -151.68 0.49 Allowed 'General case' 0 N--CA 1.498 1.935 0 O-C-N 120.979 -1.076 . . . . 0.0 109.828 179.92 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.423 ' O ' ' O ' ' B' ' 50' ' ' MET . 9.0 ttt -57.42 146.4 29.51 Favored 'General case' 0 N--CA 1.485 1.296 0 O-C-N 121.693 -0.629 . . . . 0.0 109.687 -179.855 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 91.0 m-70 -91.32 9.52 31.16 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.362 -0.836 . . . . 0.0 109.442 -179.903 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.407 ' H ' ' HG2' ' A' ' 50' ' ' MET . . . 75.87 -135.91 18.81 Favored Glycine 0 N--CA 1.493 2.438 0 N-CA-C 110.334 -1.106 . . . . 0.0 110.334 -179.851 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.472 ' C ' ' H ' ' A' ' 55' ' ' ASP . 99.0 mm-40 -81.94 -167.91 1.72 Allowed 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.308 -1.113 . . . . 0.0 109.318 -179.843 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 6.6 t 56.16 6.66 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.894 0 O-C-N 121.388 -0.82 . . . . 0.0 109.642 179.382 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.472 ' H ' ' C ' ' A' ' 53' ' ' GLN . 24.4 p-10 . . . . . 0 C--N 1.29 -2.021 0 O-C-N 121.465 -0.772 . . . . 0.0 110.021 179.935 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . 0.443 ' O ' HD12 ' B' ' 5' ' ' ILE . 53.2 m-85 . . . . . 0 N--CA 1.493 1.693 0 CA-C-O 121.765 0.793 . . . . 0.0 109.255 . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 24.6 mt -70.05 -36.96 75.4 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.098 -1.001 . . . . 0.0 112.096 -178.274 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -64.29 -49.14 72.98 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.606 -1.309 . . . . 0.0 110.959 -178.098 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.09 -46.29 59.13 Favored Glycine 0 N--CA 1.493 2.441 0 O-C-N 120.544 -1.348 . . . . 0.0 109.927 -179.374 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.458 HD11 HG13 ' B' ' 32' ' ' VAL . 97.0 mt -58.12 -39.45 72.93 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.499 0 O-C-N 121.471 -1.017 . . . . 0.0 110.468 -178.995 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -56.55 -46.7 80.56 Favored 'General case' 0 C--N 1.301 -1.517 0 C-N-CA 118.87 -1.132 . . . . 0.0 108.139 179.861 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 34.5 ttmt -69.41 -42.08 75.52 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.144 -0.972 . . . . 0.0 109.778 178.584 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.14 -36.03 82.05 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.684 -0.635 . . . . 0.0 109.734 179.555 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 -58.59 -40.4 83.09 Favored 'General case' 0 C--N 1.3 -1.544 0 C-N-CA 119.661 -0.816 . . . . 0.0 109.683 -179.597 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 73.1 tt0 -61.22 -39.96 92.23 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.582 -1.324 . . . . 0.0 109.034 179.027 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 27.1 tp10 -60.13 -39.43 86.22 Favored 'General case' 0 N--CA 1.494 1.76 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 179.184 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . 0.54 ' O ' ' N ' ' B' ' 16' ' ' HIS . 12.7 t60 -61.64 -46.32 90.29 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.353 -0.842 . . . . 0.0 109.702 179.43 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.51 -42.93 97.38 Favored 'General case' 0 C--N 1.298 -1.632 0 O-C-N 120.763 -1.21 . . . . 0.0 110.48 -179.98 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -60.44 -30.81 69.88 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.144 -0.973 . . . . 0.0 112.528 -179.023 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -140.44 -7.43 1.15 Allowed 'General case' 0 N--CA 1.511 2.582 0 O-C-N 120.292 -1.505 . . . . 0.0 112.904 -176.878 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.54 ' N ' ' O ' ' B' ' 12' ' ' HIS . 89.8 m-70 55.12 41.7 31.4 Favored 'General case' 0 N--CA 1.495 1.824 0 N-CA-C 107.335 -1.357 . . . . 0.0 107.335 -177.344 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 97.8 p -62.0 159.44 14.3 Favored 'General case' 0 C--N 1.309 -1.157 0 O-C-N 121.32 -0.862 . . . . 0.0 110.416 -178.67 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -74.11 160.5 31.14 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.119 -0.988 . . . . 0.0 109.128 179.724 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 35.7 p-90 -56.81 -30.5 63.79 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.943 -1.098 . . . . 0.0 110.242 -179.634 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -62.57 -40.33 96.5 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.723 -1.236 . . . . 0.0 110.433 179.867 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.51 -48.01 65.5 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 120.969 -1.082 . . . . 0.0 109.21 -179.845 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 78.7 mtm -61.37 -41.01 96.4 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.18 -0.95 . . . . 0.0 109.72 179.586 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -58.58 -47.21 85.05 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.387 -0.82 . . . . 0.0 109.086 179.363 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 16.1 t -70.67 -36.06 73.16 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.322 -0.861 . . . . 0.0 110.122 179.998 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 85.6 m-20 -60.6 -37.69 82.22 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.213 -0.93 . . . . 0.0 110.152 -178.362 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -114.82 3.5 14.65 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.548 -0.72 . . . . 0.0 110.036 -179.707 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.462 ' N ' ' O ' ' B' ' 23' ' ' ALA . 87.4 m-20 54.64 45.34 27.03 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.437 -0.789 . . . . 0.0 110.201 -179.623 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 69.2 mt -108.84 152.67 42.45 Favored Pre-proline 0 N--CA 1.506 2.346 0 O-C-N 121.396 -0.815 . . . . 0.0 109.12 179.535 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -62.09 147.73 94.53 Favored 'Trans proline' 0 N--CA 1.494 1.557 0 C-N-CA 121.778 1.652 . . . . 0.0 111.256 -179.946 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_exo -41.71 -38.02 4.18 Favored 'Trans proline' 0 C--N 1.312 -1.354 0 C-N-CA 122.57 2.18 . . . . 0.0 112.62 -179.847 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 84.3 t -54.73 -47.31 73.85 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.809 0 O-C-N 121.353 -0.842 . . . . 0.0 111.04 -178.045 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . 0.458 HG13 HD11 ' B' ' 5' ' ' ILE . 60.5 t -67.21 -48.27 78.94 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.077 0 C-N-CA 118.389 -1.325 . . . . 0.0 109.136 -179.439 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.4 -45.65 83.13 Favored 'General case' 0 N--CA 1.493 1.678 0 C-N-CA 120.24 -0.584 . . . . 0.0 110.314 179.867 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 44.0 mtmt -61.81 -35.04 77.03 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 120.854 -1.154 . . . . 0.0 110.031 -179.91 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 14.7 tm-20 -61.23 -38.0 85.06 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 120.915 -1.116 . . . . 0.0 110.571 -178.84 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 89.6 mt -61.35 -39.5 82.96 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.441 0 O-C-N 120.828 -1.17 . . . . 0.0 108.24 -179.408 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 72.5 t -61.34 -38.98 81.15 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.611 0 O-C-N 121.295 -0.878 . . . . 0.0 109.542 178.754 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . 0.5 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -59.52 -36.72 76.65 Favored 'General case' 0 C--N 1.297 -1.677 0 O-C-N 121.216 -0.928 . . . . 0.0 109.172 -179.988 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 39.4 m -72.1 -28.85 63.57 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.467 -0.77 . . . . 0.0 110.122 179.851 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 37.6 t -84.42 104.69 14.65 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.159 -0.963 . . . . 0.0 109.739 -179.734 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -60.34 -30.71 69.7 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.308 -0.87 . . . . 0.0 111.403 -179.68 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 65.0 mttp -68.56 -40.78 80.48 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.007 -1.058 . . . . 0.0 110.835 -178.883 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 90.0 m -88.19 -14.91 37.39 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.973 -1.08 . . . . 0.0 110.154 179.671 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . 0.5 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 25.5 tt0 -71.91 -67.3 0.54 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.936 -1.102 . . . . 0.0 108.913 -179.739 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 42.7 mt -82.35 99.85 9.62 Favored 'General case' 0 N--CA 1.492 1.641 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 178.661 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 2.2 tmtm? -94.55 137.2 33.97 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.246 -0.909 . . . . 0.0 109.919 -178.77 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 66.0 48.14 68.14 Favored Glycine 0 N--CA 1.489 2.208 0 N-CA-C 109.241 -1.544 . . . . 0.0 109.241 179.845 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 76.0 mt-10 55.44 179.18 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.287 -1.125 . . . . 0.0 108.751 -179.649 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -116.92 -154.69 0.56 Allowed 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.392 -0.817 . . . . 0.0 109.768 -179.447 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . 0.423 ' O ' ' O ' ' A' ' 50' ' ' MET . 8.2 ttt -56.42 145.86 26.2 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.565 -0.709 . . . . 0.0 109.825 -179.272 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 94.5 m-70 -90.87 11.18 23.44 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.491 -0.756 . . . . 0.0 109.567 179.873 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . 0.408 ' H ' ' HG2' ' B' ' 50' ' ' MET . . . 75.14 -137.61 22.29 Favored Glycine 0 N--CA 1.49 2.246 0 C-N-CA 119.607 -1.282 . . . . 0.0 110.439 179.986 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . 0.414 ' C ' ' H ' ' B' ' 55' ' ' ASP . 99.0 mm-40 -81.92 -170.63 2.95 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.372 -1.075 . . . . 0.0 109.539 -179.492 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 5.6 t 58.42 7.87 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 120.91 -1.119 . . . . 0.0 109.826 179.524 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.414 ' H ' ' C ' ' B' ' 53' ' ' GLN . 27.0 p-10 . . . . . 0 C--N 1.291 -1.962 0 CA-C-O 117.886 -1.054 . . . . 0.0 109.8 179.292 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 . . . . . 0 N--CA 1.493 1.701 0 CA-C-O 121.57 0.7 . . . . 0.0 109.534 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 25.2 mt -73.37 -22.44 60.27 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.551 -0.718 . . . . 0.0 111.829 -178.113 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 85.8 m-20 -63.35 -59.29 4.89 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.515 -1.366 . . . . 0.0 111.307 -178.553 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.43 -41.31 96.48 Favored Glycine 0 N--CA 1.492 2.427 0 C-N-CA 119.717 -1.23 . . . . 0.0 110.063 -179.375 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.463 ' O ' ' N ' ' A' ' 9' ' ' GLN . 96.4 mt -59.7 -40.42 82.32 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.525 0 O-C-N 121.327 -1.102 . . . . 0.0 110.506 -179.292 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 47.0 t0 -56.48 -44.77 80.96 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 120.935 -1.103 . . . . 0.0 108.582 -179.915 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -70.09 -43.19 71.6 Favored 'General case' 0 N--CA 1.49 1.55 0 C-N-CA 119.162 -1.015 . . . . 0.0 108.948 178.497 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.69 -35.01 79.53 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.035 -1.041 . . . . 0.0 109.564 179.582 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.463 ' N ' ' O ' ' A' ' 5' ' ' ILE . 54.2 tt0 -58.57 -40.0 81.85 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.213 -0.93 . . . . 0.0 109.397 -179.216 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -60.55 -40.33 91.17 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 119.198 -1.001 . . . . 0.0 108.812 179.181 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 21.2 tp10 -60.02 -40.34 88.95 Favored 'General case' 0 N--CA 1.486 1.364 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 179.449 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.536 ' O ' ' N ' ' A' ' 16' ' ' HIS . 17.2 t60 -60.24 -45.66 92.46 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 121.081 -1.012 . . . . 0.0 109.757 179.359 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -61.02 -42.37 98.34 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.272 -0.893 . . . . 0.0 110.332 -179.167 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -62.0 -30.07 70.7 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.39 -0.818 . . . . 0.0 112.644 -178.378 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -140.24 -7.06 1.19 Allowed 'General case' 0 N--CA 1.508 2.444 0 O-C-N 120.651 -1.281 . . . . 0.0 112.475 -177.028 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.536 ' N ' ' O ' ' A' ' 12' ' ' HIS . 84.1 m-70 54.54 39.8 31.39 Favored 'General case' 0 N--CA 1.493 1.714 0 N-CA-C 107.505 -1.295 . . . . 0.0 107.505 -177.217 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 86.0 p -65.24 157.86 27.78 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.462 -0.774 . . . . 0.0 110.648 -178.538 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -71.93 160.03 33.24 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.582 -0.699 . . . . 0.0 109.482 179.802 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 50.9 p-90 -58.87 -29.57 67.09 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.281 -0.887 . . . . 0.0 110.017 -179.647 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 61.2 mtp180 -62.73 -39.86 95.39 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.03 -1.043 . . . . 0.0 109.847 179.559 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.82 -49.41 52.86 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.128 -0.982 . . . . 0.0 109.254 179.932 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 77.7 mtm -61.35 -39.89 92.26 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.227 -0.921 . . . . 0.0 109.573 179.785 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.92 -49.26 77.37 Favored 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 119.347 -0.941 . . . . 0.0 109.443 179.872 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 16.5 m -70.73 -34.83 72.3 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.317 -0.864 . . . . 0.0 109.918 179.952 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 56.9 t0 -60.34 -44.76 95.23 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.178 -0.951 . . . . 0.0 110.831 -178.965 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -105.98 0.43 25.71 Favored 'General case' 0 N--CA 1.503 2.203 0 O-C-N 121.17 -0.956 . . . . 0.0 109.623 179.877 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 51.8 t30 59.75 49.31 8.24 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.433 -0.792 . . . . 0.0 109.958 179.588 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 51.9 mt -113.61 152.36 45.36 Favored Pre-proline 0 N--CA 1.5 2.029 0 O-C-N 121.145 -0.972 . . . . 0.0 108.688 179.755 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_endo -60.81 163.28 16.37 Favored 'Trans proline' 0 N--CA 1.492 1.406 0 C-N-CA 121.752 1.635 . . . . 0.0 110.954 179.245 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -56.5 -37.11 97.97 Favored 'Trans proline' 0 C--N 1.302 -1.881 0 C-N-CA 122.45 2.1 . . . . 0.0 112.909 -179.464 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 91.2 t -57.59 -45.65 86.31 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.037 -1.039 . . . . 0.0 110.232 -178.839 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 44.9 t -68.36 -48.57 72.41 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.782 0 C-N-CA 118.492 -1.283 . . . . 0.0 109.018 -179.48 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.68 -47.98 73.62 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.336 -0.853 . . . . 0.0 110.319 179.964 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -60.99 -34.17 74.37 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.111 -0.993 . . . . 0.0 110.141 -179.879 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.441 ' CG ' HG13 ' B' ' 31' ' ' VAL . 14.9 tm-20 -62.13 -38.34 88.58 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 120.861 -1.15 . . . . 0.0 110.065 -179.766 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 83.3 mt -59.64 -40.11 81.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 120.9 -1.125 . . . . 0.0 108.803 -179.683 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 88.9 t -62.88 -39.89 86.73 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.082 -1.011 . . . . 0.0 108.645 179.598 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.23 -31.07 69.83 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.564 -0.71 . . . . 0.0 109.279 179.573 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.1 m -76.87 -30.08 56.09 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 121.36 -0.837 . . . . 0.0 109.325 -179.814 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 46.3 t -81.9 101.95 10.56 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.288 -0.883 . . . . 0.0 109.242 179.968 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -60.08 -29.79 68.8 Favored 'General case' 0 C--N 1.297 -1.683 0 O-C-N 121.465 -0.772 . . . . 0.0 109.879 179.644 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -70.56 -43.87 68.6 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.03 -1.044 . . . . 0.0 111.204 -179.215 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 90.8 m -82.59 -22.97 34.62 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 120.722 -1.236 . . . . 0.0 109.71 -179.889 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -77.3 -75.74 0.2 Allowed 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.241 -0.912 . . . . 0.0 108.835 -179.746 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 31.9 mt -81.97 96.77 7.81 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.965 -1.084 . . . . 0.0 109.015 179.539 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.4 mtpm? -90.46 -9.26 48.05 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.376 -0.828 . . . . 0.0 109.024 179.389 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -105.75 141.2 15.36 Favored Glycine 0 N--CA 1.501 3.002 0 N-CA-C 109.619 -1.393 . . . . 0.0 109.619 179.941 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.422 ' CD ' ' N ' ' A' ' 48' ' ' GLU . 41.1 mp0 -86.16 -68.56 0.73 Allowed 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.127 -1.219 . . . . 0.0 109.361 179.817 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.409 ' HB1' ' H ' ' B' ' 50' ' ' MET . . . -178.82 154.34 0.72 Allowed 'General case' 0 N--CA 1.492 1.646 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 -179.826 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.529 ' O ' ' N ' ' B' ' 50' ' ' MET . 63.4 mtt -151.13 -167.3 2.77 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.09 -1.006 . . . . 0.0 109.184 179.637 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -151.37 165.29 34.55 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.081 -1.012 . . . . 0.0 109.338 179.957 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -77.54 -142.68 1.72 Allowed Glycine 0 N--CA 1.488 2.122 0 N-CA-C 109.708 -1.357 . . . . 0.0 109.708 -179.746 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.503 ' C ' ' H ' ' A' ' 55' ' ' ASP . 48.6 tp60 -75.5 48.23 0.43 Allowed 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.256 -1.143 . . . . 0.0 109.29 -179.829 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.6 t 58.53 1.96 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.428 -0.795 . . . . 0.0 109.72 -179.95 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.503 ' H ' ' C ' ' A' ' 53' ' ' GLN . 39.4 t0 . . . . . 0 C--N 1.293 -1.856 0 CA-C-O 118.007 -0.997 . . . . 0.0 109.258 179.803 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 . . . . . 0 N--CA 1.493 1.698 0 CA-C-O 121.431 0.634 . . . . 0.0 109.771 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 27.1 mt -73.61 -20.87 60.48 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.536 -0.728 . . . . 0.0 111.943 -178.105 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -64.92 -59.0 4.67 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 120.349 -1.469 . . . . 0.0 111.01 -178.292 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.52 -40.51 96.18 Favored Glycine 0 N--CA 1.495 2.567 0 C-N-CA 119.688 -1.244 . . . . 0.0 110.236 -179.483 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.453 ' O ' ' N ' ' B' ' 9' ' ' GLN . 96.5 mt -60.33 -40.7 84.71 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.18 -1.188 . . . . 0.0 110.497 -179.241 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -56.3 -45.05 80.39 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 120.98 -1.075 . . . . 0.0 108.658 179.99 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -69.95 -42.9 72.6 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.025 -1.047 . . . . 0.0 108.864 178.805 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.3 -35.63 80.88 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.4 -0.812 . . . . 0.0 109.765 179.695 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . 0.453 ' N ' ' O ' ' B' ' 5' ' ' ILE . 57.7 tt0 -57.58 -40.5 79.15 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 119.588 -0.845 . . . . 0.0 109.072 -179.391 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -60.28 -40.38 90.2 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 119.054 -1.058 . . . . 0.0 108.71 179.265 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 20.9 tp10 -59.87 -40.41 88.56 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 119.423 -0.911 . . . . 0.0 108.566 179.582 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . 0.546 ' O ' ' N ' ' B' ' 16' ' ' HIS . 19.0 t60 -60.37 -45.16 94.51 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.152 -0.968 . . . . 0.0 109.877 179.453 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -60.83 -42.34 97.54 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.394 -0.816 . . . . 0.0 110.327 -179.376 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 57.1 mtpt -62.79 -30.09 71.2 Favored 'General case' 0 C--N 1.298 -1.672 0 N-CA-C 112.863 0.69 . . . . 0.0 112.863 -178.118 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -139.91 -6.06 1.29 Allowed 'General case' 0 N--CA 1.506 2.372 0 O-C-N 120.603 -1.311 . . . . 0.0 112.293 -177.05 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.546 ' N ' ' O ' ' B' ' 12' ' ' HIS . 82.7 m-70 53.17 39.93 30.44 Favored 'General case' 0 N--CA 1.493 1.708 0 N-CA-C 107.317 -1.364 . . . . 0.0 107.317 -177.34 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 97.0 p -65.23 158.41 26.26 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.424 -0.797 . . . . 0.0 110.712 -178.707 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -72.64 160.46 32.2 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.337 -0.852 . . . . 0.0 109.425 179.777 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 52.3 p-90 -58.69 -30.07 67.12 Favored 'General case' 0 C--N 1.303 -1.415 0 C-N-CA 119.55 -0.86 . . . . 0.0 109.952 -179.794 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 60.3 mtp180 -62.53 -40.01 95.39 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.016 -1.053 . . . . 0.0 109.756 179.917 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.27 -49.5 55.51 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.24 -0.912 . . . . 0.0 109.277 179.691 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 77.8 mtm -61.72 -39.79 92.78 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.313 -0.867 . . . . 0.0 109.667 179.615 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.93 -49.22 77.5 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 119.233 -0.987 . . . . 0.0 109.137 -179.914 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 15.6 m -70.81 -34.44 71.73 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.253 -0.905 . . . . 0.0 110.113 179.933 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 55.2 t0 -60.32 -46.06 91.23 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.175 -0.953 . . . . 0.0 110.499 -178.988 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -104.96 0.7 28.03 Favored 'General case' 0 N--CA 1.502 2.17 0 O-C-N 121.276 -0.89 . . . . 0.0 110.055 179.961 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 50.7 t30 59.5 49.92 8.05 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.341 -0.849 . . . . 0.0 109.848 179.513 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 53.9 mt -114.12 151.99 45.43 Favored Pre-proline 0 N--CA 1.502 2.166 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 179.711 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 27.2 Cg_endo -60.96 163.24 16.84 Favored 'Trans proline' 0 N--CA 1.49 1.301 0 C-N-CA 121.795 1.663 . . . . 0.0 110.858 179.295 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -56.37 -37.16 97.51 Favored 'Trans proline' 0 C--N 1.3 -2.009 0 C-N-CA 122.485 2.123 . . . . 0.0 112.489 -179.251 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.441 HG13 ' CG ' ' A' ' 35' ' ' GLU . 95.9 t -57.78 -45.45 87.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 120.913 -1.117 . . . . 0.0 110.369 -178.7 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 45.1 t -68.65 -47.58 76.02 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.71 0 C-N-CA 118.264 -1.374 . . . . 0.0 109.1 -179.242 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.95 -47.33 71.96 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.403 -0.811 . . . . 0.0 110.198 179.739 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -60.85 -34.85 75.22 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.801 -1.187 . . . . 0.0 110.32 179.847 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.1 tm-20 -61.13 -38.91 88.09 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 120.997 -1.064 . . . . 0.0 110.083 -179.978 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 84.8 mt -59.36 -40.36 81.32 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 120.985 -1.072 . . . . 0.0 109.205 -179.859 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 86.6 t -62.7 -39.72 85.8 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.478 0 C-N-CA 119.21 -0.996 . . . . 0.0 108.584 179.64 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . 0.524 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -60.37 -30.72 69.75 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.528 -0.732 . . . . 0.0 109.193 179.511 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 17.0 m -77.3 -29.79 53.84 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.401 -0.812 . . . . 0.0 109.169 -179.607 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 44.3 t -82.56 102.25 11.28 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.306 -0.871 . . . . 0.0 109.43 -179.939 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -60.83 -28.6 68.93 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.496 -0.753 . . . . 0.0 109.822 -179.857 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -71.79 -42.7 66.8 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.177 -0.952 . . . . 0.0 110.875 -178.837 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 87.1 m -83.09 -23.44 33.08 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 120.742 -1.224 . . . . 0.0 109.645 179.684 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . 0.524 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 6.8 tt0 -77.05 -75.05 0.22 Allowed 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.415 -0.803 . . . . 0.0 109.057 -179.686 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 32.8 mt -82.84 95.93 8.07 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.03 -1.044 . . . . 0.0 109.07 179.695 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 9.1 mtpm? -89.88 -8.71 51.28 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.413 -0.804 . . . . 0.0 109.23 179.787 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -106.85 140.06 15.12 Favored Glycine 0 N--CA 1.499 2.89 0 N-CA-C 109.839 -1.305 . . . . 0.0 109.839 179.729 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . 0.458 ' OE1' ' N ' ' B' ' 48' ' ' GLU . 41.4 mp0 -84.03 -69.54 0.63 Allowed 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.124 -1.221 . . . . 0.0 109.195 179.496 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -178.7 154.97 0.78 Allowed 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.318 -0.864 . . . . 0.0 109.072 179.806 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . 0.529 ' N ' ' O ' ' A' ' 50' ' ' MET . 63.0 mtt -150.88 -167.29 2.77 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 120.927 -1.108 . . . . 0.0 109.187 179.696 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -150.59 164.61 35.61 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.042 -1.036 . . . . 0.0 109.553 179.725 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -76.79 -142.46 1.39 Allowed Glycine 0 N--CA 1.489 2.184 0 N-CA-C 109.677 -1.369 . . . . 0.0 109.677 -179.465 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . 0.494 ' C ' ' H ' ' B' ' 55' ' ' ASP . 48.6 tp60 -75.79 48.05 0.45 Allowed 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.481 -1.011 . . . . 0.0 109.25 -179.995 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 2.7 t 58.41 2.64 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 CA-C-O 121.807 0.813 . . . . 0.0 109.689 -179.966 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.494 ' H ' ' C ' ' B' ' 53' ' ' GLN . 38.7 t0 . . . . . 0 C--N 1.294 -1.829 0 CA-C-O 117.853 -1.07 . . . . 0.0 109.156 179.79 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.573 ' O ' HD12 ' A' ' 5' ' ' ILE . 76.9 m-85 . . . . . 0 N--CA 1.493 1.707 0 CA-C-O 121.627 0.727 . . . . 0.0 109.679 . . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 15.2 mt -72.92 -27.22 61.74 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 121.341 -0.85 . . . . 0.0 111.081 -178.258 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.516 ' N ' ' OD1' ' A' ' 3' ' ' ASP . 18.3 p-10 -69.44 -61.79 1.64 Allowed 'General case' 0 N--CA 1.496 1.847 0 O-C-N 120.805 -1.185 . . . . 0.0 111.542 -178.302 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.421 ' H ' ' CG ' ' A' ' 3' ' ' ASP . . . -60.13 -40.77 97.63 Favored Glycine 0 N--CA 1.495 2.591 0 C-N-CA 119.886 -1.149 . . . . 0.0 110.446 -178.773 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.573 HD12 ' O ' ' A' ' 1' ' ' PHE . 96.4 mt -59.75 -39.36 79.55 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 O-C-N 121.199 -1.177 . . . . 0.0 109.729 -179.976 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 51.7 t0 -54.15 -47.16 72.25 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 120.76 -1.212 . . . . 0.0 108.463 -179.345 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 64.8 mttm -68.59 -43.62 76.09 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.199 -0.938 . . . . 0.0 109.761 178.972 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.94 -37.38 85.88 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.266 -0.896 . . . . 0.0 109.754 -179.892 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -57.8 -40.14 79.19 Favored 'General case' 0 C--N 1.305 -1.353 0 C-N-CA 119.365 -0.934 . . . . 0.0 109.263 -179.137 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -61.92 -42.22 98.84 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.176 -0.952 . . . . 0.0 109.011 178.521 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 25.3 tp10 -59.65 -40.86 89.1 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 179.44 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.555 ' O ' ' N ' ' A' ' 16' ' ' HIS . 13.0 t60 -60.44 -47.98 83.77 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.268 -0.895 . . . . 0.0 109.489 179.455 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -59.99 -40.41 89.06 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.979 -1.076 . . . . 0.0 110.08 -179.913 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.3 mtpp -62.06 -37.27 84.36 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.193 -0.942 . . . . 0.0 112.628 -178.98 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -135.2 -3.12 2.47 Favored 'General case' 0 N--CA 1.51 2.533 0 O-C-N 120.883 -1.136 . . . . 0.0 112.61 -177.069 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.555 ' N ' ' O ' ' A' ' 12' ' ' HIS . 89.6 m-70 53.78 40.68 31.79 Favored 'General case' 0 N--CA 1.495 1.824 0 N-CA-C 107.331 -1.359 . . . . 0.0 107.331 -177.649 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 78.3 p -62.51 158.0 18.98 Favored 'General case' 0 C--N 1.302 -1.478 0 CA-C-O 121.357 0.598 . . . . 0.0 110.509 -178.888 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 28.0 m120 -73.43 157.55 36.65 Favored 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 179.816 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 31.2 p-90 -57.6 -29.72 64.73 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.158 -0.964 . . . . 0.0 110.102 -179.33 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -62.91 -39.68 95.28 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.128 -0.983 . . . . 0.0 109.975 179.557 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.19 -49.7 54.21 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.356 -0.84 . . . . 0.0 109.6 -179.592 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 77.6 mtm -60.16 -39.49 86.61 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.224 -0.922 . . . . 0.0 109.379 179.062 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -58.38 -49.39 77.4 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.29 -0.881 . . . . 0.0 109.132 -179.923 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 21.6 t -70.33 -34.29 72.5 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.473 -0.767 . . . . 0.0 109.71 179.291 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 57.8 t0 -60.22 -42.41 95.1 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.223 -0.923 . . . . 0.0 110.466 -179.211 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -111.19 4.08 18.96 Favored 'General case' 0 N--CA 1.502 2.152 0 O-C-N 121.431 -0.793 . . . . 0.0 109.925 -179.867 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.433 ' N ' ' O ' ' A' ' 23' ' ' ALA . 13.2 m120 56.89 43.29 25.07 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.238 -0.913 . . . . 0.0 110.105 -179.95 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 86.8 mt -108.19 152.49 41.88 Favored Pre-proline 0 N--CA 1.5 2.025 0 O-C-N 121.319 -0.863 . . . . 0.0 109.105 -179.936 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_endo -62.48 150.35 87.77 Favored 'Trans proline' 0 N--CA 1.493 1.462 0 C-N-CA 121.858 1.706 . . . . 0.0 111.532 -179.813 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -44.32 -37.16 10.06 Favored 'Trans proline' 0 C--N 1.309 -1.52 0 C-N-CA 121.494 1.463 . . . . 0.0 111.647 -179.92 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 49.9 t -52.78 -51.39 36.68 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.638 0 C-N-CA 119.657 -0.817 . . . . 0.0 110.739 -178.279 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.413 HG13 HD11 ' A' ' 5' ' ' ILE . 61.6 t -64.86 -46.81 90.76 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.958 0 C-N-CA 118.324 -1.35 . . . . 0.0 109.942 -178.452 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.97 -45.85 76.44 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.142 -0.974 . . . . 0.0 110.293 179.981 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -60.8 -36.06 78.06 Favored 'General case' 0 C--N 1.302 -1.496 0 C-N-CA 119.273 -0.971 . . . . 0.0 110.205 -179.334 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -61.35 -38.57 87.42 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 120.991 -1.068 . . . . 0.0 109.835 -179.619 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 81.7 mt -60.92 -39.72 82.98 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.451 0 O-C-N 120.825 -1.172 . . . . 0.0 109.845 -179.893 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 85.9 t -62.35 -39.93 86.02 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.603 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 179.888 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.05 -30.25 69.07 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.475 -0.765 . . . . 0.0 109.379 179.841 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 63.9 m -77.17 -28.93 54.25 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.356 -0.84 . . . . 0.0 109.212 -179.762 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 42.7 t -81.76 104.08 11.9 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.53 -0.731 . . . . 0.0 109.403 179.769 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -62.0 -28.98 69.95 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.223 -0.923 . . . . 0.0 110.311 -179.842 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 81.2 mttt -70.09 -40.68 74.82 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.157 -0.964 . . . . 0.0 110.671 -177.987 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 66.2 m -83.26 -28.05 29.44 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.046 -1.034 . . . . 0.0 109.697 179.977 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.472 ' NE2' ' OE1' ' B' ' 44' ' ' GLN . 57.2 tt0 -75.98 -69.57 0.49 Allowed 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.197 -0.94 . . . . 0.0 109.086 179.986 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 58.0 mt -81.86 110.79 17.47 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 179.239 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 60.2 tttm -88.18 -9.69 52.27 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.099 -1.001 . . . . 0.0 109.265 -179.089 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 99.11 -3.45 58.37 Favored Glycine 0 N--CA 1.494 2.552 0 N-CA-C 109.294 -1.523 . . . . 0.0 109.294 179.817 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -61.65 -37.6 84.61 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.298 -1.119 . . . . 0.0 108.626 179.209 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.29 -16.07 63.81 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.74 -0.6 . . . . 0.0 110.33 -178.941 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.406 ' O ' ' O ' ' A' ' 51' ' ' HIS . 54.3 ttm -86.2 131.24 34.28 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.009 -1.057 . . . . 0.0 109.788 179.99 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.496 ' CE1' ' H ' ' A' ' 53' ' ' GLN . 58.6 t-80 56.89 164.63 0.03 OUTLIER 'General case' 0 C--N 1.298 -1.644 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 -179.508 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 166.12 53.26 0.03 OUTLIER Glycine 0 N--CA 1.484 1.861 0 N-CA-C 108.919 -1.672 . . . . 0.0 108.919 -179.027 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.496 ' H ' ' CE1' ' A' ' 51' ' ' HIS . 74.4 mt-30 59.46 31.11 20.82 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.791 -0.829 . . . . 0.0 109.673 -179.663 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.545 HG12 ' H ' ' A' ' 55' ' ' ASP . 1.6 t 50.51 -149.69 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 120.94 -1.1 . . . . 0.0 108.731 179.733 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.545 ' H ' HG12 ' A' ' 54' ' ' VAL . 81.7 m-20 . . . . . 0 N--CA 1.488 1.462 0 CA-C-O 117.935 -1.031 . . . . 0.0 109.16 179.777 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . 0.614 ' O ' HD12 ' B' ' 5' ' ' ILE . 77.0 m-85 . . . . . 0 N--CA 1.491 1.606 0 CA-C-O 121.558 0.694 . . . . 0.0 109.71 . . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 16.6 mt -73.04 -27.97 62.06 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.52 -0.737 . . . . 0.0 111.747 -178.106 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . 0.515 ' N ' ' OD1' ' B' ' 3' ' ' ASP . 17.2 p-10 -70.0 -61.26 1.85 Allowed 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.572 -1.33 . . . . 0.0 111.016 -178.395 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . 0.43 ' H ' ' CG ' ' B' ' 3' ' ' ASP . . . -58.5 -43.08 96.15 Favored Glycine 0 N--CA 1.493 2.474 0 N-CA-C 110.104 -1.198 . . . . 0.0 110.104 -178.992 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.614 HD12 ' O ' ' B' ' 1' ' ' PHE . 97.8 mt -58.81 -38.87 75.17 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.562 0 O-C-N 121.441 -1.035 . . . . 0.0 110.386 -179.935 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 49.1 t0 -54.42 -47.16 73.13 Favored 'General case' 0 C--N 1.304 -1.411 0 C-N-CA 118.412 -1.315 . . . . 0.0 108.54 -179.461 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -68.11 -44.1 76.93 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 119.414 -0.914 . . . . 0.0 109.602 179.258 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.11 -36.48 83.26 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.353 -0.842 . . . . 0.0 109.797 -179.835 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -58.82 -40.34 83.84 Favored 'General case' 0 C--N 1.305 -1.328 0 O-C-N 121.235 -0.916 . . . . 0.0 109.033 -179.382 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -61.25 -41.76 97.46 Favored 'General case' 0 C--N 1.302 -1.457 0 C-N-CA 118.984 -1.086 . . . . 0.0 108.812 178.665 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 25.0 tp10 -60.4 -40.07 89.64 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.244 -0.91 . . . . 0.0 109.193 179.705 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . 0.544 ' O ' ' N ' ' B' ' 16' ' ' HIS . 13.0 t60 -61.03 -47.29 87.09 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 119.29 -0.964 . . . . 0.0 109.066 179.472 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -59.8 -40.84 89.69 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.1 -1.0 . . . . 0.0 109.971 -179.86 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp -62.33 -36.41 82.1 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.316 -0.865 . . . . 0.0 112.532 -178.609 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -135.78 -2.67 2.36 Favored 'General case' 0 N--CA 1.509 2.499 0 O-C-N 120.678 -1.264 . . . . 0.0 112.732 -177.547 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.544 ' N ' ' O ' ' B' ' 12' ' ' HIS . 90.1 m-70 53.98 40.7 31.87 Favored 'General case' 0 N--CA 1.497 1.905 0 N-CA-C 107.209 -1.404 . . . . 0.0 107.209 -177.048 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 83.1 p -63.57 158.78 20.26 Favored 'General case' 0 C--N 1.303 -1.417 0 CA-C-O 121.504 0.669 . . . . 0.0 110.69 -178.303 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 27.2 m120 -73.61 157.39 36.73 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.748 -0.595 . . . . 0.0 109.65 -179.819 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 27.9 p-90 -57.72 -30.22 65.35 Favored 'General case' 0 C--N 1.301 -1.508 0 C-N-CA 119.485 -0.886 . . . . 0.0 109.814 -179.601 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -62.85 -39.57 94.78 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.236 -0.915 . . . . 0.0 109.677 179.439 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.68 -50.36 51.64 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.106 -0.996 . . . . 0.0 109.762 -179.908 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 77.3 mtm -60.05 -38.93 84.26 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.151 -0.968 . . . . 0.0 109.559 178.948 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.405 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -59.64 -49.16 78.82 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.304 -0.872 . . . . 0.0 108.844 -179.57 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 12.7 t -70.47 -33.39 71.21 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.728 -0.607 . . . . 0.0 109.834 179.613 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 59.9 t0 -60.66 -44.05 96.9 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.414 -0.804 . . . . 0.0 110.371 -179.116 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -109.62 3.85 21.49 Favored 'General case' 0 N--CA 1.504 2.227 0 O-C-N 121.615 -0.678 . . . . 0.0 110.184 -179.462 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.405 ' N ' ' O ' ' B' ' 23' ' ' ALA . 13.7 m120 56.17 45.45 23.29 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.405 -0.809 . . . . 0.0 109.682 -179.658 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 91.2 mt -110.24 150.88 42.15 Favored Pre-proline 0 N--CA 1.498 1.966 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 179.545 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -60.54 152.28 69.37 Favored 'Trans proline' 0 N--CA 1.489 1.222 0 C-N-CA 121.728 1.619 . . . . 0.0 111.247 -179.844 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_exo -45.44 -37.97 15.27 Favored 'Trans proline' 0 C--N 1.313 -1.327 0 C-N-CA 121.821 1.681 . . . . 0.0 111.851 179.413 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 60.0 t -52.24 -49.52 40.74 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.813 0 O-C-N 121.446 -0.784 . . . . 0.0 110.657 -178.043 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . 0.48 HG13 HD11 ' B' ' 5' ' ' ILE . 58.6 t -67.32 -47.36 81.43 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.922 0 C-N-CA 118.221 -1.392 . . . . 0.0 109.486 -178.34 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.82 -45.46 82.21 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.397 -0.814 . . . . 0.0 110.046 179.826 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 52.1 mtpt -61.06 -36.65 80.18 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.026 -1.046 . . . . 0.0 109.991 -179.528 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.8 tm-20 -60.69 -39.11 87.28 Favored 'General case' 0 C--N 1.303 -1.433 0 C-N-CA 118.994 -1.082 . . . . 0.0 110.032 -179.705 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 81.1 mt -60.68 -39.7 82.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 120.608 -1.308 . . . . 0.0 109.592 179.863 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 83.0 t -62.65 -39.54 85.07 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.55 0 O-C-N 121.261 -0.899 . . . . 0.0 108.676 -179.969 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . 0.44 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -60.29 -30.1 69.25 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.383 -0.823 . . . . 0.0 109.424 179.396 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 71.1 m -77.88 -28.27 49.91 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.565 -0.709 . . . . 0.0 109.589 -179.598 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 43.2 t -82.4 103.22 11.8 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.322 -0.861 . . . . 0.0 109.278 179.664 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -60.98 -28.29 68.91 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.318 -0.863 . . . . 0.0 110.054 -179.899 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 82.8 mttt -71.38 -40.34 70.63 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.167 -0.958 . . . . 0.0 110.678 -178.008 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 63.8 m -83.33 -29.03 28.62 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 120.797 -1.189 . . . . 0.0 109.275 -179.786 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . 0.472 ' OE1' ' NE2' ' A' ' 44' ' ' GLN . 6.9 tt0 -75.0 -70.31 0.42 Allowed 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.179 -0.95 . . . . 0.0 109.51 179.821 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 53.6 mt -81.32 109.47 15.86 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 179.43 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 59.5 tttm -87.59 -8.15 56.63 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.156 -0.965 . . . . 0.0 109.887 -179.2 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.46 -5.53 60.62 Favored Glycine 0 N--CA 1.497 2.736 0 N-CA-C 109.431 -1.468 . . . . 0.0 109.431 179.956 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -60.98 -33.9 73.95 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.066 -1.255 . . . . 0.0 108.88 179.555 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.15 -16.1 61.98 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.59 -0.694 . . . . 0.0 110.089 -179.347 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . 0.452 ' O ' ' O ' ' B' ' 51' ' ' HIS . 56.7 ttm -85.19 132.73 34.24 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.109 -0.995 . . . . 0.0 109.728 -179.87 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 51' ' ' HIS . . . . . 0.46 ' CE1' ' H ' ' B' ' 53' ' ' GLN . 58.3 t-80 55.64 163.83 0.02 OUTLIER 'General case' 0 C--N 1.303 -1.425 0 CA-C-O 121.526 0.679 . . . . 0.0 109.604 -179.422 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 166.56 54.94 0.03 OUTLIER Glycine 0 N--CA 1.489 2.2 0 N-CA-C 109.078 -1.609 . . . . 0.0 109.078 -179.549 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . 0.46 ' H ' ' CE1' ' B' ' 51' ' ' HIS . 73.2 mt-30 57.82 31.25 20.24 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.682 -0.893 . . . . 0.0 109.824 -179.792 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.482 HG12 ' H ' ' B' ' 55' ' ' ASP . 1.5 t 49.45 -149.21 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.23 -0.919 . . . . 0.0 108.691 179.704 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.482 ' H ' HG12 ' B' ' 54' ' ' VAL . 82.2 m-20 . . . . . 0 C--N 1.301 -1.51 0 CA-C-O 117.839 -1.076 . . . . 0.0 109.264 179.608 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.415 ' O ' HD12 ' A' ' 5' ' ' ILE . 43.6 m-85 . . . . . 0 N--CA 1.494 1.745 0 CA-C-O 121.562 0.696 . . . . 0.0 109.926 . . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 41.7 mt -69.37 -30.24 68.2 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.366 -0.834 . . . . 0.0 111.221 -178.459 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 57.1 t0 -61.67 -51.14 69.67 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.723 -1.236 . . . . 0.0 110.729 -179.257 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.97 -44.47 45.98 Favored Glycine 0 N--CA 1.492 2.426 0 N-CA-C 109.78 -1.328 . . . . 0.0 109.78 -179.562 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.476 ' O ' ' N ' ' A' ' 9' ' ' GLN . 84.7 mt -58.07 -39.68 73.66 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.497 0 O-C-N 121.516 -0.99 . . . . 0.0 109.557 -179.801 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -56.42 -46.54 80.17 Favored 'General case' 0 C--N 1.302 -1.466 0 C-N-CA 119.161 -1.016 . . . . 0.0 108.891 -179.685 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 63.4 mttm -69.19 -40.3 78.14 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 120.979 -1.075 . . . . 0.0 108.622 178.479 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.46 -37.18 84.58 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.309 -0.87 . . . . 0.0 109.571 179.47 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.476 ' N ' ' O ' ' A' ' 5' ' ' ILE . 56.6 tt0 -57.3 -40.09 77.12 Favored 'General case' 0 N--CA 1.486 1.37 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 -178.844 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 19.5 tp10 -60.62 -43.79 97.08 Favored 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 178.682 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.7 tm-20 -60.56 -41.49 94.69 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.361 -0.837 . . . . 0.0 108.849 178.875 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.529 ' O ' ' N ' ' A' ' 16' ' ' HIS . 13.8 t60 -61.54 -47.0 87.54 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.215 -0.928 . . . . 0.0 109.954 179.482 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.8 tp10 -60.83 -42.67 98.22 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.222 -0.924 . . . . 0.0 110.363 -179.196 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -62.63 -30.74 71.59 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.509 -0.744 . . . . 0.0 112.913 -178.207 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -140.81 -3.78 1.25 Allowed 'General case' 0 N--CA 1.509 2.487 0 O-C-N 120.755 -1.216 . . . . 0.0 112.453 -176.946 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.529 ' N ' ' O ' ' A' ' 12' ' ' HIS . 89.2 m-70 53.83 46.8 25.0 Favored 'General case' 0 N--CA 1.497 1.916 0 N-CA-C 107.359 -1.349 . . . . 0.0 107.359 -177.464 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 88.6 p -67.36 156.03 37.48 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.286 -0.884 . . . . 0.0 110.607 -178.197 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -71.72 154.29 41.45 Favored 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 179.872 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 47.2 p-90 -55.03 -31.41 61.07 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.182 -0.949 . . . . 0.0 110.384 -179.065 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 75.4 mtm180 -62.58 -40.1 95.8 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 120.9 -1.125 . . . . 0.0 109.802 -179.965 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.36 -47.7 63.52 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.329 -0.857 . . . . 0.0 109.476 -179.251 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 77.8 mtm -60.93 -39.67 90.3 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.17 -0.956 . . . . 0.0 109.469 179.545 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.491 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -57.67 -47.74 81.44 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.431 -0.793 . . . . 0.0 109.5 -179.631 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 33.2 t -70.26 -36.86 74.71 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.176 -0.953 . . . . 0.0 110.455 179.955 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -60.32 -39.83 88.42 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.211 -0.931 . . . . 0.0 110.532 -179.01 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -111.3 -1.74 15.93 Favored 'General case' 0 N--CA 1.505 2.288 0 O-C-N 121.362 -0.836 . . . . 0.0 109.817 -179.581 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.491 ' N ' ' O ' ' A' ' 23' ' ' ALA . 59.1 t30 58.54 49.92 9.88 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.136 -0.978 . . . . 0.0 110.594 179.884 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 81.4 mt -115.1 151.81 46.04 Favored Pre-proline 0 N--CA 1.507 2.386 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 179.374 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_endo -60.75 153.27 63.62 Favored 'Trans proline' 0 N--CA 1.496 1.639 0 C-N-CA 121.603 1.535 . . . . 0.0 111.38 -179.82 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_exo -45.3 -35.12 11.02 Favored 'Trans proline' 0 C--N 1.311 -1.447 0 C-N-CA 122.037 1.824 . . . . 0.0 112.042 179.579 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 70.4 t -54.13 -50.01 57.96 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.742 0 O-C-N 121.43 -0.794 . . . . 0.0 110.24 -178.225 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 62.2 t -67.01 -48.87 78.15 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.791 0 C-N-CA 118.594 -1.242 . . . . 0.0 109.092 -179.291 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.99 -45.21 86.57 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.295 -0.878 . . . . 0.0 110.646 -179.794 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 50.6 mtpt -61.77 -37.43 84.29 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.04 -1.038 . . . . 0.0 110.253 -179.911 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -61.44 -37.96 85.43 Favored 'General case' 0 N--CA 1.484 1.239 0 O-C-N 120.83 -1.169 . . . . 0.0 110.147 -178.647 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 43.6 mt -59.68 -39.67 80.24 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.387 0 C-N-CA 118.472 -1.291 . . . . 0.0 107.588 179.606 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 69.4 t -62.42 -39.49 84.5 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.403 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 178.678 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.75 -35.75 75.22 Favored 'General case' 0 C--N 1.305 -1.327 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 179.545 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 23.1 m -74.36 -33.63 63.15 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 121.435 -0.791 . . . . 0.0 109.661 -179.999 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 35.6 t -80.97 101.88 9.79 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.343 -0.848 . . . . 0.0 109.655 -179.441 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 -60.84 -28.57 68.92 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.451 -0.781 . . . . 0.0 110.526 -179.669 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 89.4 mttt -69.86 -40.42 75.78 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.545 -1.347 . . . . 0.0 110.205 -179.146 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 69.4 m -84.34 -23.17 30.32 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.093 -1.005 . . . . 0.0 109.377 179.76 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.5 ' NE2' ' OE1' ' B' ' 44' ' ' GLN . 56.4 tt0 -78.23 -73.89 0.3 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.065 -1.022 . . . . 0.0 108.688 -179.87 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 40.1 mt -83.24 113.53 20.74 Favored 'General case' 0 N--CA 1.493 1.705 0 N-CA-C 107.649 -1.241 . . . . 0.0 107.649 178.831 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 20.4 ttpt -88.07 -0.05 56.57 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.927 -1.108 . . . . 0.0 109.465 -179.06 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 95.59 25.19 14.0 Favored Glycine 0 N--CA 1.496 2.672 0 N-CA-C 109.325 -1.51 . . . . 0.0 109.325 -179.926 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -74.2 2.29 9.4 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.417 -1.049 . . . . 0.0 109.014 179.746 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -71.8 131.21 42.76 Favored 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 179.854 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.468 ' O ' ' O ' ' B' ' 50' ' ' MET . 2.5 mpt? -69.37 149.36 48.48 Favored 'General case' 0 C--N 1.298 -1.645 0 O-C-N 121.374 -0.829 . . . . 0.0 109.483 -179.867 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 70.9 t60 -166.0 150.8 8.3 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 120.986 -1.071 . . . . 0.0 108.878 179.392 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 142.87 148.92 5.03 Favored Glycine 0 N--CA 1.5 2.966 0 N-CA-C 110.32 -1.112 . . . . 0.0 110.32 179.459 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.424 ' O ' ' O ' ' A' ' 54' ' ' VAL . 90.7 mm-40 -103.39 11.22 36.83 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.673 -0.898 . . . . 0.0 108.769 179.399 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.424 ' O ' ' O ' ' A' ' 53' ' ' GLN . 3.3 t 59.27 154.14 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.853 0 O-C-N 121.466 -0.771 . . . . 0.0 109.065 -179.724 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 . . . . . 0 N--CA 1.49 1.544 0 O-C-N 120.869 -1.144 . . . . 0.0 109.473 -179.438 . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . 0.421 ' O ' HD12 ' B' ' 5' ' ' ILE . 42.4 m-85 . . . . . 0 N--CA 1.491 1.608 0 CA-C-O 121.482 0.658 . . . . 0.0 109.869 . . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 47.0 mt -69.23 -31.54 70.18 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.061 -1.024 . . . . 0.0 111.048 -178.264 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -60.94 -51.13 70.59 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 120.856 -1.153 . . . . 0.0 110.95 -178.699 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.36 -43.38 46.16 Favored Glycine 0 N--CA 1.492 2.414 0 N-CA-C 109.553 -1.419 . . . . 0.0 109.553 -179.372 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.44 ' O ' ' N ' ' B' ' 9' ' ' GLN . 86.2 mt -59.02 -39.67 78.89 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.705 0 O-C-N 121.396 -1.061 . . . . 0.0 109.802 179.987 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -56.81 -45.75 82.05 Favored 'General case' 0 C--N 1.302 -1.458 0 C-N-CA 119.263 -0.975 . . . . 0.0 108.573 -179.583 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 64.6 mttm -69.71 -40.35 76.33 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 120.899 -1.126 . . . . 0.0 108.792 178.362 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.46 -36.96 84.07 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.276 -0.89 . . . . 0.0 109.537 179.444 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . 0.44 ' N ' ' O ' ' B' ' 5' ' ' ILE . 54.5 tt0 -57.32 -40.4 77.83 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.229 -0.919 . . . . 0.0 108.691 -179.178 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 19.4 tp10 -60.35 -43.29 96.62 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 178.875 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 13.1 tm-20 -60.75 -42.01 96.57 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.182 -0.949 . . . . 0.0 108.953 179.006 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . 0.522 ' O ' ' N ' ' B' ' 16' ' ' HIS . 13.5 t60 -61.57 -46.64 89.0 Favored 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 119.689 -0.805 . . . . 0.0 110.085 179.814 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 42.4 tp10 -60.47 -42.07 95.48 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.044 -1.035 . . . . 0.0 110.404 -179.492 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 25.7 mtpp -63.65 -30.68 71.76 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.572 -0.705 . . . . 0.0 112.854 -178.379 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -140.84 -3.73 1.25 Allowed 'General case' 0 N--CA 1.507 2.386 0 O-C-N 120.496 -1.378 . . . . 0.0 112.78 -177.08 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.522 ' N ' ' O ' ' B' ' 12' ' ' HIS . 91.0 m-70 53.34 47.15 24.86 Favored 'General case' 0 N--CA 1.498 1.933 0 N-CA-C 107.29 -1.374 . . . . 0.0 107.29 -177.533 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 84.4 p -67.34 155.64 38.42 Favored 'General case' 0 C--N 1.3 -1.55 0 C-N-CA 119.771 -0.772 . . . . 0.0 110.201 -178.37 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -71.94 155.65 40.13 Favored 'General case' 0 N--CA 1.489 1.475 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 179.95 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 44.6 p-90 -55.41 -31.34 61.78 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.177 -0.952 . . . . 0.0 110.48 -179.078 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 76.3 mtm180 -62.61 -40.2 96.19 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 120.888 -1.132 . . . . 0.0 109.991 -179.97 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.94 -47.99 64.34 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.19 -0.944 . . . . 0.0 109.853 -179.175 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 78.9 mtm -60.51 -39.7 88.74 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.231 -0.918 . . . . 0.0 109.289 179.671 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.483 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -57.41 -47.43 81.75 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 119.654 -0.818 . . . . 0.0 109.528 -179.602 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 34.0 t -70.18 -38.39 75.38 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.263 -0.898 . . . . 0.0 110.754 -179.847 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -59.95 -39.82 86.86 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.246 -0.909 . . . . 0.0 110.588 -178.76 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -110.48 -2.38 16.56 Favored 'General case' 0 N--CA 1.501 2.075 0 O-C-N 121.457 -0.777 . . . . 0.0 109.992 -179.686 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.483 ' N ' ' O ' ' B' ' 23' ' ' ALA . 53.8 t30 58.85 50.0 9.14 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.294 -0.879 . . . . 0.0 110.548 179.603 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 83.9 mt -115.51 151.25 45.87 Favored Pre-proline 0 N--CA 1.504 2.239 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 179.142 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -60.14 154.47 51.47 Favored 'Trans proline' 0 N--CA 1.492 1.427 0 C-N-CA 121.461 1.44 . . . . 0.0 111.116 -179.854 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -46.04 -36.23 15.8 Favored 'Trans proline' 0 N--CA 1.491 1.339 0 C-N-CA 121.998 1.798 . . . . 0.0 112.107 179.608 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 76.4 t -52.74 -49.75 45.1 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.67 0 O-C-N 121.412 -0.805 . . . . 0.0 110.544 -178.414 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 61.6 t -67.85 -48.01 77.13 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.759 0 C-N-CA 118.705 -1.198 . . . . 0.0 109.387 -179.082 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.67 -45.41 83.0 Favored 'General case' 0 C--N 1.301 -1.536 0 C-N-CA 119.692 -0.803 . . . . 0.0 110.124 -179.767 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 51.6 mtpt -60.67 -38.55 85.28 Favored 'General case' 0 N--CA 1.486 1.369 0 O-C-N 120.987 -1.071 . . . . 0.0 110.237 179.822 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 14.6 tm-20 -60.8 -38.14 84.36 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.019 -1.05 . . . . 0.0 110.132 -178.45 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 47.8 mt -59.76 -39.9 81.05 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.406 0 O-C-N 120.655 -1.278 . . . . 0.0 107.624 179.828 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 72.8 t -62.42 -39.61 84.96 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 178.631 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . 0.478 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -59.41 -35.45 74.0 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 179.366 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 21.5 m -75.69 -32.05 59.95 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.224 -0.923 . . . . 0.0 109.997 -179.881 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 38.8 t -81.62 101.12 9.81 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.309 -0.869 . . . . 0.0 109.635 -179.421 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -60.4 -29.3 68.87 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.275 -0.891 . . . . 0.0 110.515 -179.476 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 88.8 mttt -68.81 -40.83 79.33 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.588 -1.32 . . . . 0.0 110.062 -178.897 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 87.7 m -84.12 -24.54 30.23 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 120.781 -1.199 . . . . 0.0 109.766 179.607 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . 0.5 ' OE1' ' NE2' ' A' ' 44' ' ' GLN . 7.0 tt0 -76.78 -72.15 0.36 Allowed 'General case' 0 N--CA 1.488 1.455 0 O-C-N 120.863 -1.148 . . . . 0.0 108.89 -179.885 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 39.6 mt -84.12 113.43 21.05 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 107.612 -1.255 . . . . 0.0 107.612 178.717 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 19.9 ttpt -87.83 -0.37 56.86 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.91 -1.119 . . . . 0.0 109.525 -178.896 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 97.47 21.53 19.28 Favored Glycine 0 N--CA 1.495 2.582 0 N-CA-C 109.38 -1.488 . . . . 0.0 109.38 -179.807 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 22.0 pt-20 -70.66 3.23 3.29 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.516 -0.991 . . . . 0.0 109.359 -179.949 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.86 130.32 40.15 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.304 -0.872 . . . . 0.0 109.524 179.816 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . 0.468 ' O ' ' O ' ' A' ' 50' ' ' MET . 2.6 mpt? -68.8 149.91 48.44 Favored 'General case' 0 N--CA 1.486 1.341 0 O-C-N 121.475 -0.766 . . . . 0.0 109.217 -179.955 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 72.8 t60 -166.79 150.58 6.98 Favored 'General case' 0 C--N 1.298 -1.661 0 O-C-N 121.144 -0.973 . . . . 0.0 108.924 179.427 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 141.93 145.54 4.53 Favored Glycine 0 N--CA 1.499 2.842 0 C-N-CA 119.845 -1.169 . . . . 0.0 110.188 179.533 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . 0.429 ' O ' ' O ' ' B' ' 54' ' ' VAL . 89.3 mm-40 -100.59 11.56 39.23 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.446 -1.032 . . . . 0.0 108.837 179.738 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.429 ' O ' ' O ' ' B' ' 53' ' ' GLN . 3.0 t 59.07 154.39 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.301 -1.51 0 CA-C-O 121.552 0.692 . . . . 0.0 109.247 -179.589 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 84.0 m-20 . . . . . 0 C--N 1.302 -1.499 0 O-C-N 120.892 -1.13 . . . . 0.0 109.598 -179.516 . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.515 ' O ' HD12 ' A' ' 5' ' ' ILE . 43.3 m-85 . . . . . 0 N--CA 1.49 1.562 0 CA-C-O 121.535 0.683 . . . . 0.0 109.587 . . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 20.0 mt -67.95 -32.2 72.48 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.691 -0.63 . . . . 0.0 111.553 -178.045 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 58.9 t0 -65.16 -55.39 18.9 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.828 -1.17 . . . . 0.0 110.975 -178.609 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.39 -42.51 97.64 Favored Glycine 0 N--CA 1.488 2.145 0 N-CA-C 109.531 -1.427 . . . . 0.0 109.531 -179.623 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.515 HD12 ' O ' ' A' ' 1' ' ' PHE . 81.2 mt -59.86 -40.0 81.52 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.536 0 O-C-N 121.499 -1.0 . . . . 0.0 110.201 -179.882 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -54.8 -46.79 74.54 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 120.618 -1.301 . . . . 0.0 108.941 -179.375 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 50.8 mttp -69.58 -40.73 76.55 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.06 -1.025 . . . . 0.0 108.869 179.225 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.98 -35.4 78.28 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.313 -0.867 . . . . 0.0 109.453 -179.872 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.441 ' N ' ' O ' ' A' ' 5' ' ' ILE . 59.6 tt0 -58.16 -41.22 83.33 Favored 'General case' 0 C--N 1.305 -1.353 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 -179.677 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -61.9 -40.82 96.77 Favored 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 119.659 -0.816 . . . . 0.0 109.192 179.269 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.464 ' CD ' ' HG ' ' A' ' 17' ' ' SER . 12.1 tm-20 -60.43 -40.37 90.84 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.094 -1.004 . . . . 0.0 108.635 179.284 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.536 ' O ' ' N ' ' A' ' 16' ' ' HIS . 14.9 t60 -62.68 -46.09 89.76 Favored 'General case' 0 C--N 1.305 -1.327 0 O-C-N 121.238 -0.913 . . . . 0.0 110.322 179.903 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -60.38 -44.42 95.67 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.082 -1.011 . . . . 0.0 110.369 -179.083 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.0 mtpp -61.93 -31.08 71.37 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.274 -0.891 . . . . 0.0 113.111 -178.452 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 33.7 m-85 -139.11 -5.27 1.47 Allowed 'General case' 0 N--CA 1.506 2.345 0 O-C-N 120.647 -1.283 . . . . 0.0 112.687 -176.502 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.536 ' N ' ' O ' ' A' ' 12' ' ' HIS . 91.0 m-70 54.25 41.91 31.76 Favored 'General case' 0 N--CA 1.495 1.799 0 N-CA-C 107.317 -1.364 . . . . 0.0 107.317 -177.676 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.464 ' HG ' ' CD ' ' A' ' 11' ' ' GLU . 80.2 p -64.44 153.51 38.53 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.6 -0.688 . . . . 0.0 110.104 -178.509 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -71.32 157.84 37.39 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.462 -0.773 . . . . 0.0 109.186 179.602 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 48.6 p-90 -56.67 -32.16 65.14 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.407 -0.808 . . . . 0.0 110.606 -179.265 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -60.97 -40.16 92.32 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 120.955 -1.091 . . . . 0.0 109.179 -179.944 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.59 -48.76 63.35 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.595 -0.691 . . . . 0.0 109.159 -179.917 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 78.6 mtm -61.59 -40.74 95.88 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.165 -0.959 . . . . 0.0 109.005 179.411 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.497 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -57.86 -47.31 83.09 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.229 -0.919 . . . . 0.0 109.069 179.661 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 43.7 m -70.32 -34.71 73.03 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.273 -0.892 . . . . 0.0 110.199 179.984 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -61.55 -42.15 98.41 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.008 -1.057 . . . . 0.0 110.038 -179.038 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -109.54 1.32 19.66 Favored 'General case' 0 N--CA 1.501 2.08 0 O-C-N 121.5 -0.75 . . . . 0.0 110.229 -179.416 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.497 ' N ' ' O ' ' A' ' 23' ' ' ALA . 64.1 m-20 54.72 51.1 14.41 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.422 -0.799 . . . . 0.0 109.684 179.804 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 85.3 mt -115.37 153.01 47.53 Favored Pre-proline 0 N--CA 1.503 2.178 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 179.833 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_endo -61.57 144.04 97.42 Favored 'Trans proline' 0 N--CA 1.496 1.634 0 C-N-CA 121.97 1.78 . . . . 0.0 111.715 -179.896 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -39.69 -34.74 0.83 Allowed 'Trans proline' 0 N--CA 1.487 1.137 0 C-N-CA 122.281 1.987 . . . . 0.0 112.23 -179.417 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 89.0 t -54.87 -49.68 67.94 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.804 0 O-C-N 121.345 -0.847 . . . . 0.0 110.257 -178.599 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 61.7 t -66.83 -48.38 79.98 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.009 0 C-N-CA 118.421 -1.311 . . . . 0.0 109.539 -178.939 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.4 -44.67 82.38 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.391 -0.818 . . . . 0.0 109.665 -179.673 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.17 -38.0 81.89 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.931 -1.106 . . . . 0.0 109.797 -179.942 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.4 tm-20 -60.07 -39.74 87.1 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.195 -0.94 . . . . 0.0 110.452 -178.911 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 53.1 mt -59.72 -39.58 80.09 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 120.882 -1.136 . . . . 0.0 108.657 179.993 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 62.8 t -62.43 -39.41 84.23 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.706 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 179.078 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.88 -32.14 71.59 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.522 -0.736 . . . . 0.0 109.994 179.448 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.0 m -78.49 -26.4 45.99 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.935 -1.103 . . . . 0.0 109.747 -179.705 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 41.2 t -81.26 103.29 10.94 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.137 -0.977 . . . . 0.0 109.067 -179.912 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -60.36 -31.2 70.1 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.315 -0.866 . . . . 0.0 110.016 -179.745 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -69.56 -40.17 76.95 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.028 -1.045 . . . . 0.0 111.233 -178.587 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 67.9 m -84.6 -26.38 27.95 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 120.771 -1.206 . . . . 0.0 109.493 179.97 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -73.95 -71.86 0.3 Allowed 'General case' 0 N--CA 1.486 1.341 0 N-CA-C 107.553 -1.277 . . . . 0.0 107.553 179.387 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 51.1 mt -83.86 107.23 16.13 Favored 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 107.051 -1.463 . . . . 0.0 107.051 178.046 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -87.81 2.52 51.14 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.032 -1.042 . . . . 0.0 109.262 -179.345 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.56 -4.92 69.91 Favored Glycine 0 N--CA 1.492 2.4 0 N-CA-C 109.732 -1.347 . . . . 0.0 109.732 179.717 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 -72.0 -12.03 61.04 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.118 -1.225 . . . . 0.0 108.81 179.628 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.427 ' O ' ' O ' ' B' ' 49' ' ' ALA . . . -89.56 -12.84 38.7 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.226 -0.921 . . . . 0.0 109.456 178.991 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 86.4 mmm -85.19 143.16 28.95 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.148 -0.97 . . . . 0.0 109.375 -179.923 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.413 ' O ' ' ND1' ' A' ' 51' ' ' HIS . 55.6 t-80 57.4 46.0 18.95 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.389 -0.819 . . . . 0.0 109.684 -179.88 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -69.05 131.24 25.21 Favored Glycine 0 N--CA 1.489 2.222 0 N-CA-C 108.7 -1.76 . . . . 0.0 108.7 179.6 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.423 ' O ' ' O ' ' A' ' 54' ' ' VAL . 87.8 mt-30 49.41 -153.18 0.13 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.092 -1.24 . . . . 0.0 108.942 -179.87 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.423 ' O ' ' O ' ' A' ' 53' ' ' GLN . 4.3 t 56.78 164.7 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.314 -0.866 . . . . 0.0 109.473 179.447 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 58.1 t0 . . . . . 0 N--CA 1.493 1.684 0 CA-C-O 117.875 -1.06 . . . . 0.0 109.72 -179.884 . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . 0.49 ' O ' HD12 ' B' ' 5' ' ' ILE . 41.8 m-85 . . . . . 0 N--CA 1.494 1.727 0 CA-C-O 121.444 0.64 . . . . 0.0 110.044 . . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 19.7 mt -67.98 -33.15 74.1 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.688 -0.632 . . . . 0.0 111.487 -178.003 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 58.4 t0 -64.16 -55.05 24.55 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.776 -1.202 . . . . 0.0 111.237 -178.865 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.56 -43.03 97.13 Favored Glycine 0 N--CA 1.492 2.387 0 N-CA-C 109.429 -1.469 . . . . 0.0 109.429 -179.685 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.49 HD12 ' O ' ' B' ' 1' ' ' PHE . 83.5 mt -59.52 -38.78 77.07 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.701 -0.882 . . . . 0.0 110.726 -179.959 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -56.19 -47.21 78.77 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 120.875 -1.141 . . . . 0.0 108.682 -179.286 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 50.2 mttp -69.06 -40.13 78.69 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.27 -0.894 . . . . 0.0 109.105 179.459 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.34 -35.38 77.68 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.612 -0.68 . . . . 0.0 109.32 179.733 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -58.47 -41.66 85.72 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.227 -0.92 . . . . 0.0 108.632 -179.786 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -60.98 -41.22 96.02 Favored 'General case' 0 N--CA 1.49 1.559 0 C-N-CA 119.405 -0.918 . . . . 0.0 109.292 179.021 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 11.9 tm-20 -60.19 -40.02 88.56 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.063 -1.023 . . . . 0.0 108.582 179.708 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . 0.517 ' O ' ' N ' ' B' ' 16' ' ' HIS . 15.3 t60 -63.26 -45.63 90.59 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.333 -0.854 . . . . 0.0 110.267 -179.989 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -61.1 -44.72 96.92 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 120.929 -1.107 . . . . 0.0 110.389 -178.995 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 23.5 mtpp -61.32 -32.51 72.37 Favored 'General case' 0 N--CA 1.491 1.588 0 N-CA-C 112.937 0.717 . . . . 0.0 112.937 -178.744 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -137.72 -5.05 1.76 Allowed 'General case' 0 N--CA 1.505 2.319 0 O-C-N 120.592 -1.318 . . . . 0.0 112.826 -176.833 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.517 ' N ' ' O ' ' B' ' 12' ' ' HIS . 91.8 m-70 53.84 43.28 31.17 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.494 -1.379 . . . . 0.0 107.307 -177.613 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 79.7 p -65.77 154.37 39.25 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.689 -0.632 . . . . 0.0 110.306 -178.846 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 83.8 m-20 -71.74 157.98 36.95 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.3 -0.875 . . . . 0.0 109.035 179.318 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 48.3 p-90 -57.12 -31.63 65.5 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.516 -0.74 . . . . 0.0 110.705 -179.279 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -61.29 -39.92 92.21 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.853 -1.155 . . . . 0.0 108.989 179.669 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.41 -49.58 58.98 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.41 -0.806 . . . . 0.0 109.005 179.771 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 79.3 mtm -60.72 -40.56 92.78 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.974 -1.079 . . . . 0.0 109.086 179.369 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.461 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -57.81 -47.3 83.01 Favored 'General case' 0 C--N 1.303 -1.432 0 C-N-CA 119.465 -0.894 . . . . 0.0 109.308 179.882 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 42.0 m -70.26 -35.63 73.91 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.303 -0.873 . . . . 0.0 110.241 -179.937 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 66.8 t0 -60.69 -42.24 96.76 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.031 -1.043 . . . . 0.0 110.446 -178.791 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -109.46 1.28 19.75 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 121.313 -0.867 . . . . 0.0 110.142 -179.584 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.461 ' N ' ' O ' ' B' ' 23' ' ' ALA . 66.5 m-20 55.22 49.88 16.28 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.347 -0.846 . . . . 0.0 109.677 179.985 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 77.0 mt -114.06 152.5 45.85 Favored Pre-proline 0 N--CA 1.502 2.128 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 179.767 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_endo -61.3 144.97 98.84 Favored 'Trans proline' 0 N--CA 1.497 1.734 0 C-N-CA 121.937 1.758 . . . . 0.0 111.769 -179.898 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . 0.404 ' O ' ' CG ' ' B' ' 34' ' ' LYS . 38.4 Cg_exo -40.17 -34.5 1.03 Allowed 'Trans proline' 0 N--CA 1.491 1.359 0 C-N-CA 122.302 2.002 . . . . 0.0 112.473 -179.364 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 87.1 t -55.75 -49.81 71.99 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.639 0 O-C-N 121.36 -0.837 . . . . 0.0 110.325 -178.508 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 57.1 t -66.28 -47.79 83.2 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.915 0 C-N-CA 118.56 -1.256 . . . . 0.0 109.538 -179.194 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.97 -44.77 79.65 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.477 -0.764 . . . . 0.0 110.211 -179.801 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.404 ' CG ' ' O ' ' B' ' 30' ' ' PRO . 1.1 mmmp? -60.06 -37.12 78.94 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.032 -1.043 . . . . 0.0 109.735 179.876 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.2 tm-20 -61.08 -39.87 91.55 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.064 -1.023 . . . . 0.0 110.353 -178.883 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 54.4 mt -59.65 -39.69 80.24 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 121.109 -0.994 . . . . 0.0 108.376 -179.834 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 60.2 t -62.65 -39.44 84.68 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 179.372 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . 0.522 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -60.63 -31.84 71.02 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.657 -0.652 . . . . 0.0 110.121 179.195 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 38.0 m -78.73 -26.32 44.68 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.011 -1.056 . . . . 0.0 109.703 -179.593 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 41.5 t -81.38 103.57 11.23 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.426 -0.796 . . . . 0.0 109.503 -179.982 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -60.15 -31.26 69.93 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.3 -0.875 . . . . 0.0 110.289 -179.91 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -69.92 -40.89 75.29 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.894 -1.129 . . . . 0.0 111.187 -178.684 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 70.6 m -84.01 -25.67 29.77 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 120.827 -1.171 . . . . 0.0 109.792 179.959 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . 0.522 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 14.9 tt0 -74.65 -73.32 0.24 Allowed 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 107.436 -1.32 . . . . 0.0 107.436 179.26 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 42.6 mt -83.02 107.54 15.69 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 107.161 -1.422 . . . . 0.0 107.161 177.736 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -87.69 0.31 55.87 Favored 'General case' 0 C--N 1.298 -1.663 0 O-C-N 121.238 -0.914 . . . . 0.0 109.478 -179.474 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.79 -4.39 63.4 Favored Glycine 0 N--CA 1.488 2.152 0 N-CA-C 109.629 -1.388 . . . . 0.0 109.629 179.591 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -72.48 -13.07 61.34 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.924 -1.339 . . . . 0.0 108.752 179.27 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . 0.427 ' O ' ' O ' ' A' ' 49' ' ' ALA . . . -89.43 -12.14 41.09 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.466 -0.771 . . . . 0.0 109.545 179.509 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 88.7 mmm -86.0 143.86 27.9 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 120.999 -1.063 . . . . 0.0 108.82 -179.76 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 51' ' ' HIS . . . . . 0.414 ' ND1' ' O ' ' B' ' 51' ' ' HIS . 56.3 t-80 57.14 46.3 19.22 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.21 -0.931 . . . . 0.0 109.658 -179.788 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -68.85 132.08 26.24 Favored Glycine 0 N--CA 1.488 2.126 0 N-CA-C 108.699 -1.76 . . . . 0.0 108.699 179.349 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . 0.428 ' O ' ' O ' ' B' ' 54' ' ' VAL . 87.4 mt-30 48.26 -153.27 0.1 Allowed 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.962 -1.316 . . . . 0.0 109.108 -179.927 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.428 ' O ' ' O ' ' B' ' 53' ' ' GLN . 3.9 t 56.89 165.25 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 O-C-N 120.963 -1.085 . . . . 0.0 109.439 179.523 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 59.6 t0 . . . . . 0 N--CA 1.495 1.824 0 O-C-N 121.115 -0.991 . . . . 0.0 109.705 -179.737 . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 . . . . . 0 N--CA 1.492 1.652 0 CA-C-O 121.841 0.829 . . . . 0.0 109.858 . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 20.0 mt -69.04 -31.85 70.93 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.572 -0.705 . . . . 0.0 111.155 -177.742 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.506 ' OD1' ' N ' ' A' ' 3' ' ' ASP . 22.0 p-10 -65.82 -57.71 7.31 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.771 -1.205 . . . . 0.0 111.169 -178.759 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.8 -41.74 97.75 Favored Glycine 0 N--CA 1.491 2.313 0 N-CA-C 110.398 -1.081 . . . . 0.0 110.398 -179.089 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.422 HD11 HG11 ' B' ' 31' ' ' VAL . 93.4 mt -60.08 -40.42 83.23 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.799 0 O-C-N 120.939 -1.33 . . . . 0.0 110.409 -179.721 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 61.8 t0 -54.93 -45.87 74.87 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 120.773 -1.205 . . . . 0.0 109.33 -179.135 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 48.1 mtmt -70.1 -41.51 73.94 Favored 'General case' 0 N--CA 1.488 1.455 0 C-N-CA 118.978 -1.089 . . . . 0.0 109.358 179.412 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.98 -36.69 80.45 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.514 -0.742 . . . . 0.0 109.277 179.662 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -57.3 -40.08 77.08 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.345 -0.847 . . . . 0.0 109.777 -179.588 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -63.43 -44.21 95.21 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.093 -1.004 . . . . 0.0 109.32 179.401 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 23.9 tp10 -59.91 -39.94 87.12 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.177 -0.952 . . . . 0.0 108.9 179.288 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.512 ' O ' ' N ' ' A' ' 16' ' ' HIS . 13.0 t60 -60.54 -47.28 86.87 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.218 -0.926 . . . . 0.0 109.897 179.4 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -60.7 -40.38 92.02 Favored 'General case' 0 C--N 1.298 -1.647 0 O-C-N 121.383 -0.823 . . . . 0.0 109.958 -179.21 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -64.03 -30.3 71.38 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.147 -0.971 . . . . 0.0 113.066 -179.089 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -140.59 -7.31 1.13 Allowed 'General case' 0 N--CA 1.506 2.362 0 O-C-N 120.572 -1.33 . . . . 0.0 112.62 -176.999 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.512 ' N ' ' O ' ' A' ' 12' ' ' HIS . 90.3 m-70 55.07 42.38 30.91 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 107.133 -1.432 . . . . 0.0 107.133 -177.559 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 92.1 p -66.52 157.64 31.7 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.652 -0.655 . . . . 0.0 110.476 -178.548 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -71.89 157.59 37.58 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.48 -0.762 . . . . 0.0 109.062 179.669 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 46.0 p-90 -56.42 -30.96 63.45 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.115 -0.991 . . . . 0.0 110.523 -179.563 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -61.37 -40.56 94.76 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.834 -1.166 . . . . 0.0 109.594 179.875 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.65 -48.12 64.82 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.264 -0.897 . . . . 0.0 109.218 -179.591 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 78.3 mtm -62.24 -40.58 96.65 Favored 'General case' 0 C--N 1.301 -1.51 0 C-N-CA 119.63 -0.828 . . . . 0.0 109.942 -179.82 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.504 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -58.69 -45.56 89.18 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.15 -0.969 . . . . 0.0 109.561 -179.628 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 25.5 t -70.2 -36.66 74.76 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.303 -0.873 . . . . 0.0 110.298 -179.637 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -60.36 -42.08 95.01 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.416 -0.802 . . . . 0.0 110.189 -178.893 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -108.87 1.07 20.58 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.528 -0.732 . . . . 0.0 110.31 -179.832 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.504 ' N ' ' O ' ' A' ' 23' ' ' ALA . 95.5 m-20 55.75 49.95 15.2 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.165 -0.959 . . . . 0.0 110.27 179.405 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 77.8 mt -116.11 150.62 45.48 Favored Pre-proline 0 N--CA 1.497 1.907 0 N-CA-C 107.609 -1.256 . . . . 0.0 107.609 179.4 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -60.52 152.97 64.35 Favored 'Trans proline' 0 C--N 1.307 -1.614 0 C-N-CA 121.411 1.407 . . . . 0.0 111.484 -179.667 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -45.55 -37.51 15.25 Favored 'Trans proline' 0 C--N 1.31 -1.467 0 C-N-CA 121.923 1.749 . . . . 0.0 112.053 179.869 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.464 HG11 HD11 ' B' ' 5' ' ' ILE . 60.0 t -53.77 -49.27 58.83 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.792 0 O-C-N 120.837 -1.164 . . . . 0.0 110.685 -178.272 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 58.5 t -66.84 -48.74 78.9 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.768 0 C-N-CA 118.383 -1.327 . . . . 0.0 109.442 -178.581 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.61 -42.16 87.27 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.32 -0.863 . . . . 0.0 110.027 179.689 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.0 mtpm? -62.27 -36.02 80.77 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 120.765 -1.209 . . . . 0.0 109.889 179.715 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.433 ' HG3' HG13 ' B' ' 31' ' ' VAL . 15.5 tm-20 -60.05 -38.63 83.36 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 121.255 -0.903 . . . . 0.0 109.385 -179.008 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 69.0 mt -59.84 -39.89 81.2 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 120.957 -1.089 . . . . 0.0 108.807 179.428 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 92.5 t -63.25 -40.03 87.49 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 178.944 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.04 -30.56 70.39 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.428 -0.795 . . . . 0.0 109.531 179.446 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 64.1 m -81.45 -24.04 37.09 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.181 -0.949 . . . . 0.0 109.692 -179.544 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 42.7 t -85.1 105.78 16.09 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.09 -1.006 . . . . 0.0 109.585 -179.872 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -62.32 -29.91 70.78 Favored 'General case' 0 C--N 1.301 -1.542 0 C-N-CA 120.072 -0.651 . . . . 0.0 109.882 179.907 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -70.45 -41.32 72.98 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.144 -0.973 . . . . 0.0 110.615 -178.922 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 85.0 m -87.24 -25.78 23.82 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 120.861 -1.149 . . . . 0.0 110.356 -179.986 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -72.61 -70.15 0.36 Allowed 'General case' 0 N--CA 1.498 1.974 0 O-C-N 120.995 -1.065 . . . . 0.0 109.089 -179.043 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 38.8 mt -81.31 107.47 14.12 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 179.578 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 52.2 tttp -90.26 -72.37 0.57 Allowed 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.24 -0.912 . . . . 0.0 109.463 -179.547 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -154.59 -125.31 0.97 Allowed Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.404 -1.479 . . . . 0.0 109.404 -179.705 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 54.33 29.07 10.22 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.642 -0.916 . . . . 0.0 109.352 -179.756 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.509 ' O ' ' ND1' ' A' ' 51' ' ' HIS . . . -84.99 139.55 31.71 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.297 -0.877 . . . . 0.0 109.52 179.787 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 53.9 mtt -64.93 139.97 58.82 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.48 -0.762 . . . . 0.0 109.237 179.934 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.509 ' ND1' ' O ' ' A' ' 49' ' ' ALA . 16.7 p-80 -170.4 104.19 0.28 Allowed 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.231 -0.918 . . . . 0.0 108.712 179.824 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -65.37 160.96 42.76 Favored Glycine 0 N--CA 1.489 2.214 0 N-CA-C 109.558 -1.417 . . . . 0.0 109.558 -179.423 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -84.83 13.84 5.44 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.171 -1.194 . . . . 0.0 108.468 179.854 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.561 HG12 ' H ' ' A' ' 55' ' ' ASP . 1.6 t 46.17 -149.75 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.769 0 O-C-N 121.522 -0.736 . . . . 0.0 109.375 179.831 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.561 ' H ' HG12 ' A' ' 54' ' ' VAL . 48.6 m-20 . . . . . 0 N--CA 1.483 1.187 0 CA-C-O 118.157 -0.925 . . . . 0.0 108.85 179.717 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 . . . . . 0 N--CA 1.492 1.633 0 CA-C-O 121.821 0.819 . . . . 0.0 109.853 . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 20.3 mt -69.58 -31.06 68.99 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.475 -0.765 . . . . 0.0 110.737 -177.912 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . 0.52 ' OD1' ' N ' ' B' ' 3' ' ' ASP . 18.6 p-10 -65.21 -58.39 6.09 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.854 -1.154 . . . . 0.0 111.226 -178.921 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.88 -41.14 97.61 Favored Glycine 0 N--CA 1.499 2.871 0 N-CA-C 110.282 -1.127 . . . . 0.0 110.282 -178.626 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.464 HD11 HG11 ' A' ' 31' ' ' VAL . 92.6 mt -60.71 -39.91 83.15 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 O-C-N 121.263 -1.139 . . . . 0.0 110.349 -179.627 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -55.85 -45.23 78.5 Favored 'General case' 0 C--N 1.298 -1.642 0 C-N-CA 118.933 -1.107 . . . . 0.0 108.999 -178.906 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 47.1 mtmt -69.92 -42.24 73.57 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.148 -0.97 . . . . 0.0 109.232 178.941 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.45 -37.32 82.77 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 121.354 -0.841 . . . . 0.0 109.605 -179.954 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 55.4 tt0 -56.73 -41.99 78.44 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.516 -0.74 . . . . 0.0 109.678 -179.402 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -62.57 -42.81 99.78 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.124 -0.985 . . . . 0.0 108.988 179.554 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 28.1 tp10 -60.9 -40.03 91.54 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 120.897 -1.127 . . . . 0.0 108.619 178.934 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . 0.531 ' O ' ' N ' ' B' ' 16' ' ' HIS . 12.6 t60 -60.41 -47.36 86.44 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.235 -0.916 . . . . 0.0 109.858 179.806 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -60.26 -40.52 90.62 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.144 -0.973 . . . . 0.0 110.265 -179.717 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp -63.86 -30.44 71.53 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.331 -0.855 . . . . 0.0 112.746 -178.604 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -140.15 -8.94 1.16 Allowed 'General case' 0 N--CA 1.508 2.435 0 O-C-N 120.701 -1.249 . . . . 0.0 112.799 -177.109 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.531 ' N ' ' O ' ' B' ' 12' ' ' HIS . 90.3 m-70 55.77 43.35 27.95 Favored 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 107.175 -1.417 . . . . 0.0 107.175 -177.117 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 95.0 p -68.28 158.87 32.44 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.633 -0.667 . . . . 0.0 110.342 -178.618 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -73.0 157.93 36.45 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.378 -0.826 . . . . 0.0 109.43 179.886 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 43.4 p-90 -56.27 -30.1 62.0 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.338 -0.851 . . . . 0.0 110.653 -179.557 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -62.64 -40.13 96.05 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.067 -1.021 . . . . 0.0 109.665 -179.926 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.08 -48.88 61.57 Favored 'General case' 0 C--N 1.297 -1.702 0 O-C-N 121.516 -0.74 . . . . 0.0 109.151 179.965 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 78.0 mtm -61.61 -40.08 93.55 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.512 -0.743 . . . . 0.0 109.794 -179.943 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.508 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -59.51 -45.47 91.64 Favored 'General case' 0 N--CA 1.49 1.566 0 C-N-CA 119.244 -0.982 . . . . 0.0 109.613 -179.649 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 32.8 t -69.94 -37.26 75.82 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.271 -0.893 . . . . 0.0 110.311 179.798 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -59.43 -41.76 90.29 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.256 -0.902 . . . . 0.0 109.843 -178.836 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -109.71 2.83 20.37 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.275 -0.891 . . . . 0.0 109.959 -179.757 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.508 ' N ' ' O ' ' B' ' 23' ' ' ALA . 97.8 m-20 53.35 49.84 18.85 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.294 -0.879 . . . . 0.0 110.089 179.39 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 77.3 mt -115.39 151.47 45.98 Favored Pre-proline 0 N--CA 1.497 1.913 0 N-CA-C 107.437 -1.32 . . . . 0.0 107.437 179.123 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -60.77 153.64 61.16 Favored 'Trans proline' 0 C--N 1.311 -1.429 0 C-N-CA 121.655 1.57 . . . . 0.0 111.664 -179.813 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_exo -46.19 -38.37 19.61 Favored 'Trans proline' 0 C--N 1.312 -1.377 0 C-N-CA 121.776 1.651 . . . . 0.0 111.897 179.619 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.433 HG13 ' HG3' ' A' ' 35' ' ' GLU . 61.4 t -53.0 -49.32 49.84 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.789 0 O-C-N 120.959 -1.088 . . . . 0.0 110.791 -178.653 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 59.9 t -67.21 -48.62 77.86 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.71 0 C-N-CA 118.188 -1.405 . . . . 0.0 109.47 -178.656 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.78 -41.26 87.98 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.087 -1.008 . . . . 0.0 110.057 -179.806 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 10.0 mtpm? -62.48 -36.43 82.48 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.905 -1.122 . . . . 0.0 109.997 179.397 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . 0.452 ' HG3' HG13 ' A' ' 31' ' ' VAL . 15.7 tm-20 -59.8 -37.59 79.55 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 120.999 -1.063 . . . . 0.0 109.52 -179.126 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 65.2 mt -59.87 -40.1 81.84 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.103 -0.998 . . . . 0.0 108.803 179.098 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 86.1 t -64.06 -39.7 86.39 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.403 0 N-CA-C 108.493 -0.929 . . . . 0.0 108.493 179.051 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . 0.447 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -61.22 -30.05 70.2 Favored 'General case' 0 C--N 1.3 -1.561 0 C-N-CA 119.801 -0.76 . . . . 0.0 109.496 179.534 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 56.0 m -81.53 -23.44 37.26 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.902 -1.124 . . . . 0.0 109.76 -179.962 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 42.4 t -85.65 104.52 15.46 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.182 -0.949 . . . . 0.0 109.776 -179.759 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 58.7 m-20 -60.8 -30.67 70.2 Favored 'General case' 0 C--N 1.299 -1.625 0 O-C-N 121.353 -0.842 . . . . 0.0 110.094 179.884 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -70.15 -42.2 72.85 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.012 -1.055 . . . . 0.0 110.782 -178.791 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 90.2 m -85.87 -24.99 26.46 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.881 -1.137 . . . . 0.0 110.263 -179.716 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . 0.447 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 7.0 tt0 -73.98 -70.4 0.39 Allowed 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.919 -1.113 . . . . 0.0 109.408 -179.277 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 35.0 mt -80.72 108.42 14.36 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 108.212 -1.032 . . . . 0.0 108.212 179.586 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 51.5 tttp -90.76 -72.7 0.56 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.289 -0.882 . . . . 0.0 109.272 -179.767 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -155.19 -124.3 0.88 Allowed Glycine 0 N--CA 1.494 2.504 0 N-CA-C 109.507 -1.437 . . . . 0.0 109.507 179.419 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 54.0 27.23 7.19 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.357 -1.084 . . . . 0.0 108.922 -179.663 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . 0.438 ' O ' ' ND1' ' B' ' 51' ' ' HIS . . . -82.45 140.39 33.43 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.287 -0.883 . . . . 0.0 109.067 179.527 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 56.2 mtt -65.95 140.7 58.34 Favored 'General case' 0 C--N 1.299 -1.611 0 C-N-CA 119.939 -0.704 . . . . 0.0 109.638 -179.859 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 51' ' ' HIS . . . . . 0.438 ' ND1' ' O ' ' B' ' 49' ' ' ALA . 17.2 p-80 -170.18 104.85 0.3 Allowed 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.261 -0.899 . . . . 0.0 109.041 179.511 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -65.43 159.9 44.35 Favored Glycine 0 N--CA 1.486 1.982 0 N-CA-C 109.546 -1.422 . . . . 0.0 109.546 -179.71 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -83.97 12.24 6.55 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.376 -1.073 . . . . 0.0 108.728 179.79 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.548 HG12 ' H ' ' B' ' 55' ' ' ASP . 1.5 t 46.26 -150.2 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 O-C-N 121.684 -0.635 . . . . 0.0 109.375 -179.983 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.548 ' H ' HG12 ' B' ' 54' ' ' VAL . 31.6 m-20 . . . . . 0 N--CA 1.49 1.539 0 CA-C-O 117.851 -1.071 . . . . 0.0 110.046 -179.643 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_